#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hps s ILE 19 N 0.00 3.63 -0.16 1.09 -1.09 -1.26 -5.00 121.20 118.41 3hps s ILE 19 Ca 0.00 0.81 -0.01 0.00 -2.23 0.00 0.00 60.65 59.22 3hps s ILE 19 Cb 0.00 -3.52 -0.01 0.00 -1.58 0.00 0.00 42.46 37.35 3hps s ILE 19 CO 0.00 -0.06 -0.12 -0.69 -1.23 0.00 0.00 174.94 172.84 3hps s VAL 20 N 3.78 3.02 0.15 2.92 1.01 -1.26 -5.09 120.40 124.93 3hps s VAL 20 Ca 0.71 -0.65 -0.33 0.00 0.00 0.00 0.00 61.98 61.71 3hps s VAL 20 Cb -0.32 -2.29 -0.13 0.00 0.00 0.00 0.00 36.38 33.64 3hps s VAL 20 CO 0.28 0.50 1.69 1.17 0.00 0.00 0.00 175.10 178.74 3hps n LYS 21 N 3.94 2.44 -1.62 2.72 4.81 -1.26 -4.89 118.16 124.29 3hps n LYS 21 Ca -0.18 0.88 -0.46 0.00 -0.87 0.00 0.00 58.31 57.68 3hps n LYS 21 Cb 0.52 -2.70 -0.03 0.00 0.02 0.00 0.00 35.03 32.84 3hps n LYS 21 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3hps n PRO 22 N 4.21 1.61 0.00 1.64 -0.02 -1.26 -4.89 135.00 136.29 3hps n PRO 22 Ca 0.17 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3hps n PRO 22 Cb 0.32 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3hps n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hps n ALA 23 N 1.48 1.04 -1.84 3.55 0.00 -1.04 -4.67 120.51 119.03 3hps n ALA 23 Ca 0.12 -0.32 -0.32 0.00 0.00 0.00 0.00 53.44 52.93 3hps n ALA 23 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.73 3hps n ALA 23 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hps s GLY 24 N -0.10 1.84 0.32 0.00 0.00 -0.36 -4.80 107.32 104.22 3hps s GLY 24 Ca 0.00 0.04 -0.29 0.00 0.00 0.00 0.00 44.72 44.47 3hps s GLY 24 CO 0.00 0.32 1.44 -1.05 0.00 0.00 0.00 173.10 173.81 3hps n PRO 25 N -2.28 2.39 -0.71 2.90 -0.02 -1.26 -0.66 135.00 135.36 3hps n PRO 25 Ca 0.06 0.84 -0.31 0.00 -2.02 0.00 0.00 63.50 62.07 3hps n PRO 25 Cb 0.54 -2.53 0.17 0.00 -0.02 0.00 0.00 33.50 31.66 3hps n PRO 25 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3hps s PRO 26 N -1.26 1.03 0.58 0.52 0.02 -1.26 -4.02 135.00 130.61 3hps s PRO 26 Ca 0.60 1.58 -0.20 0.00 0.02 0.00 0.00 61.00 63.01 3hps s PRO 26 Cb -0.54 -1.73 -0.04 0.00 0.02 0.00 0.00 34.50 32.21 3hps s PRO 26 CO 0.56 -2.63 1.23 1.03 -0.33 0.00 0.00 177.00 176.87 3hps s ARG 27 N -4.60 3.03 0.20 5.54 1.81 -1.26 -4.93 118.95 118.74 3hps s ARG 27 Ca 0.67 1.91 -0.33 0.00 -1.72 0.00 0.00 55.73 56.26 3hps s ARG 27 Cb -0.23 -2.01 -0.13 0.00 -0.45 0.00 0.00 34.95 32.12 3hps s ARG 27 CO 0.57 -1.18 1.58 1.33 -0.68 0.00 0.00 175.30 176.92 3hps n VAL 28 N -1.43 0.25 -0.84 3.52 0.24 -1.26 -1.56 118.33 117.26 3hps n VAL 28 Ca 0.13 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 3hps n VAL 28 Cb 0.49 -1.65 0.00 0.00 -1.47 0.00 0.00 33.84 31.21 3hps n VAL 28 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hps n GLY 29 N 3.19 1.32 3.69 7.63 0.00 -1.26 -5.01 105.19 114.75 3hps n GLY 29 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 3hps n GLY 29 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hps n GLN 30 N -2.00 2.45 -1.65 1.61 7.27 -0.60 -4.91 117.38 119.54 3hps n GLN 30 Ca 0.00 0.89 -0.38 0.00 0.07 0.00 0.00 57.00 57.58 3hps n GLN 30 Cb 0.00 -2.72 0.06 0.00 2.41 0.00 0.00 30.24 29.99 3hps n GLN 30 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 3hps n PRO 31 N 4.62 0.98 0.26 3.69 -0.02 -1.26 -4.90 135.00 138.37 3hps n PRO 31 Ca 0.18 0.38 0.11 0.00 -2.02 0.00 0.00 63.50 62.15 3hps n PRO 31 Cb 0.32 -2.28 0.70 0.00 -0.02 0.00 0.00 33.50 32.23 3hps n PRO 31 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hps h SER 32 N 0.53 0.00 -0.03 2.55 4.64 -2.02 -1.76 113.55 117.46 3hps h SER 32 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3hps h SER 32 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 3hps h SER 32 CO 0.52 0.11 0.00 -2.67 -0.87 0.00 0.00 176.83 173.91 3hps n TRP 33 N -3.93 0.03 -3.92 4.77 4.27 -1.26 -4.47 117.44 112.93 3hps n TRP 33 Ca -0.02 -0.02 -0.34 0.00 -3.89 0.00 0.00 57.50 53.23 3hps n TRP 33 Cb 0.20 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 30.01 3hps n TRP 33 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 3hps s ASN 34 N -1.70 4.93 -0.19 -0.67 3.84 -0.66 -4.99 114.94 115.50 3hps s ASN 34 Ca 0.34 -1.80 0.09 0.00 0.21 0.00 0.00 52.86 51.70 3hps s ASN 34 Cb 0.16 -1.71 0.58 0.00 -0.55 0.00 0.00 41.25 39.73 3hps s ASN 34 CO 0.26 -0.38 1.44 -0.81 -2.79 0.00 0.00 177.10 174.82 3hps n PRO 35 N 4.48 3.59 -2.02 0.43 -0.04 -1.26 -4.74 135.00 135.44 3hps n PRO 35 Ca -0.05 -2.27 -0.36 0.00 -0.04 0.00 0.00 63.50 60.78 3hps n PRO 35 Cb 0.42 -2.03 0.03 0.00 -0.04 0.00 0.00 33.50 31.87 3hps n PRO 35 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3hps s GLN 36 N -2.29 3.14 0.21 0.54 -0.21 -1.26 -5.02 119.66 114.76 3hps s GLN 36 Ca 0.40 1.88 0.09 0.00 0.02 0.00 0.00 55.36 57.74 3hps s GLN 36 Cb 0.31 -2.06 -0.04 0.00 1.00 0.00 0.00 33.01 32.21 3hps s GLN 36 CO 0.11 -1.09 -0.04 1.03 -2.12 0.00 0.00 175.29 173.18 3hps s ARG 37 N -3.16 2.23 0.29 2.91 1.81 -1.26 -4.50 118.95 117.28 3hps s ARG 37 Ca 0.74 -1.27 -0.29 0.00 -1.72 0.00 0.00 55.73 53.18 3hps s ARG 37 Cb -0.32 -2.21 -0.10 0.00 -0.45 0.00 0.00 34.95 31.87 3hps s ARG 37 CO 0.35 0.42 1.42 0.00 -0.68 0.00 0.00 175.30 176.81 3hps s ALA 38 N -1.92 3.59 0.74 2.13 0.00 0.17 -4.70 121.76 121.77 3hps s ALA 38 Ca 0.28 1.37 -0.10 0.00 0.00 0.00 0.00 51.96 53.51 3hps s ALA 38 Cb -0.08 -3.55 0.05 0.00 0.00 0.00 0.00 23.12 19.54 3hps s ALA 38 CO 0.18 -0.78 1.09 -1.54 0.00 0.00 0.00 175.76 174.71 3hps s SER 39 N 0.07 4.90 -0.23 0.00 1.04 -1.26 -1.22 113.70 117.00 3hps s SER 39 Ca 0.56 0.77 0.14 0.00 0.48 0.00 0.00 55.95 57.90 3hps s SER 39 Cb -0.42 -1.42 0.81 0.00 0.10 0.00 0.00 66.02 65.09 3hps s SER 39 CO 0.49 -1.62 1.74 -1.54 0.98 0.00 0.00 173.24 173.30 3hps n SER 40 N -3.07 5.65 -4.77 7.02 3.41 -1.26 -4.84 113.62 115.75 3hps n SER 40 Ca 0.07 -2.90 -0.41 0.00 -0.26 0.00 0.00 58.87 55.37 3hps n SER 40 Cb 0.60 -0.68 -0.02 0.00 -0.26 0.00 0.00 64.21 63.85 3hps n SER 40 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3hps s MET 41 N -2.70 4.31 -1.24 4.33 -1.94 -1.26 -4.88 119.30 115.92 3hps s MET 41 Ca 0.54 2.29 -0.17 0.00 -1.71 0.00 0.00 55.69 56.64 3hps s MET 41 Cb 0.41 -3.05 -0.02 0.00 2.01 0.00 0.00 34.83 34.18 3hps s MET 41 CO 0.17 -0.26 2.10 -0.35 -0.01 0.00 0.00 175.02 176.67 3hps n PRO 42 N 0.76 2.44 0.27 2.03 -0.04 -1.26 -4.71 135.00 134.48 3hps n PRO 42 Ca 0.00 -2.42 0.11 0.00 -0.04 0.00 0.00 63.50 61.15 3hps n PRO 42 Cb 0.41 -3.21 0.72 0.00 -0.04 0.00 0.00 33.50 31.39 3hps n PRO 42 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3hps h VAL 43 N 4.30 0.79 0.00 0.52 -1.51 -1.94 -2.41 116.25 116.00 3hps h VAL 43 Ca 0.51 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.76 3hps h VAL 43 Cb 0.67 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 3hps h VAL 43 CO 1.87 0.06 0.00 -0.46 -1.23 0.00 0.00 177.57 177.80 3hps n ASN 44 N -4.10 0.23 -0.27 4.19 6.94 -1.26 -1.71 115.26 119.27 3hps n ASN 44 Ca -0.03 0.61 0.14 0.00 -0.02 0.00 0.00 54.58 55.28 3hps n ASN 44 Cb 0.14 -0.64 0.62 0.00 -2.36 0.00 0.00 39.78 37.55 3hps n ASN 44 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3hps n ARG 45 N -1.81 1.23 -4.36 -3.83 1.74 -0.91 -4.85 116.66 103.87 3hps n ARG 45 Ca -0.00 -0.55 -0.19 0.00 -0.77 0.00 0.00 57.85 56.34 3hps n ARG 45 Cb 0.02 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 29.83 3hps n ARG 45 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3hps s TYR 46 N -2.15 0.88 0.20 -1.55 1.51 -0.70 -5.16 117.35 110.39 3hps s TYR 46 Ca 0.37 -0.20 0.11 0.00 -1.01 0.00 0.00 57.07 56.34 3hps s TYR 46 Cb 0.21 -0.55 -0.04 0.00 -0.11 0.00 0.00 41.96 41.46 3hps s TYR 46 CO 0.39 -0.01 -0.22 1.03 -1.11 0.00 0.00 175.55 175.63 3hps s ARG 47 N -0.41 1.60 0.62 -0.62 0.52 -1.26 -5.00 118.95 114.40 3hps s ARG 47 Ca 0.03 -1.51 -0.18 0.00 -0.52 0.00 0.00 55.73 53.54 3hps s ARG 47 Cb -0.05 -1.88 -0.03 0.00 0.52 0.00 0.00 34.95 33.51 3hps s ARG 47 CO -0.00 0.40 1.04 -2.30 0.02 0.00 0.00 175.30 174.46 3hps n PRO 48 N 0.17 0.91 -0.31 3.54 -0.02 -1.26 -4.68 135.00 133.35 3hps n PRO 48 Ca -0.12 0.36 0.03 0.00 -2.02 0.00 0.00 63.50 61.75 3hps n PRO 48 Cb 0.56 -2.26 0.17 0.00 -0.02 0.00 0.00 33.50 31.95 3hps n PRO 48 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3hps h PHE 49 N 0.42 0.96 -0.03 6.00 3.57 -1.95 -0.56 116.94 125.35 3hps h PHE 49 Ca -0.49 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.05 3hps h PHE 49 Cb 1.36 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.79 3hps h PHE 49 CO 0.38 0.43 0.02 0.00 -2.23 0.00 0.00 178.31 176.91 3hps h ALA 50 N 1.45 1.99 0.11 2.41 0.00 -1.91 0.11 119.26 123.41 3hps h ALA 50 Ca 0.41 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 55.01 3hps h ALA 50 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3hps h ALA 50 CO -0.22 -0.04 -1.54 0.93 0.00 0.00 0.00 179.25 178.38 3hps h GLU 51 N 0.00 0.22 -0.43 0.00 5.08 -1.50 -3.07 114.58 114.88 3hps h GLU 51 Ca 0.02 -0.38 -0.12 0.00 -1.00 0.00 0.00 59.36 57.87 3hps h GLU 51 Cb 0.06 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3hps h GLU 51 CO -0.00 1.07 -0.23 1.49 -1.00 0.00 0.00 179.01 180.34 3hps h GLU 52 N 0.06 0.88 0.00 2.33 4.57 -0.73 -3.44 114.58 118.24 3hps h GLU 52 Ca -0.24 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 57.57 3hps h GLU 52 Cb 2.01 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.56 3hps h GLU 52 CO 0.15 1.01 0.00 0.28 -1.18 0.00 0.00 179.01 179.28 3hps n VAL 53 N -4.11 0.00 -3.55 0.32 0.31 0.35 -5.00 118.33 106.66 3hps n VAL 53 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 3hps n VAL 53 Cb 0.45 -0.23 -0.02 0.00 -0.91 0.00 0.00 33.84 33.13 3hps n VAL 53 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3hps s GLU 54 N 0.00 0.97 0.68 5.55 -1.05 -1.16 -4.94 118.70 118.75 3hps s GLU 54 Ca 0.00 -0.40 -0.12 0.00 -0.15 0.00 0.00 54.97 54.30 3hps s GLU 54 Cb 0.00 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 3hps s GLU 54 CO 0.00 -0.43 1.06 -1.25 0.95 0.00 0.00 175.26 175.59 3hps s PRO 55 N -3.25 2.99 -0.25 -4.83 0.04 -1.22 -4.17 135.00 124.30 3hps s PRO 55 Ca 0.06 1.01 -0.39 0.00 0.04 0.00 0.00 61.00 61.72 3hps s PRO 55 Cb -0.01 -1.99 -0.15 0.00 0.04 0.00 0.00 34.50 32.39 3hps s PRO 55 CO -0.07 -1.06 1.80 -0.89 0.04 0.00 0.00 177.00 176.82 3hps n ILE 56 N -2.94 0.35 0.57 0.56 5.41 -1.26 -4.92 119.36 117.13 3hps n ILE 56 Ca 0.08 -0.07 0.12 0.00 1.00 0.00 0.00 62.75 63.88 3hps n ILE 56 Cb 0.53 -1.36 0.25 0.00 -0.71 0.00 0.00 39.64 38.35 3hps n ILE 56 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 3hps h ARG 57 N 7.89 0.00 -6.33 0.38 -0.00 -1.94 -3.48 114.38 110.90 3hps h ARG 57 Ca -0.46 0.00 -0.55 0.00 -0.00 0.00 0.00 59.98 58.98 3hps h ARG 57 Cb 1.31 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 31.25 3hps h ARG 57 CO 0.97 0.00 0.35 -1.17 -0.00 0.00 0.00 179.97 180.12 3hps s LEU 58 N -4.41 4.34 0.01 0.08 2.96 -1.26 -5.05 118.68 115.35 3hps s LEU 58 Ca 0.08 1.56 -0.00 0.00 -0.22 0.00 0.00 54.13 55.55 3hps s LEU 58 Cb 0.13 -3.49 -0.04 0.00 0.50 0.00 0.00 46.19 43.29 3hps s LEU 58 CO 0.68 -0.26 0.11 0.00 -1.32 0.00 0.00 176.35 175.55 3hps s ARG 59 N 1.12 3.13 -1.22 1.98 1.70 -1.26 -4.71 118.95 119.69 3hps s ARG 59 Ca 0.49 -0.49 -0.20 0.00 -0.47 0.00 0.00 55.73 55.06 3hps s ARG 59 Cb -0.20 -2.89 0.01 0.00 -0.57 0.00 0.00 34.95 31.29 3hps s ARG 59 CO 0.25 0.64 0.68 0.09 -1.08 0.00 0.00 175.30 175.87 3hps n ASN 60 N 0.96 -3.95 -4.68 -2.89 4.13 -1.26 -4.92 115.26 102.65 3hps n ASN 60 Ca -0.11 -1.10 -0.37 0.00 1.68 0.00 0.00 54.58 54.67 3hps n ASN 60 Cb 0.52 -2.83 0.06 0.00 -1.54 0.00 0.00 39.78 35.99 3hps n ASN 60 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 3hps n ARG 61 N -4.46 1.07 -0.00 3.52 1.85 -1.26 -4.96 116.66 112.42 3hps n ARG 61 Ca -0.14 0.42 0.00 0.00 -1.00 0.00 0.00 57.85 57.13 3hps n ARG 61 Cb 0.60 -2.37 -0.01 0.00 -1.05 0.00 0.00 32.46 29.64 3hps n ARG 61 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3hps n THR 62 N -1.74 0.00 -0.23 8.89 -2.24 -1.26 -4.78 114.28 112.91 3hps n THR 62 Ca 0.14 -0.09 0.18 0.00 -2.27 0.00 0.00 64.05 62.02 3hps n THR 62 Cb 0.47 0.55 0.50 0.00 -2.10 0.00 0.00 70.33 69.76 3hps n THR 62 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 3hps h TRP 63 N 0.00 0.54 0.00 4.78 5.08 -1.92 -1.43 115.95 123.01 3hps h TRP 63 Ca 0.00 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.99 3hps h TRP 63 Cb 0.04 -0.17 0.00 0.00 -3.00 0.00 0.00 29.16 26.03 3hps h TRP 63 CO 0.00 0.16 0.00 -1.35 -1.28 0.00 0.00 178.44 175.97 3hps h PRO 64 N 0.42 0.00 -0.13 0.12 0.11 -1.92 -2.39 132.00 128.22 3hps h PRO 64 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 3hps h PRO 64 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3hps h PRO 64 CO -0.17 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.37 3hps n ASP 65 N -2.60 2.97 -4.76 -2.05 8.00 -0.54 -4.95 116.55 112.63 3hps n ASP 65 Ca -0.01 -1.92 -0.36 0.00 0.71 0.00 0.00 54.79 53.21 3hps n ASP 65 Cb 0.12 -0.07 -0.08 0.00 -0.02 0.00 0.00 41.12 41.07 3hps n ASP 65 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3hps s ARG 66 N -1.69 3.39 -0.13 -1.24 0.52 -0.90 -5.09 118.95 113.81 3hps s ARG 66 Ca 0.29 -0.28 -0.01 0.00 -0.52 0.00 0.00 55.73 55.21 3hps s ARG 66 Cb 0.19 -3.05 -0.02 0.00 0.52 0.00 0.00 34.95 32.59 3hps s ARG 66 CO 0.28 0.64 -0.09 0.08 0.02 0.00 0.00 175.30 176.24 3hps s VAL 67 N -0.68 3.48 0.20 3.52 1.01 -1.26 -4.99 120.40 121.69 3hps s VAL 67 Ca 0.12 -0.52 -0.32 0.00 0.00 0.00 0.00 61.98 61.26 3hps s VAL 67 Cb -0.12 -2.48 -0.12 0.00 0.00 0.00 0.00 36.38 33.67 3hps s VAL 67 CO 0.02 0.53 1.71 -0.63 0.00 0.00 0.00 175.10 176.73 3hps s ILE 68 N 0.13 2.08 -0.02 2.22 1.01 -1.26 -4.90 121.20 120.45 3hps s ILE 68 Ca -0.04 0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.70 3hps s ILE 68 Cb -0.14 -3.04 0.05 0.00 0.01 0.00 0.00 42.46 39.35 3hps s ILE 68 CO 0.04 0.00 0.89 -0.90 0.00 0.00 0.00 174.94 174.97 3hps n ASP 69 N 3.98 1.25 -3.67 3.58 3.85 -1.26 -5.01 116.55 119.28 3hps n ASP 69 Ca 0.16 -1.92 -0.12 0.00 -0.71 0.00 0.00 54.79 52.19 3hps n ASP 69 Cb 0.35 -0.10 -0.06 0.00 -1.35 0.00 0.00 41.12 39.96 3hps n ASP 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hps s ARG 70 N -0.94 0.94 0.39 0.11 1.70 -1.26 -4.96 118.95 114.93 3hps s ARG 70 Ca 0.06 -0.42 -0.26 0.00 -0.47 0.00 0.00 55.73 54.64 3hps s ARG 70 Cb 0.05 0.42 -0.09 0.00 -0.57 0.00 0.00 34.95 34.76 3hps s ARG 70 CO 0.01 -0.33 1.22 0.00 -1.08 0.00 0.00 175.30 175.12 3hps s ALA 71 N -2.67 3.22 0.95 7.88 0.00 -1.26 -5.05 121.76 124.83 3hps s ALA 71 Ca -0.04 1.08 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 3hps s ALA 71 Cb -0.00 -3.42 0.16 0.00 0.00 0.00 0.00 23.12 19.85 3hps s ALA 71 CO -0.04 -0.64 1.19 -1.25 0.00 0.00 0.00 175.76 175.02 3hps s PRO 72 N -2.21 0.83 -0.04 0.00 0.04 -1.26 -5.00 135.00 127.36 3hps s PRO 72 Ca 0.56 0.03 -0.30 0.00 0.04 0.00 0.00 61.00 61.33 3hps s PRO 72 Cb -0.34 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 3hps s PRO 72 CO 0.43 -2.36 1.21 -1.17 0.04 0.00 0.00 177.00 175.16 3hps s LEU 73 N -6.04 4.29 0.07 -3.56 2.96 -0.91 -4.95 118.68 110.54 3hps s LEU 73 Ca 0.67 1.85 -0.08 0.00 -0.22 0.00 0.00 54.13 56.35 3hps s LEU 73 Cb -0.11 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.97 3hps s LEU 73 CO 0.53 -0.58 0.36 0.26 -1.32 0.00 0.00 176.35 175.60 3hps s TRP 74 N 2.09 3.56 -0.08 5.38 0.52 -1.26 -1.32 118.94 127.83 3hps s TRP 74 Ca 0.57 0.68 0.01 0.00 0.02 0.00 0.00 56.10 57.37 3hps s TRP 74 Cb -0.26 -2.08 0.02 0.00 -1.15 0.00 0.00 33.47 30.01 3hps s TRP 74 CO 0.23 0.53 -0.08 0.00 0.02 0.00 0.00 176.95 177.65 3hps s ALA 76 N 1.27 3.55 -0.20 0.00 0.00 -0.62 -1.89 121.76 123.87 3hps s ALA 76 Ca -0.04 -0.44 0.16 0.00 0.00 0.00 0.00 51.96 51.63 3hps s ALA 76 Cb -0.14 -2.61 0.52 0.00 0.00 0.00 0.00 23.12 20.88 3hps s ALA 76 CO -0.03 -0.20 1.42 1.33 0.00 0.00 0.00 175.76 178.29 3hps n VAL 77 N 4.12 2.32 -0.15 0.00 0.24 0.04 -1.16 118.33 123.74 3hps n VAL 77 Ca -0.08 -2.03 0.16 0.00 -2.04 0.00 0.00 64.34 60.34 3hps n VAL 77 Cb 0.51 -0.27 0.52 0.00 -1.47 0.00 0.00 33.84 33.13 3hps n VAL 77 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3hps h ASP 78 N 1.58 0.36 0.52 -1.34 5.19 -1.81 -0.94 116.42 119.97 3hps h ASP 78 Ca 0.04 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 3hps h ASP 78 Cb 1.48 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.94 3hps h ASP 78 CO 0.25 0.18 -0.09 0.18 -3.12 0.00 0.00 179.24 176.65 3hps n LEU 79 N -4.47 0.25 0.00 1.55 4.77 -1.25 -0.37 117.00 117.49 3hps n LEU 79 Ca 0.14 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 3hps n LEU 79 Cb 0.55 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3hps n LEU 79 CO 0.33 0.05 0.00 -1.14 -1.33 0.00 0.00 177.39 175.30 3hps n ARG 80 N -1.18 0.00 -0.27 3.23 0.00 -0.71 -4.24 116.66 113.49 3hps n ARG 80 Ca 0.13 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.93 3hps n ARG 80 Cb 0.28 0.00 0.06 0.00 0.00 0.00 0.00 32.46 32.80 3hps n ARG 80 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 3hps h ASP 81 N 0.00 0.88 0.26 6.15 1.82 -1.45 -0.45 116.42 123.63 3hps h ASP 81 Ca 0.00 -0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.58 3hps h ASP 81 Cb 0.00 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 39.79 3hps h ASP 81 CO 0.00 0.67 -0.13 1.23 -1.61 0.00 0.00 179.24 179.40 3hps h GLY 82 N 1.02 -0.37 0.52 -0.78 0.00 -1.44 -3.17 103.07 98.86 3hps h GLY 82 Ca 0.27 0.14 0.07 0.00 0.00 0.00 0.00 47.33 47.81 3hps h GLY 82 CO -0.05 -0.13 0.23 -0.57 0.00 0.00 0.00 176.54 176.01 3hps h ASN 83 N -0.78 0.27 0.55 0.19 -1.24 -0.58 -1.21 115.58 112.78 3hps h ASN 83 Ca -0.04 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.03 3hps h ASN 83 Cb 0.51 0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.58 3hps h ASN 83 CO 0.06 0.17 0.00 1.67 -1.29 0.00 0.00 177.43 178.04 3hps n GLN 84 N -4.96 0.12 -0.06 6.67 -0.06 -0.19 -2.40 117.38 116.51 3hps n GLN 84 Ca 0.07 0.40 0.12 0.00 -2.00 0.00 0.00 57.00 55.59 3hps n GLN 84 Cb 0.22 -1.75 0.36 0.00 -4.06 0.00 0.00 30.24 25.00 3hps n GLN 84 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3hps n ALA 85 N -1.68 2.51 -2.55 1.69 0.00 -0.46 -4.95 120.51 115.08 3hps n ALA 85 Ca 0.02 -0.59 -0.37 0.00 0.00 0.00 0.00 53.44 52.50 3hps n ALA 85 Cb 0.18 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.53 3hps n ALA 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hps s LEU 86 N -1.77 4.44 0.24 0.00 1.43 -1.01 -4.88 118.68 117.13 3hps s LEU 86 Ca 0.34 0.88 -0.01 0.00 -1.03 0.00 0.00 54.13 54.31 3hps s LEU 86 Cb 0.20 -2.65 0.29 0.00 0.03 0.00 0.00 46.19 44.05 3hps s LEU 86 CO 0.30 0.29 1.67 -0.29 0.23 0.00 0.00 176.35 178.55 3hps h ILE 87 N 3.51 1.27 -3.55 -0.59 -0.00 -1.90 -3.35 117.51 112.90 3hps h ILE 87 Ca -0.51 -1.31 -0.71 0.00 -0.00 0.00 0.00 64.86 62.33 3hps h ILE 87 Cb 1.21 1.27 -0.34 0.00 -0.00 0.00 0.00 36.82 38.97 3hps h ILE 87 CO 0.62 0.43 -0.35 -1.81 -0.00 0.00 0.00 178.15 177.04 3hps s ASP 88 N -6.78 5.41 0.84 2.19 1.01 -1.26 -5.10 116.67 112.98 3hps s ASP 88 Ca -0.08 -2.68 -0.11 0.00 0.71 0.00 0.00 52.55 50.39 3hps s ASP 88 Cb 0.13 -1.89 0.10 0.00 1.01 0.00 0.00 42.92 42.27 3hps s ASP 88 CO 0.81 -0.43 1.10 -2.16 0.21 0.00 0.00 175.17 174.71 3hps s PRO 89 N 0.19 1.68 0.13 8.23 0.04 -1.26 -4.87 135.00 139.15 3hps s PRO 89 Ca 0.15 1.22 -0.31 0.00 0.04 0.00 0.00 61.00 62.10 3hps s PRO 89 Cb -0.20 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 3hps s PRO 89 CO -0.04 -2.06 1.52 -1.64 0.04 0.00 0.00 177.00 174.83 3hps s MET 90 N -4.83 4.24 1.04 4.56 -1.94 -1.26 -5.01 119.30 116.11 3hps s MET 90 Ca 0.63 2.26 -0.12 0.00 -1.71 0.00 0.00 55.69 56.75 3hps s MET 90 Cb -0.19 -3.28 0.21 0.00 2.01 0.00 0.00 34.83 33.58 3hps s MET 90 CO 0.57 -0.58 1.07 -1.54 -0.01 0.00 0.00 175.02 174.53 3hps s SER 91 N 1.39 2.07 0.30 3.03 1.04 -1.26 -4.73 113.70 115.55 3hps s SER 91 Ca 0.69 1.57 0.03 0.00 0.48 0.00 0.00 55.95 58.72 3hps s SER 91 Cb -0.40 -2.25 0.62 0.00 0.10 0.00 0.00 66.02 64.09 3hps s SER 91 CO 0.31 -3.53 1.84 -0.65 0.98 0.00 0.00 173.24 172.19 3hps h PRO 92 N -2.16 0.90 -0.47 4.02 0.11 -1.98 -0.87 132.00 131.55 3hps h PRO 92 Ca -0.55 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.49 3hps h PRO 92 Cb 1.31 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3hps h PRO 92 CO 0.51 0.59 0.22 0.00 -0.21 0.00 0.00 178.00 179.11 3hps h ALA 93 N 1.56 0.60 -0.42 -0.75 0.00 -2.00 -2.03 119.26 116.22 3hps h ALA 93 Ca 0.49 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 3hps h ALA 93 Cb 0.55 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3hps h ALA 93 CO -0.26 0.17 -0.15 0.00 0.00 0.00 0.00 179.25 179.02 3hps h ARG 94 N 0.61 0.83 -0.41 0.00 3.08 -1.77 -1.91 114.38 114.81 3hps h ARG 94 Ca 0.16 -0.34 0.06 0.00 0.07 0.00 0.00 59.98 59.93 3hps h ARG 94 Cb 0.13 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 3hps h ARG 94 CO -0.02 0.97 0.09 0.87 -1.07 0.00 0.00 179.97 180.81 3hps h LYS 95 N 0.65 0.21 -0.66 0.04 1.57 -1.08 -1.22 116.57 116.08 3hps h LYS 95 Ca 0.10 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 3hps h LYS 95 Cb 0.69 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 3hps h LYS 95 CO 0.05 0.14 0.26 0.00 -0.57 0.00 0.00 179.45 179.33 3hps h ARG 96 N 0.22 0.97 -0.65 3.15 2.47 -1.22 -0.21 114.38 119.11 3hps h ARG 96 Ca 0.20 -0.16 -0.07 0.00 -1.26 0.00 0.00 59.98 58.69 3hps h ARG 96 Cb 0.24 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 3hps h ARG 96 CO -0.26 0.80 0.13 -0.09 0.56 0.00 0.00 179.97 181.11 3hps h ARG 97 N 0.95 1.07 -0.26 0.04 9.65 -1.01 0.18 114.38 125.00 3hps h ARG 97 Ca 0.22 -0.27 -0.10 0.00 -1.10 0.00 0.00 59.98 58.73 3hps h ARG 97 Cb 0.19 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 28.64 3hps h ARG 97 CO -0.02 0.97 -0.24 1.98 2.80 0.00 0.00 179.97 185.47 3hps h MET 98 N 0.99 0.62 -0.35 0.20 4.05 -0.85 -1.42 114.93 118.18 3hps h MET 98 Ca 0.20 -0.32 0.04 0.00 -0.28 0.00 0.00 59.70 59.34 3hps h MET 98 Cb 0.41 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.18 3hps h MET 98 CO 0.01 0.92 0.13 0.35 0.23 0.00 0.00 176.91 178.55 3hps h PHE 99 N 0.35 0.23 -0.86 1.39 3.57 -0.88 -0.50 116.94 120.23 3hps h PHE 99 Ca 0.04 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 3hps h PHE 99 Cb 0.79 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 3hps h PHE 99 CO 0.07 0.10 0.43 -0.44 -2.23 0.00 0.00 178.31 176.25 3hps h ASP 100 N 0.28 1.12 -0.32 0.41 3.32 -0.84 -1.40 116.42 118.99 3hps h ASP 100 Ca 0.16 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3hps h ASP 100 Cb 0.12 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3hps h ASP 100 CO -0.16 0.93 0.12 0.25 -1.72 0.00 0.00 179.24 178.66 3hps h LEU 101 N 1.23 0.46 -0.43 1.55 5.85 -0.69 -0.42 115.31 122.85 3hps h LEU 101 Ca 0.30 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3hps h LEU 101 Cb 0.10 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3hps h LEU 101 CO -0.04 0.51 0.19 -0.07 -0.34 0.00 0.00 178.44 178.69 3hps h LEU 102 N 0.37 0.57 -0.32 2.25 3.38 -0.80 0.74 115.31 121.51 3hps h LEU 102 Ca 0.11 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.98 3hps h LEU 102 Cb 0.21 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3hps h LEU 102 CO -0.01 0.57 0.03 0.58 0.09 0.00 0.00 178.44 179.69 3hps h VAL 103 N 0.55 0.80 -0.02 1.22 2.07 -1.16 -1.88 116.25 117.82 3hps h VAL 103 Ca 0.14 -0.04 -0.11 0.00 0.82 0.00 0.00 66.70 67.51 3hps h VAL 103 Cb 0.16 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3hps h VAL 103 CO -0.01 0.02 -0.52 0.03 0.02 0.00 0.00 177.57 177.11 3hps h ARG 104 N 0.12 0.05 0.00 1.57 3.08 -0.35 -2.27 114.38 116.59 3hps h ARG 104 Ca 0.15 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 3hps h ARG 104 Cb 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 3hps h ARG 104 CO -0.23 0.56 -0.15 0.52 -1.07 0.00 0.00 179.97 179.60 3hps h MET 105 N 0.04 0.00 0.00 0.04 2.86 -0.76 -3.46 114.93 113.65 3hps h MET 105 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3hps h MET 105 Cb 0.93 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.59 3hps h MET 105 CO 0.07 0.15 0.00 0.41 1.06 0.00 0.00 176.91 178.60 3hps n GLY 106 N -0.89 1.32 3.75 8.32 0.00 -0.85 -1.05 105.19 115.79 3hps n GLY 106 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3hps n GLY 106 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hps s TYR 107 N -2.00 3.24 -0.43 1.61 1.51 -0.73 -4.90 117.35 115.65 3hps s TYR 107 Ca 0.00 1.34 0.11 0.00 -1.01 0.00 0.00 57.07 57.51 3hps s TYR 107 Cb 0.00 -3.59 -0.13 0.00 -0.11 0.00 0.00 41.96 38.14 3hps s TYR 107 CO 0.00 -1.71 0.43 1.63 -1.11 0.00 0.00 175.55 174.79 3hps n LYS 108 N 1.91 2.84 -3.97 -0.62 4.76 -1.26 -4.53 118.16 117.29 3hps n LYS 108 Ca 0.03 -0.02 -0.22 0.00 -2.87 0.00 0.00 58.31 55.24 3hps n LYS 108 Cb 0.43 -1.06 -0.17 0.00 -1.84 0.00 0.00 35.03 32.39 3hps n LYS 108 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3hps s GLU 109 N -2.17 0.79 -0.08 1.97 2.02 -1.26 -0.47 118.70 119.50 3hps s GLU 109 Ca 0.03 -0.02 -0.03 0.00 0.02 0.00 0.00 54.97 54.96 3hps s GLU 109 Cb 0.08 -0.96 0.04 0.00 0.10 0.00 0.00 34.13 33.40 3hps s GLU 109 CO 0.45 -0.19 0.14 0.42 0.02 0.00 0.00 175.26 176.10 3hps s ILE 110 N 1.45 -0.23 -0.40 -1.63 1.01 -1.08 -1.59 121.20 118.73 3hps s ILE 110 Ca -0.03 0.35 -0.25 0.00 0.00 0.00 0.00 60.65 60.73 3hps s ILE 110 Cb -0.13 -0.28 0.02 0.00 0.01 0.00 0.00 42.46 42.08 3hps s ILE 110 CO -0.03 0.14 0.88 -0.70 0.00 0.00 0.00 174.94 175.22 3hps s GLU 111 N 2.27 3.69 0.00 2.79 2.12 -0.30 -1.07 118.70 128.19 3hps s GLU 111 Ca 0.04 0.32 0.24 0.00 0.36 0.00 0.00 54.97 55.93 3hps s GLU 111 Cb -0.12 -3.85 0.40 0.00 0.26 0.00 0.00 34.13 30.82 3hps s GLU 111 CO -0.05 -1.02 1.38 1.33 -0.54 0.00 0.00 175.26 176.36 3hps n VAL 112 N 6.08 0.17 -1.65 3.70 0.24 0.32 -3.74 118.33 123.45 3hps n VAL 112 Ca 0.05 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 3hps n VAL 112 Cb 0.48 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 34.00 3hps n VAL 112 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hps n GLY 113 N 1.37 -0.30 2.44 7.63 0.00 -1.25 -4.78 105.19 110.29 3hps n GLY 113 Ca 0.16 -1.59 -0.25 0.00 0.00 0.00 0.00 46.02 44.35 3hps n GLY 113 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hps n PHE 114 N 7.29 2.14 0.29 1.61 -0.00 -1.26 -1.36 117.46 126.18 3hps n PHE 114 Ca 0.00 -3.91 0.19 0.00 -0.00 0.00 0.00 57.45 53.72 3hps n PHE 114 Cb 0.00 -0.47 0.80 0.00 -0.00 0.00 0.00 39.48 39.81 3hps n PHE 114 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 3hps h PRO 115 N 3.69 0.00 0.00 -7.13 0.13 -1.80 -0.95 132.00 125.93 3hps h PRO 115 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3hps h PRO 115 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3hps h PRO 115 CO 0.68 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.32 3hps n SER 116 N -3.09 0.80 -0.00 1.44 3.41 -1.26 -3.57 113.62 111.35 3hps n SER 116 Ca -0.00 0.59 0.06 0.00 -0.26 0.00 0.00 58.87 59.26 3hps n SER 116 Cb 0.26 -0.80 -0.08 0.00 -0.26 0.00 0.00 64.21 63.33 3hps n SER 116 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hps n ALA 117 N -1.79 3.26 -3.66 7.33 0.00 -0.40 -4.96 120.51 120.29 3hps n ALA 117 Ca 0.05 -0.33 -0.20 0.00 0.00 0.00 0.00 53.44 52.96 3hps n ALA 117 Cb 0.41 -0.44 -0.17 0.00 0.00 0.00 0.00 19.45 19.24 3hps n ALA 117 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hps s SER 118 N -2.54 1.21 0.25 0.00 0.15 -0.96 -5.03 113.70 106.79 3hps s SER 118 Ca 0.02 0.04 -0.04 0.00 0.70 0.00 0.00 55.95 56.67 3hps s SER 118 Cb 0.09 -0.05 0.29 0.00 -1.71 0.00 0.00 66.02 64.64 3hps s SER 118 CO 0.51 -0.26 1.77 -0.61 1.20 0.00 0.00 173.24 175.85 3hps h GLN 119 N 8.42 0.92 -0.81 5.44 5.75 -1.90 -0.70 115.11 132.23 3hps h GLN 119 Ca -0.13 -0.21 -0.02 0.00 -0.15 0.00 0.00 58.65 58.14 3hps h GLN 119 Cb 1.12 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 29.51 3hps h GLN 119 CO 0.17 0.84 0.43 1.79 -2.65 0.00 0.00 178.83 179.41 3hps h THR 120 N 0.87 1.24 -0.44 2.39 1.35 -1.95 0.64 112.91 117.01 3hps h THR 120 Ca 0.18 -0.62 -0.06 0.00 -0.55 0.00 0.00 66.41 65.37 3hps h THR 120 Cb 0.36 0.16 -0.02 0.00 -1.73 0.00 0.00 68.15 66.93 3hps h THR 120 CO 0.00 0.27 0.04 0.44 -0.25 0.00 0.00 175.52 176.03 3hps h ASP 121 N 1.13 0.73 -0.17 5.36 5.19 -1.82 -1.33 116.42 125.51 3hps h ASP 121 Ca 0.28 -0.28 0.05 0.00 -0.62 0.00 0.00 57.03 56.46 3hps h ASP 121 Cb 0.05 -0.19 -0.05 0.00 0.18 0.00 0.00 39.33 39.31 3hps h ASP 121 CO -0.04 0.82 -0.16 0.15 -3.12 0.00 0.00 179.24 176.89 3hps h PHE 122 N 0.60 -0.42 -0.95 4.55 3.57 -0.59 -1.17 116.94 122.54 3hps h PHE 122 Ca 0.13 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 3hps h PHE 122 Cb 0.43 0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 3hps h PHE 122 CO 0.03 -0.24 0.58 -0.44 -2.23 0.00 0.00 178.31 176.01 3hps h ASP 123 N -0.19 1.13 -0.53 0.41 3.32 -0.78 -1.52 116.42 118.25 3hps h ASP 123 Ca 0.11 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3hps h ASP 123 Cb 0.35 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3hps h ASP 123 CO -0.28 0.86 0.20 0.15 -1.72 0.00 0.00 179.24 178.45 3hps h PHE 124 N 1.30 0.83 -0.33 4.55 3.57 -0.71 0.10 116.94 126.25 3hps h PHE 124 Ca 0.34 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 3hps h PHE 124 Cb -0.07 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.41 3hps h PHE 124 CO 0.00 0.69 0.18 0.28 -2.23 0.00 0.00 178.31 177.23 3hps h VAL 125 N 0.72 1.14 -0.65 1.41 2.07 -0.92 -1.55 116.25 118.47 3hps h VAL 125 Ca 0.18 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.41 3hps h VAL 125 Cb 0.22 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 3hps h VAL 125 CO -0.01 0.14 0.33 0.03 0.02 0.00 0.00 177.57 178.08 3hps h ARG 126 N 0.41 0.59 0.26 1.57 2.47 -1.05 -1.94 114.38 116.69 3hps h ARG 126 Ca 0.12 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.80 3hps h ARG 126 Cb 0.06 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.23 3hps h ARG 126 CO -0.02 0.39 -0.22 1.49 0.56 0.00 0.00 179.97 182.17 3hps h GLU 127 N 0.60 -0.47 -0.24 0.04 4.81 -0.26 0.19 114.58 119.25 3hps h GLU 127 Ca 0.30 0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.47 3hps h GLU 127 Cb 0.25 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3hps h GLU 127 CO -0.21 -0.32 -0.24 -0.84 -0.73 0.00 0.00 179.01 176.67 3hps h ILE 128 N -0.49 1.26 0.15 2.32 3.07 -1.15 0.44 117.51 123.10 3hps h ILE 128 Ca -0.01 -1.22 -0.01 0.00 1.55 0.00 0.00 64.86 65.16 3hps h ILE 128 Cb 0.44 1.34 0.00 0.00 -0.27 0.00 0.00 36.82 38.33 3hps h ILE 128 CO -0.02 0.39 -0.07 0.40 -1.05 0.00 0.00 178.15 177.79 3hps h ILE 129 N 0.40 0.99 -0.08 0.16 2.04 -1.18 -1.92 117.51 117.92 3hps h ILE 129 Ca 0.06 -0.93 -0.04 0.00 1.00 0.00 0.00 64.86 64.95 3hps h ILE 129 Cb 0.64 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 3hps h ILE 129 CO 0.05 0.21 -0.13 -0.33 0.00 0.00 0.00 178.15 177.94 3hps h GLU 130 N -0.68 0.12 -0.00 2.37 5.08 -0.47 -2.06 114.58 118.95 3hps h GLU 130 Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3hps h GLU 130 Cb 0.50 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3hps h GLU 130 CO 0.03 0.25 -0.01 1.04 -1.00 0.00 0.00 179.01 179.33 3hps n GLN 131 N -4.32 0.49 -3.23 2.33 6.02 0.13 -4.90 117.38 113.90 3hps n GLN 131 Ca -0.02 -0.01 -0.23 0.00 -0.01 0.00 0.00 57.00 56.74 3hps n GLN 131 Cb 0.24 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.05 3hps n GLN 131 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hps n GLY 132 N 1.26 -0.50 0.11 1.08 0.00 -0.77 -4.92 105.19 101.44 3hps n GLY 132 Ca 0.15 0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.40 3hps n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hps n ALA 133 N -4.09 2.57 -3.14 4.61 0.00 -0.73 -4.85 120.51 114.88 3hps n ALA 133 Ca -0.06 -0.17 -0.37 0.00 0.00 0.00 0.00 53.44 52.83 3hps n ALA 133 Cb 0.60 -1.19 -0.13 0.00 0.00 0.00 0.00 19.45 18.73 3hps n ALA 133 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hps s ILE 134 N -1.95 4.08 0.72 0.00 1.01 -1.26 -5.06 121.20 118.75 3hps s ILE 134 Ca 0.22 -0.47 -0.16 0.00 0.00 0.00 0.00 60.65 60.24 3hps s ILE 134 Cb 0.11 -3.01 0.03 0.00 0.01 0.00 0.00 42.46 39.59 3hps s ILE 134 CO 0.17 0.20 1.19 -2.65 0.00 0.00 0.00 174.94 173.85 3hps n PRO 135 N 4.89 0.64 0.32 2.79 -0.02 -1.26 -4.88 135.00 137.48 3hps n PRO 135 Ca -0.15 0.28 0.20 0.00 -2.02 0.00 0.00 63.50 61.81 3hps n PRO 135 Cb 0.49 -2.43 1.10 0.00 -0.02 0.00 0.00 33.50 32.64 3hps n PRO 135 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3hps h ASP 136 N -0.17 0.00 -0.62 2.55 3.32 -1.99 -2.00 116.42 117.51 3hps h ASP 136 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3hps h ASP 136 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3hps h ASP 136 CO 0.49 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.11 3hps n ASP 137 N -3.26 4.13 -4.56 6.45 5.75 -1.26 -4.94 116.55 118.87 3hps n ASP 137 Ca -0.03 -2.24 -0.34 0.00 -0.01 0.00 0.00 54.79 52.18 3hps n ASP 137 Cb 0.13 -0.49 -0.11 0.00 -1.03 0.00 0.00 41.12 39.61 3hps n ASP 137 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3hps s VAL 138 N -1.44 3.93 -0.23 2.12 1.01 -0.75 -4.78 120.40 120.26 3hps s VAL 138 Ca 0.46 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 62.05 3hps s VAL 138 Cb 0.27 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.98 3hps s VAL 138 CO 0.26 0.54 -0.08 -0.89 0.00 0.00 0.00 175.10 174.93 3hps s THR 139 N -0.17 2.90 0.58 3.92 2.01 0.38 -4.78 115.64 120.48 3hps s THR 139 Ca 0.03 -0.85 -0.15 0.00 0.31 0.00 0.00 61.69 61.03 3hps s THR 139 Cb -0.13 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 3hps s THR 139 CO 0.02 0.32 1.04 0.27 -0.69 0.00 0.00 174.62 175.58 3hps s ILE 140 N 1.37 4.04 -0.03 1.82 -4.36 -1.26 -2.64 121.20 120.14 3hps s ILE 140 Ca 0.03 0.93 0.02 0.00 -0.26 0.00 0.00 60.65 61.37 3hps s ILE 140 Cb -0.15 -3.48 0.00 0.00 1.25 0.00 0.00 42.46 40.08 3hps s ILE 140 CO -0.05 -0.60 -0.09 -1.58 0.24 0.00 0.00 174.94 172.86 3hps s GLN 141 N -4.18 0.92 -0.05 0.37 0.74 -0.23 -0.69 119.66 116.54 3hps s GLN 141 Ca 0.62 -0.29 0.05 0.00 0.05 0.00 0.00 55.36 55.78 3hps s GLN 141 Cb -0.14 -0.87 -0.00 0.00 1.10 0.00 0.00 33.01 33.10 3hps s GLN 141 CO 0.37 0.10 -0.18 0.14 -0.55 0.00 0.00 175.29 175.17 3hps s VAL 142 N 0.20 1.53 0.05 1.34 -7.23 -0.47 -0.52 120.40 115.31 3hps s VAL 142 Ca -0.03 -0.77 -0.15 0.00 -1.81 0.00 0.00 61.98 59.21 3hps s VAL 142 Cb -0.08 -1.31 -0.06 0.00 0.56 0.00 0.00 36.38 35.48 3hps s VAL 142 CO 0.00 0.44 0.47 -0.22 -0.31 0.00 0.00 175.10 175.48 3hps s LEU 143 N 0.00 4.45 -0.05 1.32 2.96 -0.46 -1.18 118.68 125.72 3hps s LEU 143 Ca -0.04 1.03 -0.12 0.00 -0.22 0.00 0.00 54.13 54.78 3hps s LEU 143 Cb -0.12 -2.81 0.02 0.00 0.50 0.00 0.00 46.19 43.78 3hps s LEU 143 CO 0.02 0.26 0.28 0.28 -1.32 0.00 0.00 176.35 175.88 3hps s THR 144 N -1.19 0.04 0.88 3.68 -1.32 -0.01 -4.21 115.64 113.51 3hps s THR 144 Ca 0.28 -0.34 -0.12 0.00 -1.21 0.00 0.00 61.69 60.31 3hps s THR 144 Cb -0.17 -0.52 0.12 0.00 -1.51 0.00 0.00 72.50 70.42 3hps s THR 144 CO 0.16 -0.19 1.14 -1.10 -2.21 0.00 0.00 174.62 172.42 3hps s GLN 145 N -0.80 1.41 0.26 7.08 -0.21 -1.26 -2.49 119.66 123.65 3hps s GLN 145 Ca -0.09 0.32 0.26 0.00 0.02 0.00 0.00 55.36 55.87 3hps s GLN 145 Cb -0.04 -1.87 0.77 0.00 1.00 0.00 0.00 33.01 32.87 3hps s GLN 145 CO 0.02 -2.02 1.75 0.00 -2.12 0.00 0.00 175.29 172.92 3hps n ARG 147 N -2.42 2.16 -0.32 0.00 1.74 -1.26 -4.38 116.66 112.19 3hps n ARG 147 Ca 0.05 0.77 -0.03 0.00 -0.77 0.00 0.00 57.85 57.87 3hps n ARG 147 Cb 0.42 -2.48 0.12 0.00 -1.02 0.00 0.00 32.46 29.50 3hps n ARG 147 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3hps h PRO 148 N 4.85 1.22 0.00 5.56 0.13 -1.96 -0.38 132.00 141.42 3hps h PRO 148 Ca -0.45 -0.12 -0.04 0.00 -0.87 0.00 0.00 66.00 64.52 3hps h PRO 148 Cb 1.26 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 3hps h PRO 148 CO 0.81 0.86 -0.19 1.05 -0.23 0.00 0.00 178.00 180.30 3hps h GLU 149 N 1.23 0.00 0.05 0.86 9.09 -1.97 -0.22 114.58 123.61 3hps h GLU 149 Ca 0.32 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.45 3hps h GLU 149 Cb -0.03 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.10 3hps h GLU 149 CO -0.06 0.19 -1.10 -0.07 0.05 0.00 0.00 179.01 178.02 3hps h LEU 150 N 0.00 0.89 -0.62 3.06 3.38 -1.45 -2.25 115.31 118.32 3hps h LEU 150 Ca -0.00 -0.77 0.01 0.00 0.09 0.00 0.00 57.88 57.21 3hps h LEU 150 Cb 0.34 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3hps h LEU 150 CO 0.02 1.56 0.40 0.40 0.09 0.00 0.00 178.44 180.91 3hps h ILE 151 N 0.32 1.13 -0.52 1.22 2.04 -0.96 -1.56 117.51 119.18 3hps h ILE 151 Ca -0.15 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.45 3hps h ILE 151 Cb 1.77 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 3hps h ILE 151 CO 0.21 0.15 0.33 -0.33 0.00 0.00 0.00 178.15 178.51 3hps h GLU 152 N 0.81 0.64 -0.04 2.37 5.08 -1.01 -1.88 114.58 120.55 3hps h GLU 152 Ca 0.24 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.47 3hps h GLU 152 Cb -0.06 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3hps h GLU 152 CO -0.07 0.42 -0.38 -0.09 -1.00 0.00 0.00 179.01 177.90 3hps h ARG 153 N 0.66 0.09 -0.01 2.33 2.43 -1.18 -0.97 114.38 117.72 3hps h ARG 153 Ca 0.20 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3hps h ARG 153 Cb -0.02 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3hps h ARG 153 CO -0.07 0.45 0.00 1.15 -1.51 0.00 0.00 179.97 179.99 3hps h THR 154 N 0.08 1.12 -0.32 0.20 2.02 -0.77 -0.58 112.91 114.65 3hps h THR 154 Ca 0.01 -0.36 -0.05 0.00 0.77 0.00 0.00 66.41 66.78 3hps h THR 154 Cb 0.70 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 3hps h THR 154 CO 0.05 0.10 0.00 -0.26 0.37 0.00 0.00 175.52 175.78 3hps h PHE 155 N -0.13 0.50 -0.50 3.16 -1.00 -1.07 -1.91 116.94 115.98 3hps h PHE 155 Ca 0.00 -0.05 0.02 0.00 2.81 0.00 0.00 57.97 60.75 3hps h PHE 155 Cb 0.15 -0.15 -0.03 0.00 3.61 0.00 0.00 35.95 39.53 3hps h PHE 155 CO -0.02 0.50 0.31 1.96 -1.61 0.00 0.00 178.31 179.44 3hps h GLN 156 N 0.47 0.61 -0.88 1.51 4.20 -0.82 -1.98 115.11 118.23 3hps h GLN 156 Ca 0.10 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 3hps h GLN 156 Cb 0.30 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 3hps h GLN 156 CO 0.01 0.40 0.55 0.00 -0.67 0.00 0.00 178.83 179.12 3hps h ALA 157 N 1.21 1.30 -0.01 3.87 0.00 -0.58 -2.64 119.26 122.41 3hps h ALA 157 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hps h ALA 157 Cb -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.42 3hps h ALA 157 CO -0.07 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.79 3hps n SER 159 N -0.54 2.61 0.00 0.00 2.88 -0.79 -0.60 113.62 117.18 3hps n SER 159 Ca 0.21 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 3hps n SER 159 Cb 0.20 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.34 3hps n SER 159 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hps n GLY 160 N 3.35 1.17 3.77 0.46 0.00 -1.26 -4.96 105.19 107.71 3hps n GLY 160 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3hps n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hps s ALA 161 N -3.40 3.33 0.27 4.61 0.00 0.23 -4.91 121.76 121.89 3hps s ALA 161 Ca 0.00 1.44 0.13 0.00 0.00 0.00 0.00 51.96 53.53 3hps s ALA 161 Cb 0.00 -3.57 0.51 0.00 0.00 0.00 0.00 23.12 20.06 3hps s ALA 161 CO 0.00 -1.07 1.68 -1.00 0.00 0.00 0.00 175.76 175.37 3hps h PRO 162 N 2.58 0.00 -2.37 0.00 0.13 -1.94 -3.38 132.00 127.03 3hps h PRO 162 Ca -0.51 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 3hps h PRO 162 Cb 1.25 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.21 3hps h PRO 162 CO 0.62 0.51 0.12 -0.98 -0.23 0.00 0.00 178.00 178.05 3hps s ARG 163 N -3.72 1.05 -0.25 0.86 1.70 -1.26 -1.20 118.95 116.12 3hps s ARG 163 Ca -0.01 0.03 -0.26 0.00 -0.47 0.00 0.00 55.73 55.02 3hps s ARG 163 Cb 0.13 0.49 0.08 0.00 -0.57 0.00 0.00 34.95 35.08 3hps s ARG 163 CO 0.74 -0.35 0.80 0.00 -1.08 0.00 0.00 175.30 175.41 3hps s ALA 164 N -1.76 -1.83 -0.26 7.88 0.00 -0.93 -4.18 121.76 120.68 3hps s ALA 164 Ca -0.09 1.92 -0.14 0.00 0.00 0.00 0.00 51.96 53.65 3hps s ALA 164 Cb -0.01 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 3hps s ALA 164 CO 0.04 -0.31 0.35 0.42 0.00 0.00 0.00 175.76 176.26 3hps s ILE 165 N 0.17 5.20 -0.33 0.00 1.01 0.13 -0.97 121.20 126.41 3hps s ILE 165 Ca -0.00 0.53 -0.16 0.00 0.00 0.00 0.00 60.65 61.02 3hps s ILE 165 Cb -0.04 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.74 3hps s ILE 165 CO -0.00 0.19 0.42 -0.69 0.00 0.00 0.00 174.94 174.86 3hps s VAL 166 N 1.86 5.12 -0.40 2.92 1.01 0.06 -1.36 120.40 129.61 3hps s VAL 166 Ca 0.14 0.22 -0.09 0.00 0.00 0.00 0.00 61.98 62.25 3hps s VAL 166 Cb -0.15 -3.86 0.06 0.00 0.00 0.00 0.00 36.38 32.43 3hps s VAL 166 CO 0.09 -0.10 0.22 -2.28 0.00 0.00 0.00 175.10 173.03 3hps s HIS 167 N 2.15 3.31 0.16 5.22 5.04 -0.33 -0.90 115.29 129.94 3hps s HIS 167 Ca 0.15 -1.41 0.06 0.00 -1.54 0.00 0.00 55.06 52.32 3hps s HIS 167 Cb -0.16 -2.74 -0.04 0.00 0.04 0.00 0.00 32.58 29.68 3hps s HIS 167 CO 0.12 -0.79 0.02 -0.59 -2.34 0.00 0.00 174.74 171.16 3hps s PHE 168 N 1.44 2.93 0.16 3.88 -0.12 -0.31 -0.83 117.98 125.14 3hps s PHE 168 Ca 0.02 -0.09 -0.16 0.00 -0.05 0.00 0.00 56.93 56.65 3hps s PHE 168 Cb -0.22 -1.43 0.03 0.00 -0.63 0.00 0.00 43.02 40.77 3hps s PHE 168 CO 0.03 0.51 0.45 1.52 -0.05 0.00 0.00 175.22 177.68 3hps s TYR 169 N -1.65 -0.10 0.02 3.49 -0.85 -1.04 -2.37 117.35 114.85 3hps s TYR 169 Ca 0.28 -0.23 -0.18 0.00 -0.52 0.00 0.00 57.07 56.41 3hps s TYR 169 Cb -0.10 0.30 0.04 0.00 0.38 0.00 0.00 41.96 42.57 3hps s TYR 169 CO 0.19 -0.81 0.41 0.54 -1.52 0.00 0.00 175.55 174.36 3hps s ASN 170 N -2.85 -0.29 0.11 -0.18 4.22 -1.15 -3.69 114.94 111.10 3hps s ASN 170 Ca 0.07 0.08 -0.30 0.00 -2.14 0.00 0.00 52.86 50.58 3hps s ASN 170 Cb 0.01 0.41 -0.06 0.00 1.28 0.00 0.00 41.25 42.88 3hps s ASN 170 CO -0.06 -0.60 1.17 -0.55 -2.04 0.00 0.00 177.10 175.01 3hps s SER 171 N -1.76 7.13 0.00 3.54 0.15 -1.26 -1.49 113.70 120.01 3hps s SER 171 Ca -0.08 2.06 0.02 0.00 0.70 0.00 0.00 55.95 58.65 3hps s SER 171 Cb -0.02 -2.59 0.03 0.00 -1.71 0.00 0.00 66.02 61.73 3hps s SER 171 CO 0.00 -0.39 0.73 0.35 1.20 0.00 0.00 173.24 175.14 3hps n THR 172 N 3.29 0.37 -1.64 6.45 -2.24 -0.33 -4.77 114.28 115.41 3hps n THR 172 Ca 0.06 -0.68 -0.33 0.00 -2.27 0.00 0.00 64.05 60.83 3hps n THR 172 Cb 0.46 0.84 0.06 0.00 -2.10 0.00 0.00 70.33 69.59 3hps n THR 172 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hps s SER 173 N -0.46 4.94 0.21 3.42 1.04 -1.25 -4.71 113.70 116.89 3hps s SER 173 Ca 0.03 1.98 -0.11 0.00 0.48 0.00 0.00 55.95 58.33 3hps s SER 173 Cb 0.02 -2.55 0.27 0.00 0.10 0.00 0.00 66.02 63.86 3hps s SER 173 CO 0.02 -1.74 1.67 0.40 0.98 0.00 0.00 173.24 174.57 3hps h ILE 174 N -0.21 0.53 0.09 -1.02 2.04 -1.61 -0.02 117.51 117.31 3hps h ILE 174 Ca -0.46 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 3hps h ILE 174 Cb 1.25 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 3hps h ILE 174 CO 0.53 0.02 -0.04 0.25 0.00 0.00 0.00 178.15 178.91 3hps h LEU 175 N 0.13 -0.10 -0.77 1.44 5.85 -1.91 -2.47 115.31 117.48 3hps h LEU 175 Ca 0.31 -0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.86 3hps h LEU 175 Cb 0.48 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3hps h LEU 175 CO -0.49 -0.02 -0.30 1.56 -0.34 0.00 0.00 178.44 178.84 3hps h GLN 176 N -0.18 0.59 -0.79 1.25 4.20 -1.85 -0.39 115.11 117.94 3hps h GLN 176 Ca -0.01 -0.26 0.05 0.00 0.06 0.00 0.00 58.65 58.49 3hps h GLN 176 Cb 0.15 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.85 3hps h GLN 176 CO 0.02 0.82 0.49 0.00 -0.67 0.00 0.00 178.83 179.50 3hps h ARG 177 N 0.51 0.90 0.22 1.46 3.08 -0.93 0.18 114.38 119.80 3hps h ARG 177 Ca 0.06 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3hps h ARG 177 Cb 0.77 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3hps h ARG 177 CO 0.06 0.60 -0.11 -0.09 -1.07 0.00 0.00 179.97 179.36 3hps h ARG 178 N 0.93 -0.28 0.00 0.04 2.43 -0.95 -0.21 114.38 116.33 3hps h ARG 178 Ca 0.33 0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 59.33 3hps h ARG 178 Cb 0.09 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 3hps h ARG 178 CO -0.14 0.06 -2.04 1.33 -1.51 0.00 0.00 179.97 177.67 3hps n VAL 179 N -4.97 0.84 -0.11 0.20 0.24 -0.20 -3.21 118.33 111.11 3hps n VAL 179 Ca -0.07 -0.69 -0.23 0.00 -2.04 0.00 0.00 64.34 61.31 3hps n VAL 179 Cb 0.24 -0.35 -0.11 0.00 -1.47 0.00 0.00 33.84 32.15 3hps n VAL 179 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3hps n VAL 180 N -2.60 1.53 0.04 3.34 0.31 -0.51 -4.63 118.33 115.81 3hps n VAL 180 Ca -0.17 -0.10 0.09 0.00 -0.01 0.00 0.00 64.34 64.14 3hps n VAL 180 Cb 0.87 -2.02 -0.09 0.00 -0.91 0.00 0.00 33.84 31.70 3hps n VAL 180 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3hps n PHE 181 N -4.40 0.53 -3.87 3.52 3.01 -0.06 -4.98 117.46 111.21 3hps n PHE 181 Ca -0.36 0.16 -0.25 0.00 1.01 0.00 0.00 57.45 58.01 3hps n PHE 181 Cb 0.71 -0.79 -0.00 0.00 -0.01 0.00 0.00 39.48 39.39 3hps n PHE 181 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3hps n ARG 182 N -2.54 -3.97 -4.18 -1.08 1.74 -0.28 -4.97 116.66 101.39 3hps n ARG 182 Ca -0.04 0.49 -0.13 0.00 -0.77 0.00 0.00 57.85 57.39 3hps n ARG 182 Cb 0.62 -4.83 -0.10 0.00 -1.02 0.00 0.00 32.46 27.13 3hps n ARG 182 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hps s ALA 183 N -3.80 1.08 0.71 7.54 0.00 -0.25 -5.01 121.76 122.03 3hps s ALA 183 Ca 0.07 -1.25 -0.00 0.00 0.00 0.00 0.00 51.96 50.77 3hps s ALA 183 Cb -0.03 0.07 0.12 0.00 0.00 0.00 0.00 23.12 23.28 3hps s ALA 183 CO 0.86 -0.11 0.98 0.54 0.00 0.00 0.00 175.76 178.03 3hps s ASN 184 N -2.68 4.41 0.19 0.00 2.20 -1.26 -4.53 114.94 113.26 3hps s ASN 184 Ca 0.08 -0.36 -0.12 0.00 -0.94 0.00 0.00 52.86 51.52 3hps s ASN 184 Cb 0.00 -0.05 0.12 0.00 -2.00 0.00 0.00 41.25 39.32 3hps s ASN 184 CO -0.01 -1.82 1.85 0.03 -2.94 0.00 0.00 177.10 174.21 3hps h ARG 185 N -0.49 0.81 -0.80 3.55 3.08 -1.99 -1.79 114.38 116.75 3hps h ARG 185 Ca -0.36 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.61 3hps h ARG 185 Cb 1.27 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 31.10 3hps h ARG 185 CO 0.41 0.53 0.38 0.00 -1.07 0.00 0.00 179.97 180.22 3hps h ALA 186 N 1.24 1.03 -0.41 0.04 0.00 -1.99 -0.92 119.26 118.25 3hps h ALA 186 Ca 0.24 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3hps h ALA 186 Cb -0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3hps h ALA 186 CO -0.06 0.60 -0.04 0.93 0.00 0.00 0.00 179.25 180.68 3hps h GLU 187 N 1.13 0.76 -0.35 0.00 5.08 -1.86 -1.60 114.58 117.74 3hps h GLU 187 Ca 0.27 -0.26 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 3hps h GLU 187 Cb 0.13 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3hps h GLU 187 CO -0.03 0.86 -0.32 0.28 -1.00 0.00 0.00 179.01 178.80 3hps h VAL 188 N 0.58 1.28 -0.63 3.13 2.07 -1.26 -1.59 116.25 119.83 3hps h VAL 188 Ca 0.11 -1.47 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 3hps h VAL 188 Cb 0.54 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 3hps h VAL 188 CO 0.03 0.48 0.31 -0.61 0.02 0.00 0.00 177.57 177.80 3hps h GLN 189 N 0.65 0.91 -0.92 1.57 4.15 -1.11 -2.86 115.11 117.49 3hps h GLN 189 Ca 0.07 -0.13 0.01 0.00 0.77 0.00 0.00 58.65 59.37 3hps h GLN 189 Cb 0.85 -0.16 -0.05 0.00 0.21 0.00 0.00 27.48 28.33 3hps h GLN 189 CO 0.07 0.72 0.61 0.00 -1.93 0.00 0.00 178.83 178.31 3hps h ALA 190 N 1.14 1.35 -0.50 3.38 0.00 -0.95 -0.28 119.26 123.39 3hps h ALA 190 Ca 0.22 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.14 3hps h ALA 190 Cb 0.11 -0.37 -0.06 0.00 0.00 0.00 0.00 17.79 17.47 3hps h ALA 190 CO -0.03 0.60 0.15 0.82 0.00 0.00 0.00 179.25 180.80 3hps h ILE 191 N 1.25 0.79 -0.27 0.00 2.04 -1.08 0.25 117.51 120.48 3hps h ILE 191 Ca 0.34 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 66.04 3hps h ILE 191 Cb -0.13 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3hps h ILE 191 CO -0.08 0.06 -0.04 0.00 0.00 0.00 0.00 178.15 178.09 3hps h ALA 192 N 1.35 0.37 -0.15 1.87 0.00 -1.23 -1.19 119.26 120.30 3hps h ALA 192 Ca 0.25 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 3hps h ALA 192 Cb 0.29 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hps h ALA 192 CO -0.27 0.16 -0.66 1.15 0.00 0.00 0.00 179.25 179.63 3hps h THR 193 N 0.28 1.33 -0.52 0.00 2.02 -0.90 0.06 112.91 115.18 3hps h THR 193 Ca 0.07 -1.95 -0.08 0.00 0.77 0.00 0.00 66.41 65.22 3hps h THR 193 Cb 0.50 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 3hps h THR 193 CO 0.02 0.60 0.01 0.44 0.37 0.00 0.00 175.52 176.97 3hps h ASP 194 N 0.41 0.88 -0.73 4.18 3.32 -0.51 -1.15 116.42 122.82 3hps h ASP 194 Ca -0.02 -0.30 0.05 0.00 0.02 0.00 0.00 57.03 56.78 3hps h ASP 194 Cb 1.23 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 40.49 3hps h ASP 194 CO 0.12 0.97 0.44 1.23 -1.72 0.00 0.00 179.24 180.28 3hps h GLY 195 N 0.77 1.07 0.98 2.75 0.00 -0.98 -1.45 103.07 106.22 3hps h GLY 195 Ca 0.15 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3hps h GLY 195 CO 0.02 0.23 0.25 0.00 0.00 0.00 0.00 176.54 177.05 3hps h ALA 196 N 1.34 0.56 -0.76 3.60 0.00 -0.68 -0.44 119.26 122.89 3hps h ALA 196 Ca 0.31 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.19 3hps h ALA 196 Cb 0.11 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 3hps h ALA 196 CO -0.15 0.06 0.47 0.00 0.00 0.00 0.00 179.25 179.64 3hps h ARG 197 N 0.58 0.89 -0.52 0.00 3.08 -0.98 -1.00 114.38 116.42 3hps h ARG 197 Ca 0.16 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3hps h ARG 197 Cb 0.02 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 3hps h ARG 197 CO -0.03 0.59 0.25 -0.22 -1.07 0.00 0.00 179.97 179.49 3hps h LYS 198 N 0.91 0.75 -0.52 0.04 1.63 -0.99 -1.02 116.57 117.38 3hps h LYS 198 Ca 0.31 -0.11 0.08 0.00 -0.85 0.00 0.00 60.65 60.09 3hps h LYS 198 Cb 0.05 -0.14 -0.07 0.00 -0.60 0.00 0.00 32.23 31.47 3hps h LYS 198 CO -0.12 0.62 0.14 0.00 -3.45 0.00 0.00 179.45 176.63 3hps h VAL 200 N 0.29 1.23 0.07 0.00 2.07 -0.89 -0.48 116.25 118.55 3hps h VAL 200 Ca 0.26 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 3hps h VAL 200 Cb 0.34 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3hps h VAL 200 CO -0.31 0.28 -0.04 -0.08 0.02 0.00 0.00 177.57 177.45 3hps h GLU 201 N 0.82 -0.09 -0.82 1.57 4.81 -0.89 -2.32 114.58 117.66 3hps h GLU 201 Ca 0.20 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 3hps h GLU 201 Cb 0.22 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 3hps h GLU 201 CO -0.01 -0.06 0.36 1.96 -0.73 0.00 0.00 179.01 180.53 3hps h GLN 202 N -0.10 1.20 -0.66 1.92 1.08 -0.91 -2.65 115.11 114.99 3hps h GLN 202 Ca -0.01 -0.20 -0.05 0.00 -1.45 0.00 0.00 58.65 56.94 3hps h GLN 202 Cb 0.08 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.27 3hps h GLN 202 CO 0.02 0.95 0.22 0.00 -0.95 0.00 0.00 178.83 179.07 3hps h ALA 203 N 1.19 1.15 0.00 3.87 0.00 -0.95 -0.48 119.26 124.05 3hps h ALA 203 Ca 0.28 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hps h ALA 203 Cb 0.17 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hps h ALA 203 CO -0.03 0.59 -0.01 0.00 0.00 0.00 0.00 179.25 179.81 3hps h ALA 204 N 1.28 1.01 0.00 0.00 0.00 -1.07 -2.67 119.26 117.81 3hps h ALA 204 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3hps h ALA 204 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hps h ALA 204 CO -0.01 0.01 -0.50 0.36 0.00 0.00 0.00 179.25 179.11 3hps n LYS 205 N -3.11 0.03 -3.97 0.00 2.85 -0.21 -4.71 118.16 109.04 3hps n LYS 205 Ca -0.01 0.01 -0.30 0.00 -1.05 0.00 0.00 58.31 56.95 3hps n LYS 205 Cb 0.21 -1.52 -0.14 0.00 -0.65 0.00 0.00 35.03 32.92 3hps n LYS 205 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3hps s TYR 206 N -3.02 3.34 0.83 5.58 1.51 -1.01 -5.10 117.35 119.49 3hps s TYR 206 Ca 0.11 -3.06 -0.12 0.00 -1.01 0.00 0.00 57.07 52.99 3hps s TYR 206 Cb 0.17 -2.81 0.09 0.00 -0.11 0.00 0.00 41.96 39.30 3hps s TYR 206 CO 0.70 -0.83 1.11 -1.25 -1.11 0.00 0.00 175.55 174.16 3hps s PRO 207 N 0.24 1.78 0.00 -1.71 0.04 -1.26 -4.19 135.00 129.89 3hps s PRO 207 Ca 0.14 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.76 3hps s PRO 207 Cb -0.23 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3hps s PRO 207 CO -0.04 -1.82 0.00 0.41 0.04 0.00 0.00 177.00 175.59 3hps n GLY 208 N -2.03 1.81 3.73 0.56 0.00 -1.26 -4.93 105.19 103.06 3hps n GLY 208 Ca 0.07 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3hps n GLY 208 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hps n THR 209 N 0.00 0.75 -2.74 2.61 -1.04 -1.26 -4.91 114.28 107.69 3hps n THR 209 Ca 0.00 -0.19 -0.42 0.00 -2.04 0.00 0.00 64.05 61.40 3hps n THR 209 Cb 0.00 -1.89 -0.03 0.00 -1.82 0.00 0.00 70.33 66.59 3hps n THR 209 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3hps s GLN 210 N -0.08 3.34 0.11 -2.82 -1.52 -0.34 -4.94 119.66 113.40 3hps s GLN 210 Ca 0.67 -0.97 -0.29 0.00 -1.95 0.00 0.00 55.36 52.83 3hps s GLN 210 Cb -0.52 -4.61 -0.06 0.00 -0.22 0.00 0.00 33.01 27.60 3hps s GLN 210 CO 0.45 -1.97 0.93 -1.58 -0.25 0.00 0.00 175.29 172.87 3hps s TRP 211 N 4.33 3.81 0.12 0.91 0.52 -1.26 -2.19 118.94 125.18 3hps s TRP 211 Ca 0.32 1.76 0.02 0.00 0.02 0.00 0.00 56.10 58.23 3hps s TRP 211 Cb -0.09 -3.02 -0.04 0.00 -1.15 0.00 0.00 33.47 29.17 3hps s TRP 211 CO 0.03 0.23 -0.06 1.03 0.02 0.00 0.00 176.95 178.20 3hps s ARG 212 N -0.08 0.92 0.09 4.98 0.52 -0.14 -4.96 118.95 120.29 3hps s ARG 212 Ca 0.45 -1.39 0.07 0.00 -0.52 0.00 0.00 55.73 54.34 3hps s ARG 212 Cb -0.23 -0.29 -0.03 0.00 0.52 0.00 0.00 34.95 34.92 3hps s ARG 212 CO 0.29 -0.02 -0.18 -0.06 0.02 0.00 0.00 175.30 175.35 3hps s PHE 213 N -3.58 1.54 -0.02 -0.53 0.40 -1.26 -0.77 117.98 113.76 3hps s PHE 213 Ca 0.15 -0.45 0.02 0.00 -0.60 0.00 0.00 56.93 56.05 3hps s PHE 213 Cb 0.05 -0.84 0.01 0.00 0.51 0.00 0.00 43.02 42.74 3hps s PHE 213 CO -0.02 0.15 -0.05 -2.00 0.70 0.00 0.00 175.22 173.99 3hps s GLU 214 N -1.94 0.60 -0.07 0.44 2.12 -0.08 -1.83 118.70 117.94 3hps s GLU 214 Ca 0.04 -0.16 0.03 0.00 0.36 0.00 0.00 54.97 55.24 3hps s GLU 214 Cb -0.09 -0.61 0.00 0.00 0.26 0.00 0.00 34.13 33.69 3hps s GLU 214 CO 0.03 0.04 -0.18 -0.47 -0.54 0.00 0.00 175.26 174.15 3hps s TYR 215 N 0.32 1.91 -0.17 5.30 5.04 -0.10 -1.16 117.35 128.49 3hps s TYR 215 Ca -0.04 -0.71 -0.01 0.00 -2.44 0.00 0.00 57.07 53.88 3hps s TYR 215 Cb -0.08 -1.32 -0.00 0.00 0.35 0.00 0.00 41.96 40.91 3hps s TYR 215 CO -0.00 -0.30 -0.12 -1.12 -1.34 0.00 0.00 175.55 172.66 3hps s SER 216 N 0.41 3.84 -0.78 4.32 0.01 -1.00 -1.28 113.70 119.23 3hps s SER 216 Ca -0.14 -0.44 -0.26 0.00 1.31 0.00 0.00 55.95 56.43 3hps s SER 216 Cb -0.16 -1.61 0.01 0.00 0.21 0.00 0.00 66.02 64.47 3hps s SER 216 CO 0.05 0.06 1.56 -2.16 0.41 0.00 0.00 173.24 173.17 3hps s PRO 217 N 0.96 3.03 0.51 12.44 0.04 -1.25 -2.95 135.00 147.78 3hps s PRO 217 Ca -0.02 -0.19 -0.22 0.00 0.04 0.00 0.00 61.00 60.61 3hps s PRO 217 Cb -0.15 -4.59 -0.06 0.00 0.04 0.00 0.00 34.50 29.74 3hps s PRO 217 CO -0.02 -2.49 1.26 -2.00 0.04 0.00 0.00 177.00 173.79 3hps s GLU 218 N 6.12 3.38 -1.46 4.56 -6.30 -0.56 -1.46 118.70 122.99 3hps s GLU 218 Ca 0.51 2.00 -0.10 0.00 -2.50 0.00 0.00 54.97 54.87 3hps s GLU 218 Cb -0.08 -2.28 0.05 0.00 0.00 0.00 0.00 34.13 31.82 3hps s GLU 218 CO 0.09 -0.92 0.92 0.43 0.02 0.00 0.00 175.26 175.80 3hps n SER 219 N -0.86 -5.45 -0.32 -1.70 7.64 -1.26 -1.18 113.62 110.48 3hps n SER 219 Ca 0.09 -0.56 0.12 0.00 1.01 0.00 0.00 58.87 59.53 3hps n SER 219 Cb 0.47 -4.35 0.29 0.00 -1.01 0.00 0.00 64.21 59.61 3hps n SER 219 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3hps h TYR 220 N -2.01 0.86 0.00 1.43 3.20 -1.23 -0.64 116.97 118.58 3hps h TYR 220 Ca -0.55 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.33 3hps h TYR 220 Cb 1.36 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.39 3hps h TYR 220 CO 0.55 0.12 -0.10 1.79 -1.64 0.00 0.00 178.16 178.88 3hps h THR 221 N 0.60 0.39 -0.38 1.81 1.35 -1.85 -1.33 112.91 113.51 3hps h THR 221 Ca 0.55 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 3hps h THR 221 Cb 0.91 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 3hps h THR 221 CO -0.43 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 175.56 3hps n GLY 222 N -0.43 0.87 3.53 5.82 0.00 -0.25 -4.96 105.19 109.77 3hps n GLY 222 Ca -0.01 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 3hps n GLY 222 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hps s THR 223 N -1.52 3.25 0.25 2.61 2.01 -0.50 -1.51 115.64 120.23 3hps s THR 223 Ca 0.26 -0.99 -0.30 0.00 0.31 0.00 0.00 61.69 60.97 3hps s THR 223 Cb 0.14 -2.40 -0.10 0.00 0.01 0.00 0.00 72.50 70.14 3hps s THR 223 CO 0.17 0.35 1.48 -1.61 -0.69 0.00 0.00 174.62 174.32 3hps s GLU 224 N -1.48 4.24 0.18 4.92 8.01 -1.26 -4.88 118.70 128.42 3hps s GLU 224 Ca 0.16 2.36 -0.11 0.00 0.01 0.00 0.00 54.97 57.39 3hps s GLU 224 Cb -0.11 -3.10 0.09 0.00 -4.31 0.00 0.00 34.13 26.70 3hps s GLU 224 CO 0.07 -0.48 1.74 -0.07 0.01 0.00 0.00 175.26 176.53 3hps h LEU 225 N 5.22 0.89 -0.90 1.80 3.38 -1.97 -0.34 115.31 123.39 3hps h LEU 225 Ca -0.46 -0.18 0.12 0.00 0.09 0.00 0.00 57.88 57.46 3hps h LEU 225 Cb 1.22 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.65 3hps h LEU 225 CO 0.80 0.82 0.52 -0.33 0.09 0.00 0.00 178.44 180.34 3hps h GLU 226 N 0.90 0.79 -0.14 1.13 4.39 -1.99 -0.04 114.58 119.62 3hps h GLU 226 Ca 0.21 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.71 3hps h GLU 226 Cb 0.22 -0.18 0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3hps h GLU 226 CO -0.02 0.52 -0.52 -0.92 -1.16 0.00 0.00 179.01 176.91 3hps h TYR 227 N 0.81 0.80 -0.81 4.33 -0.00 -1.72 -0.58 116.97 119.80 3hps h TYR 227 Ca 0.45 -0.33 0.04 0.00 -0.00 0.00 0.00 58.73 58.89 3hps h TYR 227 Cb 0.50 -0.13 -0.05 0.00 -0.00 0.00 0.00 36.73 37.05 3hps h TYR 227 CO -0.05 1.12 0.51 0.00 -0.00 0.00 0.00 178.16 179.74 3hps h ALA 228 N 0.53 1.08 -0.42 1.82 0.00 -0.71 -0.76 119.26 120.79 3hps h ALA 228 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hps h ALA 228 Cb 1.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3hps h ALA 228 CO 0.11 0.29 0.23 -0.22 0.00 0.00 0.00 179.25 179.66 3hps h LYS 229 N 0.96 0.59 -0.46 0.00 3.64 -0.93 -1.13 116.57 119.24 3hps h LYS 229 Ca 0.34 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.68 3hps h LYS 229 Cb 0.08 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 3hps h LYS 229 CO -0.14 0.48 0.23 1.96 -2.27 0.00 0.00 179.45 179.71 3hps h GLN 230 N 0.55 0.45 -0.09 1.90 4.20 -0.46 -0.04 115.11 121.61 3hps h GLN 230 Ca 0.15 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 3hps h GLN 230 Cb 0.06 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 3hps h GLN 230 CO -0.02 0.30 0.01 0.28 -0.67 0.00 0.00 178.83 178.72 3hps h VAL 231 N 0.46 1.23 -0.29 -0.54 2.07 -0.95 -1.61 116.25 116.62 3hps h VAL 231 Ca 0.20 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 67.05 3hps h VAL 231 Cb 0.11 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 3hps h VAL 231 CO -0.14 0.21 -0.06 0.00 0.02 0.00 0.00 177.57 177.60 3hps h ASP 233 N 0.02 0.49 -0.50 0.00 3.45 -0.87 0.15 116.42 119.16 3hps h ASP 233 Ca 0.14 0.03 -0.07 0.00 0.43 0.00 0.00 57.03 57.57 3hps h ASP 233 Cb 0.21 -0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 38.90 3hps h ASP 233 CO -0.29 0.32 0.06 0.00 -1.57 0.00 0.00 179.24 177.75 3hps h ALA 234 N 1.34 0.67 -0.64 3.45 0.00 -0.80 0.61 119.26 123.89 3hps h ALA 234 Ca 0.29 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3hps h ALA 234 Cb 0.20 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3hps h ALA 234 CO -0.19 0.42 0.42 0.28 0.00 0.00 0.00 179.25 180.18 3hps h VAL 235 N 0.72 1.17 -0.73 0.00 2.07 -0.48 -2.73 116.25 116.26 3hps h VAL 235 Ca 0.15 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3hps h VAL 235 Cb 0.43 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3hps h VAL 235 CO 0.01 0.16 0.41 1.23 0.02 0.00 0.00 177.57 179.41 3hps h GLY 236 N 0.86 1.08 0.56 2.17 0.00 -0.42 -1.54 103.07 105.79 3hps h GLY 236 Ca 0.23 -0.48 0.13 0.00 0.00 0.00 0.00 47.33 47.22 3hps h GLY 236 CO -0.05 0.46 0.58 0.83 0.00 0.00 0.00 176.54 178.36 3hps h GLU 237 N 1.00 0.76 -0.07 4.80 4.39 -0.64 0.16 114.58 124.97 3hps h GLU 237 Ca 0.26 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.88 3hps h GLU 237 Cb 0.01 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.49 3hps h GLU 237 CO -0.04 0.50 -0.08 0.28 -1.16 0.00 0.00 179.01 178.51 3hps h VAL 238 N 0.78 1.37 0.00 3.13 2.07 -1.07 -3.29 116.25 119.25 3hps h VAL 238 Ca 0.45 -1.26 -0.12 0.00 0.82 0.00 0.00 66.70 66.59 3hps h VAL 238 Cb 0.61 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 3hps h VAL 238 CO -0.21 0.35 -0.57 0.40 0.02 0.00 0.00 177.57 177.56 3hps h ILE 239 N -0.25 1.36 -5.92 4.57 2.04 -0.95 -3.48 117.51 114.89 3hps h ILE 239 Ca 0.01 -2.00 -0.37 0.00 1.00 0.00 0.00 64.86 63.51 3hps h ILE 239 Cb 0.60 2.09 0.12 0.00 -0.74 0.00 0.00 36.82 38.90 3hps h ILE 239 CO 0.02 0.56 -0.88 0.00 0.00 0.00 0.00 178.15 177.85 3hps n ALA 240 N -2.41 -2.40 -1.34 1.87 0.00 0.53 -4.98 120.51 111.77 3hps n ALA 240 Ca -0.01 -0.09 -0.31 0.00 0.00 0.00 0.00 53.44 53.03 3hps n ALA 240 Cb 0.59 -4.18 0.08 0.00 0.00 0.00 0.00 19.45 15.94 3hps n ALA 240 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hps s PRO 241 N -5.43 2.36 0.31 0.00 0.04 -1.26 -5.07 135.00 125.96 3hps s PRO 241 Ca 0.35 1.07 0.04 0.00 0.04 0.00 0.00 61.00 62.51 3hps s PRO 241 Cb -0.09 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 3hps s PRO 241 CO 0.81 -1.54 0.04 0.95 0.04 0.00 0.00 177.00 177.30 3hps s THR 242 N -2.95 1.22 0.42 1.26 -4.23 -0.84 -4.90 115.64 105.62 3hps s THR 242 Ca 0.60 -2.01 0.09 0.00 -1.18 0.00 0.00 61.69 59.19 3hps s THR 242 Cb -0.16 -2.73 0.28 0.00 1.34 0.00 0.00 72.50 71.23 3hps s THR 242 CO 0.56 -0.05 2.04 -0.65 -0.54 0.00 0.00 174.62 175.97 3hps h PRO 243 N 2.16 0.48 0.00 3.99 0.11 -1.89 -0.87 132.00 135.98 3hps h PRO 243 Ca -0.40 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.50 3hps h PRO 243 Cb 1.24 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3hps h PRO 243 CO 0.69 0.32 -0.83 0.93 -0.21 0.00 0.00 178.00 178.90 3hps h GLU 244 N 0.49 0.05 -2.26 1.05 3.07 -1.96 -3.38 114.58 111.65 3hps h GLU 244 Ca 0.18 -0.06 -0.59 0.00 -0.50 0.00 0.00 59.36 58.39 3hps h GLU 244 Cb 0.12 0.02 -0.41 0.00 -0.84 0.00 0.00 28.75 27.63 3hps h GLU 244 CO -0.05 0.85 -0.72 2.89 -1.40 0.00 0.00 179.01 180.58 3hps n ARG 245 N -3.60 1.94 -1.40 2.33 1.85 -0.67 -5.12 116.66 111.99 3hps n ARG 245 Ca -0.01 -4.26 -0.31 0.00 -1.00 0.00 0.00 57.85 52.27 3hps n ARG 245 Cb 0.79 -2.00 0.08 0.00 -1.05 0.00 0.00 32.46 30.27 3hps n ARG 245 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3hps s PRO 246 N -1.96 2.49 0.08 2.89 0.04 -0.42 -1.99 135.00 136.13 3hps s PRO 246 Ca 0.37 1.04 -0.03 0.00 0.04 0.00 0.00 61.00 62.42 3hps s PRO 246 Cb 0.13 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 3hps s PRO 246 CO -0.06 -1.44 0.27 -1.50 0.04 0.00 0.00 177.00 174.31 3hps s ILE 247 N -2.98 5.31 -0.23 0.56 2.07 0.08 -4.63 121.20 121.38 3hps s ILE 247 Ca 0.60 -0.16 -0.13 0.00 -1.41 0.00 0.00 60.65 59.55 3hps s ILE 247 Cb -0.16 -3.61 -0.04 0.00 0.13 0.00 0.00 42.46 38.78 3hps s ILE 247 CO 0.56 0.15 0.28 -0.63 -1.91 0.00 0.00 174.94 173.39 3hps s ILE 248 N -1.52 5.27 -0.28 2.00 1.01 -0.76 -0.22 121.20 126.70 3hps s ILE 248 Ca 0.35 0.43 -0.09 0.00 0.00 0.00 0.00 60.65 61.34 3hps s ILE 248 Cb -0.13 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 3hps s ILE 248 CO 0.25 0.28 0.14 -0.36 0.00 0.00 0.00 174.94 175.24 3hps s PHE 249 N 1.33 3.16 -0.18 3.97 2.99 -0.80 -0.92 117.98 127.53 3hps s PHE 249 Ca 0.13 -0.28 -0.04 0.00 0.00 0.00 0.00 56.93 56.74 3hps s PHE 249 Cb -0.14 -2.32 -0.02 0.00 0.00 0.00 0.00 43.02 40.53 3hps s PHE 249 CO 0.07 -0.32 -0.04 1.21 -0.00 0.00 0.00 175.22 176.14 3hps s ASN 250 N 1.67 4.58 -0.56 1.36 2.47 -0.40 -0.71 114.94 123.34 3hps s ASN 250 Ca 0.06 -0.24 -0.01 0.00 0.42 0.00 0.00 52.86 53.09 3hps s ASN 250 Cb -0.16 -1.76 0.15 0.00 -1.45 0.00 0.00 41.25 38.02 3hps s ASN 250 CO 0.07 0.09 0.35 -0.76 -3.72 0.00 0.00 177.10 173.13 3hps s LEU 251 N 0.82 5.04 0.17 3.21 1.43 0.62 -3.92 118.68 126.05 3hps s LEU 251 Ca -0.01 -2.74 -0.25 0.00 -1.03 0.00 0.00 54.13 50.10 3hps s LEU 251 Cb -0.15 -1.80 -0.08 0.00 0.03 0.00 0.00 46.19 44.20 3hps s LEU 251 CO 0.02 -0.37 0.78 -2.16 0.23 0.00 0.00 176.35 174.85 3hps s PRO 252 N 0.11 4.57 -1.26 1.29 0.04 -1.26 -3.36 135.00 135.12 3hps s PRO 252 Ca 0.15 1.16 -0.14 0.00 0.04 0.00 0.00 61.00 62.22 3hps s PRO 252 Cb -0.22 -3.26 0.14 0.00 0.04 0.00 0.00 34.50 31.20 3hps s PRO 252 CO -0.03 0.57 1.65 0.00 0.04 0.00 0.00 177.00 179.23 3hps n ALA 253 N 1.61 4.23 -0.25 8.56 0.00 -0.38 -3.03 120.51 131.25 3hps n ALA 253 Ca -0.06 -4.15 -0.02 0.00 0.00 0.00 0.00 53.44 49.21 3hps n ALA 253 Cb 0.49 -3.20 0.09 0.00 0.00 0.00 0.00 19.45 16.83 3hps n ALA 253 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3hps h THR 254 N 4.61 1.06 -3.72 0.00 2.02 -1.93 -2.13 112.91 112.83 3hps h THR 254 Ca 0.38 -0.28 -0.68 0.00 0.77 0.00 0.00 66.41 66.60 3hps h THR 254 Cb 0.80 0.16 -0.30 0.00 -1.74 0.00 0.00 68.15 67.08 3hps h THR 254 CO 1.42 0.15 -0.84 -0.69 0.37 0.00 0.00 175.52 175.93 3hps s VAL 255 N -6.11 2.41 -0.33 3.16 1.01 -1.26 -4.78 120.40 114.50 3hps s VAL 255 Ca -0.13 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.64 3hps s VAL 255 Cb 0.16 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.61 3hps s VAL 255 CO 0.77 0.56 1.41 -0.70 0.00 0.00 0.00 175.10 177.14 3hps s GLU 256 N -0.02 3.74 -0.12 2.72 2.12 -1.23 -4.80 118.70 121.12 3hps s GLU 256 Ca -0.07 1.19 0.15 0.00 0.36 0.00 0.00 54.97 56.60 3hps s GLU 256 Cb -0.15 -3.97 -0.21 0.00 0.26 0.00 0.00 34.13 30.06 3hps s GLU 256 CO 0.05 -1.35 0.14 -1.33 -0.54 0.00 0.00 175.26 172.23 3hps n MET 257 N 7.70 1.18 -1.33 4.30 2.81 -1.26 -4.36 117.12 126.16 3hps n MET 257 Ca 0.16 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 3hps n MET 257 Cb 0.47 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.58 3hps n MET 257 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 3hps n THR 258 N -2.44 0.00 -1.90 2.03 5.66 -1.26 -4.89 114.28 111.47 3hps n THR 258 Ca -0.19 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.47 3hps n THR 258 Cb 0.85 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.67 3hps n THR 258 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3hps s THR 259 N -2.23 3.00 -0.20 1.09 -4.23 -1.26 -4.89 115.64 106.92 3hps s THR 259 Ca 0.00 0.54 0.29 0.00 -1.18 0.00 0.00 61.69 61.33 3hps s THR 259 Cb 0.00 -3.11 0.34 0.00 1.34 0.00 0.00 72.50 71.06 3hps s THR 259 CO 0.00 -0.22 1.84 1.55 -0.54 0.00 0.00 174.62 177.26 3hps h PRO 260 N 0.47 0.00 -0.21 3.99 0.13 -1.93 -2.10 132.00 132.36 3hps h PRO 260 Ca -0.48 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.54 3hps h PRO 260 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 3hps h PRO 260 CO 0.54 0.00 -0.32 -2.95 -0.23 0.00 0.00 178.00 175.04 3hps h ASN 261 N 0.00 0.43 -0.05 1.44 -1.07 -1.92 -1.22 115.58 113.20 3hps h ASN 261 Ca 0.00 -0.16 -0.22 0.00 0.07 0.00 0.00 56.30 55.99 3hps h ASN 261 Cb 0.54 -0.12 0.01 0.00 -2.07 0.00 0.00 38.32 36.68 3hps h ASN 261 CO 0.00 0.73 -0.78 0.58 0.07 0.00 0.00 177.43 178.04 3hps h VAL 262 N 0.36 1.30 -0.43 6.14 2.07 -1.75 0.98 116.25 124.92 3hps h VAL 262 Ca 0.05 -2.02 0.02 0.00 0.82 0.00 0.00 66.70 65.57 3hps h VAL 262 Cb 0.75 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.51 3hps h VAL 262 CO 0.06 0.63 0.25 0.22 0.02 0.00 0.00 177.57 178.75 3hps h TYR 263 N 0.48 0.46 -0.73 1.57 3.20 -1.46 -0.99 116.97 119.50 3hps h TYR 263 Ca -0.05 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 3hps h TYR 263 Cb 1.39 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.48 3hps h TYR 263 CO 0.08 0.26 0.38 0.00 -1.64 0.00 0.00 178.16 177.24 3hps h ALA 264 N 1.20 0.93 -0.59 1.82 0.00 -0.99 -0.89 119.26 120.73 3hps h ALA 264 Ca 0.17 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3hps h ALA 264 Cb 0.03 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 3hps h ALA 264 CO -0.09 0.46 0.31 -0.44 0.00 0.00 0.00 179.25 179.49 3hps h ASP 265 N 1.00 0.43 -0.71 0.00 3.32 -0.58 -0.56 116.42 119.33 3hps h ASP 265 Ca 0.25 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 3hps h ASP 265 Cb 0.06 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3hps h ASP 265 CO -0.04 0.29 0.34 0.77 -1.72 0.00 0.00 179.24 178.88 3hps h SER 266 N 0.57 0.92 -0.44 6.45 4.64 -0.18 -1.10 113.55 124.41 3hps h SER 266 Ca 0.27 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 3hps h SER 266 Cb 0.19 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 3hps h SER 266 CO -0.19 0.79 0.23 0.40 -0.87 0.00 0.00 176.83 177.20 3hps h ILE 267 N 0.98 1.17 -0.55 0.95 1.08 -0.80 0.36 117.51 120.69 3hps h ILE 267 Ca 0.24 -0.45 0.01 0.00 -0.39 0.00 0.00 64.86 64.27 3hps h ILE 267 Cb 0.11 0.66 -0.03 0.00 -3.07 0.00 0.00 36.82 34.49 3hps h ILE 267 CO -0.03 0.18 0.36 -0.08 -0.69 0.00 0.00 178.15 177.89 3hps h GLU 268 N 0.57 0.71 -0.32 2.37 4.81 -0.90 0.34 114.58 122.17 3hps h GLU 268 Ca 0.15 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3hps h GLU 268 Cb 0.08 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3hps h GLU 268 CO -0.02 0.47 0.15 2.35 -0.73 0.00 0.00 179.01 181.23 3hps h TRP 269 N 0.73 0.46 -0.55 0.92 7.01 -1.01 -0.29 115.95 123.22 3hps h TRP 269 Ca 0.20 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 3hps h TRP 269 Cb -0.07 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 26.82 3hps h TRP 269 CO -0.04 0.41 0.31 0.52 -2.79 0.00 0.00 178.44 176.85 3hps h MET 270 N 0.38 0.75 -0.53 2.65 2.86 -0.50 -1.30 114.93 119.25 3hps h MET 270 Ca 0.11 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 3hps h MET 270 Cb 0.12 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 3hps h MET 270 CO -0.01 0.56 0.22 1.03 1.06 0.00 0.00 176.91 179.77 3hps h SER 271 N 0.74 0.69 1.71 1.22 0.87 0.04 -0.64 113.55 118.17 3hps h SER 271 Ca 0.19 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3hps h SER 271 Cb 0.02 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 3hps h SER 271 CO -0.03 0.62 -0.13 0.03 -0.53 0.00 0.00 176.83 176.78 3hps h ARG 272 N 0.76 0.00 0.00 2.24 3.08 -0.63 -3.39 114.38 116.44 3hps h ARG 272 Ca 0.18 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 3hps h ARG 272 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3hps h ARG 272 CO -0.02 0.00 -1.35 0.09 -1.07 0.00 0.00 179.97 177.62 3hps n ASN 273 N -2.80 3.42 -4.75 7.04 4.13 -0.53 -5.02 115.26 116.76 3hps n ASN 273 Ca 0.04 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.89 3hps n ASN 273 Cb 0.50 1.13 0.01 0.00 -1.54 0.00 0.00 39.78 39.88 3hps n ASN 273 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3hps n LEU 274 N -1.88 4.78 -4.76 3.41 4.77 -0.30 -4.99 117.00 118.03 3hps n LEU 274 Ca -0.04 1.15 -0.32 0.00 -0.03 0.00 0.00 56.01 56.77 3hps n LEU 274 Cb 0.33 -1.59 0.07 0.00 -2.33 0.00 0.00 43.42 39.91 3hps n LEU 274 CO 0.14 -0.16 0.72 0.00 -1.33 0.00 0.00 177.39 176.76 3hps s ALA 275 N -1.17 2.33 -1.44 -1.18 0.00 -1.26 -4.09 121.76 114.95 3hps s ALA 275 Ca 0.59 0.43 -0.10 0.00 0.00 0.00 0.00 51.96 52.88 3hps s ALA 275 Cb -0.47 -3.31 0.05 0.00 0.00 0.00 0.00 23.12 19.39 3hps s ALA 275 CO 0.60 -1.57 0.97 -1.71 0.00 0.00 0.00 175.76 174.05 3hps n ASN 276 N -2.99 -4.29 0.03 0.00 5.15 -1.26 -4.84 115.26 107.06 3hps n ASN 276 Ca 0.10 -0.74 0.06 0.00 -0.60 0.00 0.00 54.58 53.41 3hps n ASN 276 Cb 0.52 -4.19 0.48 0.00 -0.53 0.00 0.00 39.78 36.07 3hps n ASN 276 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 3hps h ARG 277 N -2.16 0.41 0.00 1.20 9.65 -1.95 0.48 114.38 122.02 3hps h ARG 277 Ca -0.58 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.27 3hps h ARG 277 Cb 1.37 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.86 3hps h ARG 277 CO 0.62 0.27 0.00 -1.91 2.80 0.00 0.00 179.97 181.76 3hps n GLU 278 N -4.48 0.04 -0.42 0.20 2.13 -1.26 -2.05 120.64 114.80 3hps n GLU 278 Ca 0.03 0.28 0.08 0.00 0.66 0.00 0.00 57.16 58.21 3hps n GLU 278 Cb 0.13 -1.57 0.26 0.00 0.27 0.00 0.00 31.44 30.53 3hps n GLU 278 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 3hps n SER 279 N -1.64 3.87 -4.22 4.31 7.64 0.16 -4.27 113.62 119.46 3hps n SER 279 Ca 0.03 -2.56 -0.33 0.00 1.01 0.00 0.00 58.87 57.03 3hps n SER 279 Cb 0.18 -0.46 -0.16 0.00 -1.01 0.00 0.00 64.21 62.77 3hps n SER 279 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hps s VAL 280 N -2.01 2.30 -0.38 0.44 1.01 -0.87 -0.74 120.40 120.14 3hps s VAL 280 Ca 0.39 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 3hps s VAL 280 Cb 0.27 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.73 3hps s VAL 280 CO 0.15 0.54 0.41 -0.63 0.00 0.00 0.00 175.10 175.57 3hps s ILE 281 N 0.68 5.11 -0.24 2.22 1.01 0.70 -4.95 121.20 125.73 3hps s ILE 281 Ca -0.09 -0.12 -0.20 0.00 0.00 0.00 0.00 60.65 60.23 3hps s ILE 281 Cb -0.16 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 3hps s ILE 281 CO 0.02 -0.27 0.60 -0.22 0.00 0.00 0.00 174.94 175.07 3hps s LEU 282 N 2.11 4.08 0.04 2.97 2.96 -1.26 -1.90 118.68 127.69 3hps s LEU 282 Ca 0.13 0.70 0.09 0.00 -0.22 0.00 0.00 54.13 54.83 3hps s LEU 282 Cb -0.17 -2.82 -0.03 0.00 0.50 0.00 0.00 46.19 43.68 3hps s LEU 282 CO 0.13 -0.32 -0.25 -0.55 -1.32 0.00 0.00 176.35 174.03 3hps s SER 283 N 1.40 3.05 0.03 3.68 0.15 0.11 0.81 113.70 122.93 3hps s SER 283 Ca 0.26 -0.58 0.03 0.00 0.70 0.00 0.00 55.95 56.36 3hps s SER 283 Cb -0.16 -0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 63.84 3hps s SER 283 CO 0.09 0.24 -0.04 -0.76 1.20 0.00 0.00 173.24 173.97 3hps s LEU 284 N -1.21 3.29 -0.42 3.45 1.43 -0.18 -0.28 118.68 124.77 3hps s LEU 284 Ca 0.11 -0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.13 3hps s LEU 284 Cb -0.10 -1.93 0.20 0.00 0.03 0.00 0.00 46.19 44.39 3hps s LEU 284 CO 0.02 0.25 0.45 1.57 0.23 0.00 0.00 176.35 178.88 3hps n HIS 285 N 1.28 -1.18 -3.32 0.29 -0.00 -1.21 -0.67 115.22 110.41 3hps n HIS 285 Ca -0.14 -3.12 -0.38 0.00 0.46 0.00 0.00 57.72 54.54 3hps n HIS 285 Cb 0.52 0.28 -0.06 0.00 -0.12 0.00 0.00 29.99 30.61 3hps n HIS 285 CO 0.00 0.00 0.00 -2.14 0.46 0.00 0.00 176.34 174.66 3hps s PRO 286 N -0.17 4.20 0.47 1.57 0.02 -1.26 -1.25 135.00 138.58 3hps s PRO 286 Ca 0.33 0.60 0.08 0.00 0.02 0.00 0.00 61.00 62.03 3hps s PRO 286 Cb 0.08 -3.31 0.03 0.00 0.02 0.00 0.00 34.50 31.33 3hps s PRO 286 CO -0.16 0.47 0.64 -1.01 -0.33 0.00 0.00 177.00 176.61 3hps s HIS 287 N -0.47 2.44 -0.27 6.54 3.76 -0.80 -1.32 115.29 125.18 3hps s HIS 287 Ca 0.28 -0.46 0.10 0.00 -0.15 0.00 0.00 55.06 54.83 3hps s HIS 287 Cb -0.18 -2.37 0.49 0.00 1.11 0.00 0.00 32.58 31.64 3hps s HIS 287 CO 0.15 -0.65 1.43 -1.71 -0.85 0.00 0.00 174.74 173.11 3hps n ASN 288 N -1.99 2.58 0.27 1.40 5.15 -0.83 -4.26 115.26 117.57 3hps n ASN 288 Ca 0.10 -3.67 0.12 0.00 -0.60 0.00 0.00 54.58 50.53 3hps n ASN 288 Cb 0.60 -0.61 0.78 0.00 -0.53 0.00 0.00 39.78 40.02 3hps n ASN 288 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 3hps h ASP 289 N 1.06 0.00 -0.44 1.20 3.32 -1.87 0.69 116.42 120.38 3hps h ASP 289 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3hps h ASP 289 Cb 1.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.11 3hps h ASP 289 CO 0.33 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.39 3hps n ARG 290 N -4.18 3.01 -1.12 3.56 1.74 -1.26 -4.96 116.66 113.44 3hps n ARG 290 Ca -0.03 -2.41 -0.04 0.00 -0.77 0.00 0.00 57.85 54.60 3hps n ARG 290 Cb 0.10 -1.51 -0.02 0.00 -1.02 0.00 0.00 32.46 30.01 3hps n ARG 290 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hps n GLY 291 N 0.62 0.69 0.63 -0.13 0.00 0.23 -4.92 105.19 102.32 3hps n GLY 291 Ca 0.17 -0.49 0.06 0.00 0.00 0.00 0.00 46.02 45.77 3hps n GLY 291 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hps n THR 292 N -2.77 1.81 -0.16 2.61 -2.24 -1.26 -4.80 114.28 107.48 3hps n THR 292 Ca -0.04 -2.72 -0.08 0.00 -2.27 0.00 0.00 64.05 58.94 3hps n THR 292 Cb 0.19 -0.06 0.01 0.00 -2.10 0.00 0.00 70.33 68.37 3hps n THR 292 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hps h ALA 293 N 0.82 0.61 -0.39 6.98 0.00 -1.86 -0.10 119.26 125.32 3hps h ALA 293 Ca -0.03 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.80 3hps h ALA 293 Cb 1.13 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 3hps h ALA 293 CO 0.01 0.17 0.15 0.28 0.00 0.00 0.00 179.25 179.87 3hps h VAL 294 N 0.62 0.91 -0.66 0.00 2.07 -1.92 -0.98 116.25 116.29 3hps h VAL 294 Ca 0.16 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.58 3hps h VAL 294 Cb 0.12 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3hps h VAL 294 CO -0.02 0.06 0.44 0.00 0.02 0.00 0.00 177.57 178.07 3hps h ALA 295 N 1.24 0.84 -0.63 1.67 0.00 -1.82 -1.07 119.26 119.49 3hps h ALA 295 Ca 0.18 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3hps h ALA 295 Cb 0.14 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3hps h ALA 295 CO -0.16 0.26 0.39 0.00 0.00 0.00 0.00 179.25 179.74 3hps h ALA 296 N 1.24 0.81 -0.34 0.00 0.00 -0.69 0.76 119.26 121.04 3hps h ALA 296 Ca 0.24 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3hps h ALA 296 Cb -0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3hps h ALA 296 CO -0.05 0.16 0.08 0.00 0.00 0.00 0.00 179.25 179.43 3hps h ALA 297 N 1.26 0.45 -0.30 0.00 0.00 -0.96 0.13 119.26 119.83 3hps h ALA 297 Ca 0.25 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3hps h ALA 297 Cb -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3hps h ALA 297 CO -0.09 0.12 -0.34 0.93 0.00 0.00 0.00 179.25 179.87 3hps h GLU 298 N 0.40 0.77 -0.27 0.00 5.08 -0.87 0.18 114.58 119.87 3hps h GLU 298 Ca 0.11 -0.42 -0.19 0.00 -1.00 0.00 0.00 59.36 57.86 3hps h GLU 298 Cb 0.30 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3hps h GLU 298 CO 0.00 1.05 -0.57 -0.07 -1.00 0.00 0.00 179.01 178.42 3hps h LEU 299 N 0.53 0.94 -0.97 1.33 3.38 -0.91 -2.44 115.31 117.17 3hps h LEU 299 Ca 0.04 -0.52 0.05 0.00 0.09 0.00 0.00 57.88 57.55 3hps h LEU 299 Cb 0.93 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 3hps h LEU 299 CO 0.08 1.31 0.62 1.23 0.09 0.00 0.00 178.44 181.78 3hps h GLY 300 N 0.72 1.45 0.94 0.83 0.00 -0.67 -0.30 103.07 106.02 3hps h GLY 300 Ca 0.01 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 3hps h GLY 300 CO 0.12 0.35 0.01 -2.75 0.00 0.00 0.00 176.54 174.28 3hps h PHE 301 N 1.16 0.74 0.00 5.60 -0.00 -0.92 -1.77 116.94 121.75 3hps h PHE 301 Ca 0.41 -0.12 -0.01 0.00 -0.00 0.00 0.00 57.97 58.25 3hps h PHE 301 Cb 0.11 -0.19 -0.00 0.00 -0.00 0.00 0.00 35.95 35.86 3hps h PHE 301 CO -0.01 0.75 -0.03 0.00 -0.00 0.00 0.00 178.31 179.03 3hps h ALA 302 N 0.89 1.42 -0.00 2.41 0.00 -0.90 -1.69 119.26 121.38 3hps h ALA 302 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hps h ALA 302 Cb 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3hps h ALA 302 CO 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 179.25 179.28 3hps n ALA 303 N -2.29 2.60 0.00 0.00 0.00 -0.18 -4.42 120.51 116.22 3hps n ALA 303 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3hps n ALA 303 Cb 0.12 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.10 3hps n ALA 303 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hps n GLY 304 N 1.20 0.95 3.71 0.00 0.00 -0.64 -3.82 105.19 106.60 3hps n GLY 304 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3hps n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hps s ALA 305 N -1.94 1.75 -0.08 4.61 0.00 -1.16 -4.87 121.76 120.07 3hps s ALA 305 Ca 0.00 0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.36 3hps s ALA 305 Cb 0.00 -3.33 -0.11 0.00 0.00 0.00 0.00 23.12 19.68 3hps s ALA 305 CO 0.00 -2.30 0.19 -0.25 0.00 0.00 0.00 175.76 173.40 3hps n ASP 306 N -3.90 2.70 -3.71 0.00 8.00 0.24 -4.82 116.55 115.06 3hps n ASP 306 Ca 0.10 -0.13 -0.14 0.00 0.71 0.00 0.00 54.79 55.32 3hps n ASP 306 Cb 0.53 1.28 -0.08 0.00 -0.02 0.00 0.00 41.12 42.82 3hps n ASP 306 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3hps s ARG 307 N -2.36 0.71 -0.05 -1.24 3.52 -0.66 -2.15 118.95 116.71 3hps s ARG 307 Ca -0.02 0.01 0.01 0.00 -0.13 0.00 0.00 55.73 55.60 3hps s ARG 307 Cb 0.05 0.32 0.02 0.00 -1.56 0.00 0.00 34.95 33.79 3hps s ARG 307 CO 0.31 -0.19 -0.04 0.42 -0.81 0.00 0.00 175.30 175.00 3hps s ILE 308 N -1.05 0.51 -0.11 4.11 1.01 -0.44 -1.01 121.20 124.22 3hps s ILE 308 Ca -0.11 -0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.34 3hps s ILE 308 Cb -0.04 -0.55 -0.05 0.00 0.01 0.00 0.00 42.46 41.83 3hps s ILE 308 CO 0.05 0.23 0.27 -1.61 0.00 0.00 0.00 174.94 173.88 3hps s GLU 309 N 1.10 3.95 0.15 2.79 2.02 0.16 -0.89 118.70 127.98 3hps s GLU 309 Ca -0.08 0.10 -0.09 0.00 0.02 0.00 0.00 54.97 54.92 3hps s GLU 309 Cb -0.14 -3.31 0.03 0.00 0.10 0.00 0.00 34.13 30.81 3hps s GLU 309 CO -0.01 0.50 0.45 0.41 0.02 0.00 0.00 175.26 176.63 3hps n GLY 310 N 2.62 1.26 3.33 -1.39 0.00 -0.79 -4.37 105.19 105.84 3hps n GLY 310 Ca -0.15 -1.09 -0.20 0.00 0.00 0.00 0.00 46.02 44.58 3hps n GLY 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hps s LEU 312 N -2.95 4.37 -1.84 0.00 1.43 -1.26 -1.00 118.68 117.43 3hps s LEU 312 Ca 0.18 2.56 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 3hps s LEU 312 Cb -0.03 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.60 3hps s LEU 312 CO 0.06 -0.80 0.00 0.49 0.23 0.00 0.00 176.35 176.33 3hps n PHE 313 N 4.07 -0.69 -2.67 0.29 3.01 -1.26 -3.58 117.46 116.63 3hps n PHE 313 Ca 0.14 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.41 3hps n PHE 313 Cb 0.39 -3.65 0.01 0.00 -0.01 0.00 0.00 39.48 36.22 3hps n PHE 313 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hps n GLY 314 N -0.76 -0.37 3.73 1.37 0.00 -1.03 -4.94 105.19 103.18 3hps n GLY 314 Ca -0.22 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 3hps n GLY 314 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hps s ASN 315 N -2.50 3.90 0.00 1.61 2.47 -1.23 -3.71 114.94 115.47 3hps s ASN 315 Ca 0.15 1.71 0.00 0.00 0.42 0.00 0.00 52.86 55.14 3hps s ASN 315 Cb -0.07 -2.38 0.00 0.00 -1.45 0.00 0.00 41.25 37.35 3hps s ASN 315 CO 0.18 -2.40 0.00 0.61 -3.72 0.00 0.00 177.10 171.77 3hps n GLY 316 N -1.02 2.13 3.60 1.21 0.00 -1.26 -0.93 105.19 108.92 3hps n GLY 316 Ca 0.08 -1.88 -0.49 0.00 0.00 0.00 0.00 46.02 43.73 3hps n GLY 316 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hps n GLU 317 N -1.88 1.34 0.00 1.61 -0.58 -1.25 -3.38 120.64 116.51 3hps n GLU 317 Ca 0.00 0.48 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 3hps n GLU 317 Cb 0.00 -2.06 0.00 0.00 -0.57 0.00 0.00 31.44 28.81 3hps n GLU 317 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3hps n ARG 318 N 2.16 0.00 0.00 3.49 1.74 -1.26 -0.62 116.66 122.17 3hps n ARG 318 Ca 0.16 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.37 3hps n ARG 318 Cb 0.24 0.00 0.47 0.00 -1.02 0.00 0.00 32.46 32.15 3hps n ARG 318 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3hps n THR 319 N 0.00 0.00 0.00 0.55 -2.24 -1.26 -5.03 114.28 106.30 3hps n THR 319 Ca 0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3hps n THR 319 Cb 0.00 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 3hps n THR 319 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hps n GLY 320 N 1.46 1.62 3.89 3.38 0.00 0.21 -4.59 105.19 111.16 3hps n GLY 320 Ca 0.08 -2.03 -0.29 0.00 0.00 0.00 0.00 46.02 43.78 3hps n GLY 320 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hps s ASN 321 N 0.00 5.85 0.20 1.61 -0.87 -0.11 -1.98 114.94 119.64 3hps s ASN 321 Ca 0.00 1.10 -0.32 0.00 -1.57 0.00 0.00 52.86 52.07 3hps s ASN 321 Cb 0.00 -2.10 -0.14 0.00 -0.02 0.00 0.00 41.25 38.98 3hps s ASN 321 CO 0.00 -1.02 1.31 0.55 -2.57 0.00 0.00 177.10 175.37 3hps n VAL 322 N -2.72 0.85 -2.11 1.60 3.14 -0.43 -4.31 118.33 114.34 3hps n VAL 322 Ca 0.05 -0.21 -0.43 0.00 -2.96 0.00 0.00 64.34 60.79 3hps n VAL 322 Cb 0.56 -1.18 -0.02 0.00 -1.06 0.00 0.00 33.84 32.13 3hps n VAL 322 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3hps h LEU 324 N 12.65 0.05 0.04 0.00 3.38 -1.40 -1.84 115.31 128.18 3hps h LEU 324 Ca -0.32 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 3hps h LEU 324 Cb 1.15 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3hps h LEU 324 CO 1.03 0.29 -0.02 0.58 0.09 0.00 0.00 178.44 180.41 3hps h VAL 325 N 0.04 1.23 -0.42 1.22 2.07 -1.91 -0.31 116.25 118.18 3hps h VAL 325 Ca 0.01 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.65 3hps h VAL 325 Cb 0.46 1.84 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 3hps h VAL 325 CO 0.03 0.23 0.21 0.74 0.02 0.00 0.00 177.57 178.80 3hps h THR 326 N -0.46 0.97 -0.37 2.57 2.02 -1.84 -0.57 112.91 115.24 3hps h THR 326 Ca -0.01 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 3hps h THR 326 Cb 0.42 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3hps h THR 326 CO 0.01 0.08 0.16 -0.07 0.37 0.00 0.00 175.52 176.07 3hps h LEU 327 N 0.43 0.51 -0.42 2.58 3.38 -1.31 0.12 115.31 120.59 3hps h LEU 327 Ca 0.18 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3hps h LEU 327 Cb 0.09 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3hps h LEU 327 CO -0.13 0.52 0.01 1.23 0.09 0.00 0.00 178.44 180.17 3hps h GLY 328 N 0.46 0.79 2.00 0.83 0.00 -0.79 -2.98 103.07 103.38 3hps h GLY 328 Ca 0.13 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 3hps h GLY 328 CO -0.01 0.53 -0.38 1.41 0.00 0.00 0.00 176.54 178.08 3hps h LEU 329 N 0.57 0.00 -1.65 3.11 3.38 -1.03 -2.26 115.31 117.43 3hps h LEU 329 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3hps h LEU 329 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3hps h LEU 329 CO 0.02 0.38 0.03 0.78 0.09 0.00 0.00 178.44 179.74 3hps h ASN 330 N 0.00 0.22 0.13 -0.43 2.35 -0.71 -0.92 115.58 116.22 3hps h ASN 330 Ca -0.00 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3hps h ASN 330 Cb 1.10 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.41 3hps h ASN 330 CO 0.05 0.25 -0.06 -0.07 -1.65 0.00 0.00 177.43 175.94 3hps h LEU 331 N 0.25 -0.15 -0.68 1.61 3.38 -1.33 -3.30 115.31 115.10 3hps h LEU 331 Ca 0.06 -0.41 0.14 0.00 0.09 0.00 0.00 57.88 57.77 3hps h LEU 331 Cb 0.13 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.81 3hps h LEU 331 CO -0.00 0.40 0.11 0.15 0.09 0.00 0.00 178.44 179.19 3hps h PHE 332 N -0.77 0.16 0.00 1.13 3.57 -0.83 -0.04 116.94 120.16 3hps h PHE 332 Ca -0.02 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3hps h PHE 332 Cb 0.54 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.32 3hps h PHE 332 CO 0.09 -0.10 0.00 -1.13 -2.23 0.00 0.00 178.31 174.94 3hps n SER 333 N -5.19 0.00 -0.32 0.41 3.41 -0.36 -1.54 113.62 110.02 3hps n SER 333 Ca 0.12 -0.09 0.09 0.00 -0.26 0.00 0.00 58.87 58.73 3hps n SER 333 Cb 0.41 -0.28 0.17 0.00 -0.26 0.00 0.00 64.21 64.24 3hps n SER 333 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hps n ARG 334 N -1.28 1.89 -1.07 4.33 5.12 -0.47 -4.99 116.66 120.18 3hps n ARG 334 Ca 0.12 -2.59 0.00 0.00 -1.93 0.00 0.00 57.85 53.45 3hps n ARG 334 Cb 0.20 -1.57 0.00 0.00 -1.16 0.00 0.00 32.46 29.93 3hps n ARG 334 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hps n GLY 335 N -1.07 0.55 3.20 -0.13 0.00 -0.59 -5.05 105.19 102.10 3hps n GLY 335 Ca 0.17 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 3hps n GLY 335 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hps s VAL 336 N -2.00 2.16 -0.09 1.61 1.01 -0.15 -4.99 120.40 117.95 3hps s VAL 336 Ca 0.00 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 3hps s VAL 336 Cb 0.00 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 3hps s VAL 336 CO 0.00 0.55 1.61 -0.62 0.00 0.00 0.00 175.10 176.64 3hps s ASP 337 N 0.68 6.65 0.00 3.32 2.15 -1.26 -2.05 116.67 126.16 3hps s ASP 337 Ca -0.10 2.09 0.21 0.00 0.43 0.00 0.00 52.55 55.19 3hps s ASP 337 Cb -0.16 -2.53 0.98 0.00 -0.30 0.00 0.00 42.92 40.91 3hps s ASP 337 CO 0.01 -0.96 1.69 -0.81 -0.17 0.00 0.00 175.17 174.93 3hps n PRO 338 N 7.15 0.13 -1.79 4.34 -0.04 -1.26 -4.01 135.00 139.51 3hps n PRO 338 Ca 0.17 0.11 -0.18 0.00 -0.04 0.00 0.00 63.50 63.57 3hps n PRO 338 Cb 0.43 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.34 3hps n PRO 338 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3hps n GLN 339 N -1.41 -1.29 -4.27 0.54 6.02 -1.26 -4.87 117.38 110.83 3hps n GLN 339 Ca 0.07 1.03 -0.17 0.00 -0.01 0.00 0.00 57.00 57.92 3hps n GLN 339 Cb 0.22 -5.36 -0.14 0.00 1.02 0.00 0.00 30.24 25.97 3hps n GLN 339 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3hps s ILE 340 N -2.73 0.60 -0.34 5.09 -1.09 -1.26 -4.79 121.20 116.68 3hps s ILE 340 Ca 0.00 -0.36 -0.21 0.00 -2.23 0.00 0.00 60.65 57.85 3hps s ILE 340 Cb 0.00 -0.51 0.00 0.00 -1.58 0.00 0.00 42.46 40.37 3hps s ILE 340 CO 0.00 0.14 0.68 -0.62 -1.23 0.00 0.00 174.94 173.91 3hps s ASP 341 N -0.25 6.50 -0.13 3.58 2.15 -0.22 -4.87 116.67 123.43 3hps s ASP 341 Ca 0.02 0.34 0.17 0.00 0.43 0.00 0.00 52.55 53.51 3hps s ASP 341 Cb -0.03 -2.35 0.34 0.00 -0.30 0.00 0.00 42.92 40.58 3hps s ASP 341 CO -0.00 -0.59 1.22 0.49 -0.17 0.00 0.00 175.17 176.12 3hps n PHE 342 N 6.08 0.29 0.24 -5.34 3.01 -1.26 -4.76 117.46 115.71 3hps n PHE 342 Ca 0.00 -0.92 0.10 0.00 1.01 0.00 0.00 57.45 57.63 3hps n PHE 342 Cb 0.49 -0.19 0.46 0.00 -0.01 0.00 0.00 39.48 40.23 3hps n PHE 342 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3hps n SER 343 N -1.07 0.48 -3.34 4.37 3.41 -1.26 -3.22 113.62 113.00 3hps n SER 343 Ca 0.17 0.68 -0.26 0.00 -0.26 0.00 0.00 58.87 59.20 3hps n SER 343 Cb 0.69 -0.76 -0.08 0.00 -0.26 0.00 0.00 64.21 63.79 3hps n SER 343 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3hps n ASN 344 N -2.10 0.62 0.23 4.04 2.85 -1.25 -2.33 115.26 117.32 3hps n ASN 344 Ca 0.00 -2.72 0.08 0.00 -0.11 0.00 0.00 54.58 51.83 3hps n ASN 344 Cb 0.10 -0.62 0.58 0.00 1.24 0.00 0.00 39.78 41.07 3hps n ASN 344 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 3hps h ILE 345 N 3.15 0.86 -0.70 -1.44 2.10 -1.21 -2.16 117.51 118.11 3hps h ILE 345 Ca 0.15 -0.74 -0.04 0.00 1.08 0.00 0.00 64.86 65.31 3hps h ILE 345 Cb 0.85 1.44 -0.03 0.00 -1.09 0.00 0.00 36.82 37.99 3hps h ILE 345 CO 0.50 0.19 0.26 0.44 -1.08 0.00 0.00 178.15 178.46 3hps h ASP 346 N 0.00 0.98 -0.33 2.19 3.32 -1.89 0.19 116.42 120.88 3hps h ASP 346 Ca -0.00 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 3hps h ASP 346 Cb 0.42 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3hps h ASP 346 CO 0.03 0.89 0.13 -0.08 -1.72 0.00 0.00 179.24 178.49 3hps h GLU 347 N 1.00 0.50 -0.29 3.56 4.81 -1.78 0.21 114.58 122.59 3hps h GLU 347 Ca 0.23 -0.09 0.05 0.00 -0.13 0.00 0.00 59.36 59.42 3hps h GLU 347 Cb 0.23 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 3hps h GLU 347 CO -0.02 0.50 0.01 0.82 -0.73 0.00 0.00 179.01 179.59 3hps h ILE 348 N 0.39 0.80 -0.30 2.32 2.04 -1.25 -1.76 117.51 119.75 3hps h ILE 348 Ca 0.11 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 3hps h ILE 348 Cb 0.19 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3hps h ILE 348 CO -0.01 0.02 0.11 -0.09 0.00 0.00 0.00 178.15 178.18 3hps h ARG 349 N 0.09 0.45 -0.66 2.37 2.43 -0.27 0.40 114.38 119.21 3hps h ARG 349 Ca 0.14 -0.09 0.09 0.00 -0.81 0.00 0.00 59.98 59.31 3hps h ARG 349 Cb 0.18 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.59 3hps h ARG 349 CO -0.23 0.48 0.30 0.00 -1.51 0.00 0.00 179.97 179.02 3hps h ARG 350 N 0.33 0.50 -0.27 0.20 3.08 -0.43 -0.16 114.38 117.63 3hps h ARG 350 Ca 0.10 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 3hps h ARG 350 Cb 0.21 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3hps h ARG 350 CO -0.01 0.33 -0.23 1.15 -1.07 0.00 0.00 179.97 180.14 3hps h THR 351 N 0.52 1.31 -0.75 2.04 2.02 -0.99 -1.66 112.91 115.39 3hps h THR 351 Ca 0.32 -1.39 0.01 0.00 0.77 0.00 0.00 66.41 66.12 3hps h THR 351 Cb 0.36 1.59 -0.04 0.00 -1.74 0.00 0.00 68.15 68.32 3hps h THR 351 CO -0.27 0.44 0.49 0.58 0.37 0.00 0.00 175.52 177.12 3hps h VAL 352 N 0.37 1.19 -0.50 3.16 2.07 -0.63 0.04 116.25 121.95 3hps h VAL 352 Ca 0.05 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 3hps h VAL 352 Cb 0.79 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3hps h VAL 352 CO 0.06 0.19 0.15 -0.33 0.02 0.00 0.00 177.57 177.66 3hps h GLU 353 N 1.01 0.78 -0.20 1.57 5.08 -0.92 0.14 114.58 122.04 3hps h GLU 353 Ca 0.27 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3hps h GLU 353 Cb -0.11 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3hps h GLU 353 CO -0.06 0.73 0.08 -0.92 -1.00 0.00 0.00 179.01 177.84 3hps h TYR 354 N 0.68 0.14 -0.25 4.33 3.20 -1.13 0.25 116.97 124.19 3hps h TYR 354 Ca 0.16 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.93 3hps h TYR 354 Cb 0.28 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 3hps h TYR 354 CO 0.02 0.07 -0.28 0.00 -1.64 0.00 0.00 178.16 176.32 3hps h ASN 356 N 0.34 0.00 -4.72 0.00 2.35 -0.77 -3.43 115.58 109.36 3hps h ASN 356 Ca 0.03 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.40 3hps h ASN 356 Cb 0.85 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.22 3hps h ASN 356 CO 0.07 0.16 -0.56 0.00 -1.65 0.00 0.00 177.43 175.45 3hps n GLN 357 N -2.90 -3.97 -4.28 0.81 1.13 0.88 -4.82 117.38 104.22 3hps n GLN 357 Ca -0.00 0.73 -0.18 0.00 -1.94 0.00 0.00 57.00 55.60 3hps n GLN 357 Cb 0.62 -5.50 -0.15 0.00 0.11 0.00 0.00 30.24 25.31 3hps n GLN 357 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3hps s LEU 358 N -6.50 1.83 0.48 1.08 1.43 -1.24 -5.01 118.68 110.75 3hps s LEU 358 Ca 0.30 -0.14 -0.20 0.00 -1.03 0.00 0.00 54.13 53.06 3hps s LEU 358 Cb -0.15 -0.43 -0.09 0.00 0.03 0.00 0.00 46.19 45.56 3hps s LEU 358 CO 0.37 0.06 1.00 -2.16 0.23 0.00 0.00 176.35 175.85 3hps s PRO 359 N 0.12 3.93 -0.07 1.29 0.04 -1.26 -4.41 135.00 134.63 3hps s PRO 359 Ca -0.01 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 61.96 3hps s PRO 359 Cb -0.06 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 3hps s PRO 359 CO -0.00 -0.31 1.07 0.08 0.04 0.00 0.00 177.00 177.89 3hps s VAL 360 N -2.14 4.59 0.56 -0.36 1.01 -1.26 -5.02 120.40 117.78 3hps s VAL 360 Ca 0.64 1.88 -0.21 0.00 0.00 0.00 0.00 61.98 64.29 3hps s VAL 360 Cb -0.13 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 3hps s VAL 360 CO 0.20 0.02 1.31 1.57 0.00 0.00 0.00 175.10 178.19 3hps n HIS 361 N 4.94 2.11 0.11 5.22 -0.00 -1.26 -4.79 115.22 121.54 3hps n HIS 361 Ca 0.09 0.44 0.20 0.00 0.46 0.00 0.00 57.72 58.90 3hps n HIS 361 Cb 0.48 -2.33 0.76 0.00 -0.12 0.00 0.00 29.99 28.78 3hps n HIS 361 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 3hps h GLU 362 N 1.27 0.00 -0.31 1.57 3.07 -1.95 -1.51 114.58 116.73 3hps h GLU 362 Ca -0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 3hps h GLU 362 Cb 1.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 3hps h GLU 362 CO 0.56 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.71 3hps n ARG 363 N -3.83 2.33 -1.74 2.33 1.74 -1.26 -1.42 116.66 114.80 3hps n ARG 363 Ca 0.06 -1.92 -0.42 0.00 -0.77 0.00 0.00 57.85 54.80 3hps n ARG 363 Cb 0.54 -1.30 -0.03 0.00 -1.02 0.00 0.00 32.46 30.66 3hps n ARG 363 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3hps s HIS 364 N -1.02 2.87 0.21 -1.55 2.46 -0.57 -4.84 115.29 112.85 3hps s HIS 364 Ca 0.24 0.45 -0.31 0.00 0.47 0.00 0.00 55.06 55.90 3hps s HIS 364 Cb 0.13 -4.12 -0.15 0.00 -0.13 0.00 0.00 32.58 28.31 3hps s HIS 364 CO 0.18 -4.14 1.11 -2.30 -2.47 0.00 0.00 174.74 167.12 3hps n PRO 365 N 3.57 1.22 0.00 2.88 -0.02 -1.26 -1.22 135.00 140.18 3hps n PRO 365 Ca 0.14 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3hps n PRO 365 Cb 0.36 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3hps n PRO 365 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hps n TYR 366 N 1.13 0.00 0.61 6.00 4.01 -1.26 -4.37 117.16 123.29 3hps n TYR 366 Ca 0.13 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.94 3hps n TYR 366 Cb 0.27 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.21 3hps n TYR 366 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hps n GLY 367 N 0.00 -0.39 3.80 2.72 0.00 -1.16 -5.00 105.19 105.16 3hps n GLY 367 Ca 0.00 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 3hps n GLY 367 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hps s GLY 368 N -2.49 2.30 0.33 -0.02 0.00 -0.35 -4.92 107.32 102.16 3hps s GLY 368 Ca 0.04 0.50 0.11 0.00 0.00 0.00 0.00 44.72 45.37 3hps s GLY 368 CO 0.59 0.82 1.74 -0.55 0.00 0.00 0.00 173.10 175.70 3hps h ASP 369 N 0.92 0.65 -0.20 1.64 3.32 -1.67 -2.90 116.42 118.18 3hps h ASP 369 Ca -0.48 0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3hps h ASP 369 Cb 1.22 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3hps h ASP 369 CO 0.58 0.11 0.00 0.18 -1.72 0.00 0.00 179.24 178.39 3hps n LEU 370 N -4.85 3.05 0.20 1.55 4.77 -0.51 -4.60 117.00 116.61 3hps n LEU 370 Ca 0.27 -1.27 0.14 0.00 -0.03 0.00 0.00 56.01 55.12 3hps n LEU 370 Cb 0.76 -0.12 0.39 0.00 -2.33 0.00 0.00 43.42 42.12 3hps n LEU 370 CO 0.18 0.60 0.88 -0.37 -1.33 0.00 0.00 177.39 177.34 3hps h VAL 371 N 4.12 0.00 -0.25 4.08 -1.51 -1.66 -2.81 116.25 118.23 3hps h VAL 371 Ca 0.00 -0.66 -0.11 0.00 -1.23 0.00 0.00 66.70 64.70 3hps h VAL 371 Cb 0.91 1.62 -0.06 0.00 -2.13 0.00 0.00 31.29 31.63 3hps h VAL 371 CO 0.00 0.00 -0.13 -1.22 -1.23 0.00 0.00 177.57 174.99 3hps n TYR 372 N -2.79 0.79 -4.30 5.19 4.02 -1.26 -5.00 117.16 113.81 3hps n TYR 372 Ca 0.03 -1.42 -0.34 0.00 -0.01 0.00 0.00 57.90 56.16 3hps n TYR 372 Cb 0.41 -0.39 -0.09 0.00 -0.02 0.00 0.00 39.34 39.25 3hps n TYR 372 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3hps s THR 373 N -3.15 4.37 -0.14 -0.72 2.01 -1.06 -1.74 115.64 115.22 3hps s THR 373 Ca 0.42 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 62.10 3hps s THR 373 Cb 0.38 -2.88 0.02 0.00 0.01 0.00 0.00 72.50 70.02 3hps s THR 373 CO 0.00 0.53 -0.14 0.00 -0.69 0.00 0.00 174.62 174.32 3hps s ALA 374 N -0.97 1.82 -0.47 7.40 0.00 -0.85 -4.98 121.76 123.71 3hps s ALA 374 Ca 0.16 -0.87 0.22 0.00 0.00 0.00 0.00 51.96 51.48 3hps s ALA 374 Cb -0.11 -1.01 -0.10 0.00 0.00 0.00 0.00 23.12 21.90 3hps s ALA 374 CO 0.05 -0.32 0.86 1.19 0.00 0.00 0.00 175.76 177.55 3hps n PHE 375 N 4.65 0.24 -2.66 0.00 3.01 -1.26 -2.51 117.46 118.93 3hps n PHE 375 Ca -0.17 0.07 -0.42 0.00 1.01 0.00 0.00 57.45 57.93 3hps n PHE 375 Cb 0.50 -0.45 -0.03 0.00 -0.01 0.00 0.00 39.48 39.49 3hps n PHE 375 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3hps s SER 376 N -4.12 7.22 0.28 4.37 0.15 -1.26 -4.94 113.70 115.41 3hps s SER 376 Ca 0.01 1.56 0.01 0.00 0.70 0.00 0.00 55.95 58.23 3hps s SER 376 Cb 0.14 -2.56 0.57 0.00 -1.71 0.00 0.00 66.02 62.46 3hps s SER 376 CO 0.84 -0.47 1.81 1.23 1.20 0.00 0.00 173.24 177.85 3hps h GLY 377 N 8.06 1.60 0.91 9.45 0.00 -1.94 -0.64 103.07 120.51 3hps h GLY 377 Ca -0.31 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.62 3hps h GLY 377 CO 0.86 0.08 0.11 1.76 0.00 0.00 0.00 176.54 179.36 3hps h SER 378 N 0.87 0.42 -0.72 0.19 0.02 -2.00 -1.67 113.55 110.68 3hps h SER 378 Ca 0.50 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 3hps h SER 378 Cb 0.58 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 3hps h SER 378 CO -0.30 0.49 0.40 0.45 -1.14 0.00 0.00 176.83 176.73 3hps h HIS 379 N 0.33 0.97 -0.63 3.45 -0.00 -1.90 -1.75 115.15 115.64 3hps h HIS 379 Ca 0.10 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.42 3hps h HIS 379 Cb 0.20 -0.31 -0.03 0.00 -0.00 0.00 0.00 27.41 27.27 3hps h HIS 379 CO -0.00 0.68 0.26 1.96 -0.00 0.00 0.00 177.93 180.83 3hps h GLN 380 N 0.98 0.93 -0.21 2.45 4.20 -1.03 0.96 115.11 123.39 3hps h GLN 380 Ca 0.25 -0.17 0.03 0.00 0.06 0.00 0.00 58.65 58.83 3hps h GLN 380 Cb 0.02 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 3hps h GLN 380 CO -0.04 0.78 0.02 0.22 -0.67 0.00 0.00 178.83 179.14 3hps h ASP 381 N 0.87 -0.04 -0.74 1.46 3.58 -1.16 -1.22 116.42 119.17 3hps h ASP 381 Ca 0.21 0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.66 3hps h ASP 381 Cb 0.19 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.28 3hps h ASP 381 CO -0.02 0.01 0.30 0.00 -2.88 0.00 0.00 179.24 176.65 3hps h ALA 382 N 1.17 0.96 -0.55 -0.78 0.00 -0.77 -1.18 119.26 118.12 3hps h ALA 382 Ca 0.10 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hps h ALA 382 Cb 0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3hps h ALA 382 CO -0.15 0.58 0.34 0.82 0.00 0.00 0.00 179.25 180.84 3hps h ILE 383 N 1.07 1.09 -0.68 0.00 2.04 -0.67 -1.79 117.51 118.57 3hps h ILE 383 Ca 0.25 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.81 3hps h ILE 383 Cb 0.21 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 3hps h ILE 383 CO -0.02 0.12 0.17 0.78 0.00 0.00 0.00 178.15 179.20 3hps h ASN 384 N 0.68 1.01 -0.61 1.72 2.35 -0.71 -1.58 115.58 118.44 3hps h ASN 384 Ca 0.21 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 3hps h ASN 384 Cb -0.01 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.06 3hps h ASN 384 CO -0.08 0.97 0.12 0.11 -1.65 0.00 0.00 177.43 176.90 3hps h LYS 385 N 1.02 1.03 -0.32 0.81 1.57 -0.96 -0.90 116.57 118.81 3hps h LYS 385 Ca 0.21 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3hps h LYS 385 Cb 0.35 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3hps h LYS 385 CO 0.00 0.93 0.05 0.78 -0.57 0.00 0.00 179.45 180.65 3hps h GLY 386 N 1.04 0.58 1.28 3.86 0.00 -1.04 -1.79 103.07 107.00 3hps h GLY 386 Ca 0.20 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 3hps h GLY 386 CO 0.01 0.36 0.44 1.41 0.00 0.00 0.00 176.54 178.76 3hps h LEU 387 N 0.37 0.84 -0.25 3.11 3.38 -1.17 -0.89 115.31 120.70 3hps h LEU 387 Ca 0.10 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 3hps h LEU 387 Cb 0.35 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3hps h LEU 387 CO 0.01 0.64 -0.22 0.44 0.09 0.00 0.00 178.44 179.39 3hps h ASP 388 N 0.98 0.63 -0.50 -0.43 3.32 -0.97 -1.26 116.42 118.19 3hps h ASP 388 Ca 0.26 -0.46 -0.05 0.00 0.02 0.00 0.00 57.03 56.80 3hps h ASP 388 Cb -0.06 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 3hps h ASP 388 CO -0.05 0.96 0.16 0.00 -1.72 0.00 0.00 179.24 178.59 3hps h ALA 389 N 0.69 1.24 -0.45 3.45 0.00 -1.17 0.59 119.26 123.61 3hps h ALA 389 Ca 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3hps h ALA 389 Cb 0.77 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3hps h ALA 389 CO 0.06 0.53 0.20 0.52 0.00 0.00 0.00 179.25 180.56 3hps h MET 390 N 0.81 0.66 -0.66 0.00 2.86 -1.00 -2.15 114.93 115.45 3hps h MET 390 Ca 0.18 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.66 3hps h MET 390 Cb 0.26 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 3hps h MET 390 CO -0.01 0.58 0.21 0.87 1.06 0.00 0.00 176.91 179.63 3hps h LYS 391 N 0.59 1.02 0.12 1.72 1.57 -0.70 -1.61 116.57 119.27 3hps h LYS 391 Ca 0.15 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3hps h LYS 391 Cb 0.15 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 3hps h LYS 391 CO -0.02 0.89 -0.40 -0.07 -0.57 0.00 0.00 179.45 179.28 3hps h LEU 392 N 0.95 -1.19 -1.35 2.94 3.38 -0.78 -1.57 115.31 117.70 3hps h LEU 392 Ca 0.21 0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.38 3hps h LEU 392 Cb 0.29 0.45 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 3hps h LEU 392 CO -0.01 -0.48 0.49 0.44 0.09 0.00 0.00 178.44 178.98 3hps h ASP 393 N -0.63 0.69 -0.64 -0.43 3.32 -1.22 -0.84 116.42 116.67 3hps h ASP 393 Ca 0.02 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 3hps h ASP 393 Cb 0.66 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 3hps h ASP 393 CO -0.24 0.44 0.10 0.00 -1.72 0.00 0.00 179.24 177.82 3hps h ALA 394 N 1.60 0.85 -0.26 3.45 0.00 -0.87 -2.52 119.26 121.51 3hps h ALA 394 Ca 0.33 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3hps h ALA 394 Cb 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3hps h ALA 394 CO -0.11 0.62 -0.02 -0.44 0.00 0.00 0.00 179.25 179.30 3hps h ASP 395 N 0.98 0.47 0.00 0.00 3.32 -0.78 -1.05 116.42 119.36 3hps h ASP 395 Ca 0.19 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3hps h ASP 395 Cb 0.44 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3hps h ASP 395 CO 0.01 0.68 0.00 0.00 -1.72 0.00 0.00 179.24 178.22 3hps n ALA 396 N -2.36 2.02 -1.13 3.45 0.00 -0.37 -2.84 120.51 119.28 3hps n ALA 396 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3hps n ALA 396 Cb 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3hps n ALA 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hps n ALA 397 N -0.39 0.28 -3.94 0.00 0.00 -0.97 -5.02 120.51 110.46 3hps n ALA 397 Ca 0.00 -0.12 -0.32 0.00 0.00 0.00 0.00 53.44 52.99 3hps n ALA 397 Cb 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.47 3hps n ALA 397 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hps n ASP 398 N 0.00 -2.47 -4.24 0.00 9.92 -0.87 -5.00 116.55 113.88 3hps n ASP 398 Ca 0.00 -1.11 -0.21 0.00 -0.53 0.00 0.00 54.79 52.95 3hps n ASP 398 Cb 0.32 -2.68 -0.12 0.00 -0.64 0.00 0.00 41.12 38.00 3hps n ASP 398 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hps s ASP 400 N -2.04 6.74 0.50 0.00 3.68 -1.26 -4.48 116.67 119.81 3hps s ASP 400 Ca 0.05 2.51 0.16 0.00 2.13 0.00 0.00 52.55 57.40 3hps s ASP 400 Cb -0.09 -2.61 1.22 0.00 -1.45 0.00 0.00 42.92 40.00 3hps s ASP 400 CO 0.04 -0.67 2.12 0.58 0.13 0.00 0.00 175.17 177.37 3hps h VAL 401 N 3.84 0.99 0.00 1.11 2.07 -1.90 -2.04 116.25 120.32 3hps h VAL 401 Ca -0.44 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3hps h VAL 401 Cb 1.21 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3hps h VAL 401 CO 0.82 0.01 0.00 0.47 0.02 0.00 0.00 177.57 178.89 3hps n ASP 402 N -4.52 0.00 -0.50 0.57 8.00 -1.26 -1.75 116.55 117.09 3hps n ASP 402 Ca -0.01 0.34 0.06 0.00 0.71 0.00 0.00 54.79 55.88 3hps n ASP 402 Cb 0.13 -0.42 0.08 0.00 -0.02 0.00 0.00 41.12 40.88 3hps n ASP 402 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3hps n ASP 403 N -1.42 2.21 -4.92 -2.24 8.00 -0.77 -5.03 116.55 112.37 3hps n ASP 403 Ca 0.05 -1.61 -0.26 0.00 0.71 0.00 0.00 54.79 53.68 3hps n ASP 403 Cb 0.17 -0.07 0.01 0.00 -0.02 0.00 0.00 41.12 41.21 3hps n ASP 403 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3hps s MET 404 N -0.94 3.26 0.03 -1.24 -1.94 -0.72 -5.01 119.30 112.74 3hps s MET 404 Ca 0.16 -0.09 -0.35 0.00 -1.71 0.00 0.00 55.69 53.70 3hps s MET 404 Cb 0.10 -2.43 -0.14 0.00 2.01 0.00 0.00 34.83 34.37 3hps s MET 404 CO 0.14 -0.30 1.61 -0.11 -0.01 0.00 0.00 175.02 176.35 3hps n LEU 405 N -2.24 2.73 -4.69 -0.03 7.94 -1.26 -4.90 117.00 114.56 3hps n LEU 405 Ca 0.01 1.07 -0.42 0.00 -1.11 0.00 0.00 56.01 55.55 3hps n LEU 405 Cb 0.56 -1.32 -0.03 0.00 0.53 0.00 0.00 43.42 43.17 3hps n LEU 405 CO 0.51 -0.44 1.03 0.86 -1.11 0.00 0.00 177.39 178.24 3hps s TRP 406 N 1.83 3.03 -0.40 1.96 -0.11 -1.26 -4.96 118.94 119.03 3hps s TRP 406 Ca 0.86 1.04 0.08 0.00 1.22 0.00 0.00 56.10 59.30 3hps s TRP 406 Cb -0.80 -3.52 0.25 0.00 -1.50 0.00 0.00 33.47 27.90 3hps s TRP 406 CO 0.47 -1.80 0.53 1.04 -4.62 0.00 0.00 176.95 172.56 3hps n GLN 407 N 5.34 0.80 -3.83 5.86 1.13 -1.26 -5.07 117.38 120.35 3hps n GLN 407 Ca 0.12 -3.30 -0.25 0.00 -1.94 0.00 0.00 57.00 51.63 3hps n GLN 407 Cb 0.45 -1.27 -0.17 0.00 0.11 0.00 0.00 30.24 29.35 3hps n GLN 407 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3hps s VAL 408 N -1.23 0.69 0.39 5.09 1.01 -1.26 -4.57 120.40 120.52 3hps s VAL 408 Ca 0.35 -0.15 -0.25 0.00 0.00 0.00 0.00 61.98 61.93 3hps s VAL 408 Cb 0.17 -0.83 -0.11 0.00 0.00 0.00 0.00 36.38 35.61 3hps s VAL 408 CO -0.11 0.25 1.08 -2.65 0.00 0.00 0.00 175.10 173.67 3hps n PRO 409 N 5.04 1.52 0.00 2.72 -0.02 -1.26 -2.65 135.00 140.35 3hps n PRO 409 Ca -0.10 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3hps n PRO 409 Cb 0.50 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 3hps n PRO 409 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hps n TYR 410 N -0.26 0.00 -3.88 6.00 4.02 -1.26 -4.47 117.16 117.31 3hps n TYR 410 Ca 0.08 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.63 3hps n TYR 410 Cb 0.38 -0.23 -0.13 0.00 -0.02 0.00 0.00 39.34 39.34 3hps n TYR 410 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3hps s LEU 411 N 0.00 4.61 0.39 7.72 1.02 -1.08 -4.98 118.68 126.35 3hps s LEU 411 Ca 0.00 -1.77 0.07 0.00 0.02 0.00 0.00 54.13 52.45 3hps s LEU 411 Cb 0.00 -1.74 0.81 0.00 0.02 0.00 0.00 46.19 45.28 3hps s LEU 411 CO 0.00 -0.40 2.00 -0.65 0.02 0.00 0.00 176.35 177.32 3hps h PRO 412 N 7.93 0.64 -5.01 1.29 0.11 -1.92 -3.42 132.00 131.61 3hps h PRO 412 Ca -0.14 -0.04 -0.32 0.00 0.11 0.00 0.00 66.00 65.61 3hps h PRO 412 Cb 1.05 -0.14 -0.15 0.00 0.11 0.00 0.00 31.00 31.87 3hps h PRO 412 CO 0.60 0.42 -0.70 0.96 -0.21 0.00 0.00 178.00 179.06 3hps s ILE 413 N -5.58 1.08 -0.19 4.15 -4.36 -1.26 -5.00 121.20 110.03 3hps s ILE 413 Ca -0.09 -2.04 -0.29 0.00 -0.26 0.00 0.00 60.65 57.97 3hps s ILE 413 Cb 0.19 -1.90 -0.03 0.00 1.25 0.00 0.00 42.46 41.96 3hps s ILE 413 CO 0.76 -0.70 1.70 -0.62 0.24 0.00 0.00 174.94 176.32 3hps s ASP 414 N -3.17 6.32 0.45 4.36 -1.08 -1.26 -4.89 116.67 117.39 3hps s ASP 414 Ca 0.18 1.76 0.22 0.00 -0.52 0.00 0.00 52.55 54.19 3hps s ASP 414 Cb 0.03 -2.53 1.20 0.00 -1.46 0.00 0.00 42.92 40.16 3hps s ASP 414 CO 0.01 -1.29 1.85 -0.65 0.52 0.00 0.00 175.17 175.62 3hps h PRO 415 N 11.04 0.28 0.00 4.34 0.11 -1.93 0.90 132.00 146.74 3hps h PRO 415 Ca -0.36 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.73 3hps h PRO 415 Cb 1.17 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hps h PRO 415 CO 0.99 0.19 -0.01 0.00 -0.21 0.00 0.00 178.00 178.95 3hps h ARG 416 N 0.29 0.00 0.00 1.05 -0.00 -1.83 0.18 114.38 114.07 3hps h ARG 416 Ca 0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.96 3hps h ARG 416 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.36 3hps h ARG 416 CO -0.15 0.01 0.00 -0.25 0.00 0.00 0.00 179.97 179.59 3hps n ASP 417 N -4.19 0.67 -0.08 7.04 8.00 0.31 -1.43 116.55 126.88 3hps n ASP 417 Ca -0.03 0.70 0.07 0.00 0.71 0.00 0.00 54.79 56.24 3hps n ASP 417 Cb 0.10 -0.82 0.11 0.00 -0.02 0.00 0.00 41.12 40.48 3hps n ASP 417 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3hps n VAL 418 N -2.27 1.65 -1.03 2.53 0.24 -0.58 -4.36 118.33 114.52 3hps n VAL 418 Ca 0.01 -1.91 -0.01 0.00 -2.04 0.00 0.00 64.34 60.39 3hps n VAL 418 Cb 0.18 -0.04 -0.00 0.00 -1.47 0.00 0.00 33.84 32.51 3hps n VAL 418 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hps n GLY 419 N -1.15 0.47 3.78 7.63 0.00 -0.51 -1.44 105.19 113.96 3hps n GLY 419 Ca 0.12 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 3hps n GLY 419 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hps n ARG 420 N -2.95 0.68 -4.27 1.61 5.12 0.52 -4.85 116.66 112.52 3hps n ARG 420 Ca -0.01 -3.37 -0.19 0.00 -1.93 0.00 0.00 57.85 52.35 3hps n ARG 420 Cb 0.04 0.30 -0.13 0.00 -1.16 0.00 0.00 32.46 31.51 3hps n ARG 420 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3hps s THR 421 N -2.69 1.08 0.11 0.55 -4.23 -1.26 -2.50 115.64 106.69 3hps s THR 421 Ca 0.34 -1.11 -0.31 0.00 -1.18 0.00 0.00 61.69 59.44 3hps s THR 421 Cb -0.03 -1.00 -0.07 0.00 1.34 0.00 0.00 72.50 72.74 3hps s THR 421 CO 0.22 -0.10 1.32 -0.47 -0.54 0.00 0.00 174.62 175.05 3hps s TYR 422 N -1.02 3.31 -0.31 3.99 5.04 -1.26 -4.84 117.35 122.26 3hps s TYR 422 Ca -0.00 1.08 0.02 0.00 -2.44 0.00 0.00 57.07 55.73 3hps s TYR 422 Cb -0.09 -3.60 0.08 0.00 0.35 0.00 0.00 41.96 38.71 3hps s TYR 422 CO 0.02 -2.01 -0.00 -1.21 -1.34 0.00 0.00 175.55 171.01 3hps s GLU 423 N 0.98 1.98 -0.97 4.97 2.02 -0.71 -5.04 118.70 121.94 3hps s GLU 423 Ca 0.62 -1.57 -0.22 0.00 0.02 0.00 0.00 54.97 53.82 3hps s GLU 423 Cb -0.35 -3.12 0.07 0.00 0.10 0.00 0.00 34.13 30.84 3hps s GLU 423 CO 0.31 -0.76 1.33 0.00 0.02 0.00 0.00 175.26 176.15 3hps s ALA 424 N 1.06 2.93 -0.02 5.21 0.00 -1.26 -2.01 121.76 127.66 3hps s ALA 424 Ca 0.00 -2.36 -0.24 0.00 0.00 0.00 0.00 51.96 49.37 3hps s ALA 424 Cb -0.20 -4.35 -0.04 0.00 0.00 0.00 0.00 23.12 18.53 3hps s ALA 424 CO -0.05 -3.38 0.71 0.08 0.00 0.00 0.00 175.76 173.12 3hps s VAL 425 N 4.28 4.93 -0.70 0.00 1.01 -1.04 -5.00 120.40 123.88 3hps s VAL 425 Ca 0.41 1.49 0.03 0.00 0.00 0.00 0.00 61.98 63.90 3hps s VAL 425 Cb -0.02 -4.05 0.35 0.00 0.00 0.00 0.00 36.38 32.65 3hps s VAL 425 CO -0.08 0.30 1.29 -0.38 0.00 0.00 0.00 175.10 176.24 3hps n ILE 426 N 3.36 3.84 0.00 2.22 5.41 -1.26 -4.61 119.36 128.31 3hps n ILE 426 Ca -0.02 -5.50 0.00 0.00 1.00 0.00 0.00 62.75 58.23 3hps n ILE 426 Cb 0.51 -1.41 0.00 0.00 -0.71 0.00 0.00 39.64 38.03 3hps n ILE 426 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3hps n LYS 434 N -0.26 0.00 0.02 0.38 5.02 -1.26 -5.22 118.16 116.85 3hps n LYS 434 Ca 0.38 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.49 3hps n LYS 434 Cb 0.38 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.31 3hps n LYS 434 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3hps h GLY 435 N 0.00 0.77 -0.24 0.72 0.00 -2.01 -3.48 103.07 98.84 3hps h GLY 435 Ca 0.00 -1.24 -0.06 0.00 0.00 0.00 0.00 47.33 46.03 3hps h GLY 435 CO 0.00 1.10 -0.06 0.61 0.00 0.00 0.00 176.54 178.19 3hps n GLY 436 N 0.92 0.48 0.16 4.60 0.00 -1.26 -4.97 105.19 105.12 3hps n GLY 436 Ca -0.09 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 44.96 3hps n GLY 436 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hps h VAL 437 N 0.00 0.67 -0.29 1.61 2.07 -1.95 -0.54 116.25 117.82 3hps h VAL 437 Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3hps h VAL 437 Cb 0.48 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3hps h VAL 437 CO 0.09 0.00 0.16 0.00 0.02 0.00 0.00 177.57 177.84 3hps h ALA 438 N 1.06 0.38 -0.33 1.67 0.00 -1.94 -0.50 119.26 119.60 3hps h ALA 438 Ca 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3hps h ALA 438 Cb 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3hps h ALA 438 CO -0.25 -0.09 0.13 -0.92 0.00 0.00 0.00 179.25 178.12 3hps h TYR 439 N 0.36 0.50 -0.22 0.00 3.20 -1.90 -1.98 116.97 116.92 3hps h TYR 439 Ca 0.10 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 3hps h TYR 439 Cb 0.07 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 3hps h TYR 439 CO -0.03 0.47 -0.04 0.82 -1.64 0.00 0.00 178.16 177.73 3hps h ILE 440 N 0.38 1.28 -0.80 1.81 2.04 -0.86 0.14 117.51 121.50 3hps h ILE 440 Ca 0.11 -1.01 -0.03 0.00 1.00 0.00 0.00 64.86 64.93 3hps h ILE 440 Cb 0.18 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 3hps h ILE 440 CO -0.01 0.31 0.40 0.24 0.00 0.00 0.00 178.15 179.09 3hps h MET 441 N 0.16 1.15 -0.01 2.37 2.86 -1.08 -0.27 114.93 120.11 3hps h MET 441 Ca 0.06 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3hps h MET 441 Cb 0.49 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 3hps h MET 441 CO 0.02 0.88 -0.01 0.87 1.06 0.00 0.00 176.91 179.73 3hps h LYS 442 N 1.13 0.03 -0.17 1.72 6.56 -0.80 -2.20 116.57 122.83 3hps h LYS 442 Ca 0.28 -0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.82 3hps h LYS 442 Cb 0.10 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.75 3hps h LYS 442 CO -0.04 0.51 -0.02 1.15 -2.06 0.00 0.00 179.45 178.99 3hps h THR 443 N -0.45 1.27 0.00 -0.16 2.02 -0.79 -1.35 112.91 113.45 3hps h THR 443 Ca 0.00 -0.92 -0.09 0.00 0.77 0.00 0.00 66.41 66.17 3hps h THR 443 Cb 0.50 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 3hps h THR 443 CO 0.00 0.28 -1.22 0.47 0.37 0.00 0.00 175.52 175.42 3hps n ASP 444 N -4.70 0.86 0.00 4.18 8.00 -0.13 -4.53 116.55 120.23 3hps n ASP 444 Ca -0.05 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.81 3hps n ASP 444 Cb 0.24 0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 3hps n ASP 444 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3hps n HIS 445 N -2.79 0.00 -1.96 1.24 8.25 -0.88 -5.03 115.22 114.05 3hps n HIS 445 Ca -0.05 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.26 3hps n HIS 445 Cb 0.70 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.78 3hps n HIS 445 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hps n GLY 446 N 0.12 0.44 3.44 -1.41 0.00 -0.51 -4.95 105.19 102.33 3hps n GLY 446 Ca 0.00 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 3hps n GLY 446 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hps s LEU 447 N -3.95 3.35 -0.83 0.99 1.43 -0.96 -4.68 118.68 114.02 3hps s LEU 447 Ca 0.00 -0.21 -0.15 0.00 -1.03 0.00 0.00 54.13 52.74 3hps s LEU 447 Cb 0.00 -1.88 0.20 0.00 0.03 0.00 0.00 46.19 44.54 3hps s LEU 447 CO 0.00 0.01 0.83 -0.44 0.23 0.00 0.00 176.35 176.98 3hps s SER 448 N 1.32 6.70 0.20 2.29 0.01 -1.26 -2.11 113.70 120.85 3hps s SER 448 Ca 0.05 -2.50 -0.31 0.00 1.31 0.00 0.00 55.95 54.50 3hps s SER 448 Cb -0.15 -2.25 -0.09 0.00 0.21 0.00 0.00 66.02 63.74 3hps s SER 448 CO 0.02 -0.69 1.44 -0.76 0.41 0.00 0.00 173.24 173.66 3hps s LEU 449 N 0.76 4.39 0.53 2.44 1.43 -1.26 -4.99 118.68 121.98 3hps s LEU 449 Ca 0.20 2.56 -0.20 0.00 -1.03 0.00 0.00 54.13 55.65 3hps s LEU 449 Cb -0.10 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.43 3hps s LEU 449 CO -0.08 -0.69 0.84 -2.65 0.23 0.00 0.00 176.35 174.00 3hps n PRO 450 N 3.00 0.91 -0.16 1.29 -0.02 -1.26 -4.69 135.00 134.08 3hps n PRO 450 Ca 0.09 0.34 -0.03 0.00 -2.02 0.00 0.00 63.50 61.89 3hps n PRO 450 Cb 0.41 -1.98 0.06 0.00 -0.02 0.00 0.00 33.50 31.97 3hps n PRO 450 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3hps h ARG 451 N 0.74 0.26 0.00 -0.52 -0.00 -1.99 0.32 114.38 113.19 3hps h ARG 451 Ca -0.46 -0.02 -0.07 0.00 -0.00 0.00 0.00 59.98 59.43 3hps h ARG 451 Cb 1.37 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.97 31.27 3hps h ARG 451 CO 0.52 0.17 -0.33 0.00 -0.00 0.00 0.00 179.97 180.33 3hps h ARG 452 N 0.27 0.00 -0.37 0.08 3.08 -2.00 -0.92 114.38 114.52 3hps h ARG 452 Ca 0.24 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.15 3hps h ARG 452 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3hps h ARG 452 CO -0.29 0.33 -0.34 1.25 -1.07 0.00 0.00 179.97 179.85 3hps h LEU 453 N 0.00 0.94 -0.38 3.04 5.85 -1.51 -1.32 115.31 121.92 3hps h LEU 453 Ca -0.00 -0.46 0.06 0.00 0.84 0.00 0.00 57.88 58.32 3hps h LEU 453 Cb 0.60 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 3hps h LEU 453 CO 0.04 1.20 0.05 1.56 -0.34 0.00 0.00 178.44 180.96 3hps h GLN 454 N 0.69 0.17 0.69 1.25 4.20 -0.08 0.29 115.11 122.31 3hps h GLN 454 Ca 0.06 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 3hps h GLN 454 Cb 0.92 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 3hps h GLN 454 CO 0.09 0.11 -0.48 0.82 -0.67 0.00 0.00 178.83 178.69 3hps h ILE 455 N 0.17 0.04 -0.58 2.54 1.08 -1.14 0.88 117.51 120.50 3hps h ILE 455 Ca 0.18 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.76 3hps h ILE 455 Cb 0.23 0.04 -0.11 0.00 -3.07 0.00 0.00 36.82 33.90 3hps h ILE 455 CO -0.26 0.00 -0.28 -0.08 -0.69 0.00 0.00 178.15 176.85 3hps h GLU 456 N -1.12 -0.12 -0.44 2.37 4.81 -0.97 -1.87 114.58 117.24 3hps h GLU 456 Ca -0.09 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.01 3hps h GLU 456 Cb 0.92 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 3hps h GLU 456 CO 0.05 -0.08 -0.28 0.35 -0.73 0.00 0.00 179.01 178.32 3hps h PHE 457 N -0.13 1.12 -0.01 0.92 3.57 -0.37 -2.85 116.94 119.19 3hps h PHE 457 Ca 0.25 -0.30 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 3hps h PHE 457 Cb 0.53 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 3hps h PHE 457 CO -0.58 1.12 -0.08 0.66 -2.23 0.00 0.00 178.31 177.19 3hps h SER 458 N 0.80 0.02 -0.55 0.41 4.64 -0.51 -0.64 113.55 117.72 3hps h SER 458 Ca 0.09 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3hps h SER 458 Cb 0.86 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.92 3hps h SER 458 CO 0.08 0.11 0.35 1.56 -0.87 0.00 0.00 176.83 178.05 3hps h GLN 459 N 0.02 0.73 -0.24 4.77 7.50 -1.12 0.35 115.11 127.13 3hps h GLN 459 Ca 0.00 -0.05 0.03 0.00 0.50 0.00 0.00 58.65 59.13 3hps h GLN 459 Cb 0.16 -0.16 -0.03 0.00 0.05 0.00 0.00 27.48 27.51 3hps h GLN 459 CO 0.01 0.50 0.05 -0.24 -1.50 0.00 0.00 178.83 177.65 3hps h VAL 460 N 0.74 0.90 -0.14 -0.54 3.04 -1.11 -2.71 116.25 116.42 3hps h VAL 460 Ca 0.20 -0.05 0.03 0.00 -1.01 0.00 0.00 66.70 65.87 3hps h VAL 460 Cb -0.05 0.74 -0.03 0.00 -2.01 0.00 0.00 31.29 29.93 3hps h VAL 460 CO -0.04 0.03 -0.07 0.40 -1.01 0.00 0.00 177.57 176.87 3hps h ILE 461 N 0.14 0.77 -0.20 3.17 1.08 -0.86 -2.67 117.51 118.94 3hps h ILE 461 Ca 0.11 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.63 3hps h ILE 461 Cb 0.10 0.77 -0.07 0.00 -3.07 0.00 0.00 36.82 34.56 3hps h ILE 461 CO -0.14 0.00 -0.28 1.56 -0.69 0.00 0.00 178.15 178.60 3hps h GLN 462 N -0.06 -0.30 -0.88 2.37 7.50 -0.23 -1.17 115.11 122.34 3hps h GLN 462 Ca 0.08 0.02 0.19 0.00 0.50 0.00 0.00 58.65 59.44 3hps h GLN 462 Cb 0.18 0.07 -0.11 0.00 0.05 0.00 0.00 27.48 27.66 3hps h GLN 462 CO -0.18 -0.20 0.42 1.57 -1.50 0.00 0.00 178.83 178.95 3hps h LYS 463 N -0.31 0.49 0.00 1.46 5.09 -1.36 -3.51 116.57 118.43 3hps h LYS 463 Ca 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.83 3hps h LYS 463 Cb 0.50 -0.11 0.00 0.00 0.10 0.00 0.00 32.23 32.72 3hps h LYS 463 CO -0.38 0.33 0.00 0.44 -2.09 0.00 0.00 179.45 177.75 3hps n ILE 464 N -4.96 0.00 -1.64 0.07 -5.35 -0.44 -5.13 119.36 101.90 3hps n ILE 464 Ca 0.20 1.20 -0.45 0.00 -0.27 0.00 0.00 62.75 63.43 3hps n ILE 464 Cb 0.56 -2.15 -0.02 0.00 -1.74 0.00 0.00 39.64 36.29 3hps n ILE 464 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 3hps n GLU 474 N -1.63 1.73 -3.18 6.28 2.13 -1.26 -5.04 120.64 119.68 3hps n GLU 474 Ca 0.00 0.61 -0.39 0.00 0.66 0.00 0.00 57.16 58.04 3hps n GLU 474 Cb 0.00 -2.14 -0.05 0.00 0.27 0.00 0.00 31.44 29.51 3hps n GLU 474 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3hps s VAL 475 N -0.64 4.94 0.92 6.31 -7.23 -1.26 -5.06 120.40 118.37 3hps s VAL 475 Ca 0.63 1.26 -0.11 0.00 -1.81 0.00 0.00 61.98 61.95 3hps s VAL 475 Cb -0.67 -3.94 0.14 0.00 0.56 0.00 0.00 36.38 32.47 3hps s VAL 475 CO 0.56 0.39 1.09 -0.94 -0.31 0.00 0.00 175.10 175.89 3hps s SER 476 N -0.02 3.21 0.25 4.85 1.04 -1.26 -4.74 113.70 117.02 3hps s SER 476 Ca 0.32 1.61 -0.04 0.00 0.48 0.00 0.00 55.95 58.32 3hps s SER 476 Cb -0.18 -2.27 0.45 0.00 0.10 0.00 0.00 66.02 64.13 3hps s SER 476 CO 0.17 -2.83 1.75 -0.65 0.98 0.00 0.00 173.24 172.66 3hps h PRO 477 N -1.68 0.51 -0.59 4.02 0.11 -1.98 0.05 132.00 132.44 3hps h PRO 477 Ca -0.49 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.50 3hps h PRO 477 Cb 1.28 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3hps h PRO 477 CO 0.52 0.34 0.05 0.87 -0.21 0.00 0.00 178.00 179.57 3hps h LYS 478 N 0.53 1.01 -0.59 1.05 6.56 -2.00 -1.41 116.57 121.72 3hps h LYS 478 Ca 0.41 -0.29 -0.07 0.00 -1.06 0.00 0.00 60.65 59.64 3hps h LYS 478 Cb 0.58 -0.10 -0.03 0.00 -0.57 0.00 0.00 32.23 32.11 3hps h LYS 478 CO -0.36 0.97 0.09 0.93 -2.06 0.00 0.00 179.45 179.02 3hps h GLU 479 N 0.90 0.96 -0.14 3.15 5.08 -1.83 -1.70 114.58 121.00 3hps h GLU 479 Ca 0.17 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3hps h GLU 479 Cb 0.48 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3hps h GLU 479 CO 0.02 0.89 0.05 1.98 -1.00 0.00 0.00 179.01 180.95 3hps h MET 480 N 0.90 0.12 -0.40 2.33 4.05 -0.72 -1.40 114.93 119.81 3hps h MET 480 Ca 0.18 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.60 3hps h MET 480 Cb 0.40 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.15 3hps h MET 480 CO 0.01 0.08 0.25 2.35 0.23 0.00 0.00 176.91 179.83 3hps h TRP 481 N 0.13 0.52 -0.78 1.39 2.91 -1.16 -0.64 115.95 118.32 3hps h TRP 481 Ca 0.06 0.00 0.08 0.00 1.13 0.00 0.00 58.89 60.16 3hps h TRP 481 Cb 0.03 -0.17 -0.07 0.00 -0.51 0.00 0.00 29.16 28.44 3hps h TRP 481 CO -0.10 0.36 0.44 -0.44 -1.03 0.00 0.00 178.44 177.67 3hps h ASP 482 N 0.53 0.64 -0.55 2.65 3.32 -1.22 0.12 116.42 121.90 3hps h ASP 482 Ca 0.14 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 3hps h ASP 482 Cb -0.01 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3hps h ASP 482 CO -0.03 0.38 -0.08 0.00 -1.72 0.00 0.00 179.24 177.80 3hps h ALA 483 N 1.42 0.76 -0.11 3.45 0.00 -0.96 -0.76 119.26 123.07 3hps h ALA 483 Ca 0.37 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hps h ALA 483 Cb 0.30 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hps h ALA 483 CO -0.23 0.65 0.04 0.35 0.00 0.00 0.00 179.25 180.07 3hps h PHE 484 N 0.91 0.17 -0.53 0.00 3.04 -0.57 -1.01 116.94 118.95 3hps h PHE 484 Ca 0.15 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.11 3hps h PHE 484 Cb 0.64 -0.05 -0.04 0.00 2.56 0.00 0.00 35.95 39.07 3hps h PHE 484 CO 0.05 0.27 0.32 0.00 -2.02 0.00 0.00 178.31 176.92 3hps h ALA 485 N 0.88 0.68 -0.78 2.41 0.00 -0.72 -1.21 119.26 120.53 3hps h ALA 485 Ca 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3hps h ALA 485 Cb 0.17 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3hps h ALA 485 CO -0.00 0.02 0.40 1.05 0.00 0.00 0.00 179.25 180.72 3hps h GLU 486 N 0.62 1.10 0.02 0.00 9.09 -0.83 0.11 114.58 124.69 3hps h GLU 486 Ca 0.22 -0.14 -0.00 0.00 0.05 0.00 0.00 59.36 59.49 3hps h GLU 486 Cb 0.03 -0.21 0.00 0.00 -1.65 0.00 0.00 28.75 26.92 3hps h GLU 486 CO -0.10 0.83 -0.01 0.93 0.05 0.00 0.00 179.01 180.71 3hps h GLU 487 N 1.10 -0.02 0.00 1.06 4.39 -0.94 -3.38 114.58 116.78 3hps h GLU 487 Ca 0.27 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.85 3hps h GLU 487 Cb 0.07 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 3hps h GLU 487 CO -0.04 0.60 -1.63 0.66 -1.16 0.00 0.00 179.01 177.45 3hps n TYR 488 N -4.80 0.00 -0.07 4.33 4.01 -0.48 -4.67 117.16 115.48 3hps n TYR 488 Ca -0.09 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.53 3hps n TYR 488 Cb 0.31 -0.41 -0.06 0.00 -0.31 0.00 0.00 39.34 38.87 3hps n TYR 488 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3hps n LEU 489 N -2.20 2.36 0.08 7.72 4.77 -0.40 -4.43 117.00 124.89 3hps n LEU 489 Ca -0.11 0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.76 3hps n LEU 489 Cb 0.64 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 3hps n LEU 489 CO 0.22 0.60 0.16 0.00 -1.33 0.00 0.00 177.39 177.04 3hps h ALA 490 N -0.19 0.36 -2.81 -1.18 0.00 -1.08 -3.48 119.26 110.90 3hps h ALA 490 Ca -0.35 -0.76 -0.55 0.00 0.00 0.00 0.00 54.91 53.26 3hps h ALA 490 Cb 1.45 -0.04 0.11 0.00 0.00 0.00 0.00 17.79 19.32 3hps h ALA 490 CO -0.11 0.89 0.67 -2.30 0.00 0.00 0.00 179.25 178.40 3hps n PRO 491 N -3.66 2.44 0.00 0.00 -0.02 -1.26 -4.89 135.00 127.61 3hps n PRO 491 Ca -0.06 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3hps n PRO 491 Cb 0.87 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 3hps n PRO 491 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3hps n VAL 492 N 0.31 0.21 -4.20 -1.45 3.14 -1.26 -4.95 118.33 110.12 3hps n VAL 492 Ca 0.03 -0.33 -0.16 0.00 -2.96 0.00 0.00 64.34 60.92 3hps n VAL 492 Cb 0.38 1.19 -0.14 0.00 -1.06 0.00 0.00 33.84 34.21 3hps n VAL 492 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 3hps s ARG 493 N -0.21 0.54 0.16 1.45 0.52 -1.26 -3.47 118.95 116.67 3hps s ARG 493 Ca 0.00 -0.34 0.25 0.00 -0.52 0.00 0.00 55.73 55.12 3hps s ARG 493 Cb 0.00 -0.49 0.92 0.00 0.52 0.00 0.00 34.95 35.91 3hps s ARG 493 CO 0.00 0.13 1.76 -0.35 0.02 0.00 0.00 175.30 176.86 3hps n PRO 494 N 2.62 0.17 -4.85 3.54 -0.04 -1.26 -4.84 135.00 130.34 3hps n PRO 494 Ca -0.15 0.22 -0.33 0.00 -0.04 0.00 0.00 63.50 63.20 3hps n PRO 494 Cb 0.57 -1.73 -0.15 0.00 -0.04 0.00 0.00 33.50 32.15 3hps n PRO 494 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3hps s LEU 495 N -4.05 2.50 -0.07 1.53 2.96 -1.25 -0.33 118.68 119.97 3hps s LEU 495 Ca 0.10 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.62 3hps s LEU 495 Cb 0.13 -1.55 0.01 0.00 0.50 0.00 0.00 46.19 45.28 3hps s LEU 495 CO 0.50 0.15 -0.17 -0.70 -1.32 0.00 0.00 176.35 174.81 3hps s GLU 496 N 0.44 2.11 -0.33 1.98 2.12 -0.29 -4.45 118.70 120.28 3hps s GLU 496 Ca -0.12 -0.60 -0.15 0.00 0.36 0.00 0.00 54.97 54.47 3hps s GLU 496 Cb -0.16 -1.70 -0.02 0.00 0.26 0.00 0.00 34.13 32.51 3hps s GLU 496 CO 0.05 0.13 0.35 0.50 -0.54 0.00 0.00 175.26 175.75 3hps s ARG 497 N 0.41 3.67 -0.14 4.30 3.52 -1.26 -0.14 118.95 129.31 3hps s ARG 497 Ca -0.13 -0.34 -0.13 0.00 -0.13 0.00 0.00 55.73 55.00 3hps s ARG 497 Cb -0.15 -3.77 -0.10 0.00 -1.56 0.00 0.00 34.95 29.37 3hps s ARG 497 CO 0.05 -0.45 0.15 0.82 -0.81 0.00 0.00 175.30 175.06 3hps h ILE 498 N 5.50 0.56 -2.60 4.11 1.08 -1.41 -3.49 117.51 121.26 3hps h ILE 498 Ca -0.31 -1.52 0.11 0.00 -0.39 0.00 0.00 64.86 62.76 3hps h ILE 498 Cb 1.15 1.15 -0.09 0.00 -3.07 0.00 0.00 36.82 35.96 3hps h ILE 498 CO 0.67 0.19 0.38 0.00 -0.69 0.00 0.00 178.15 178.70 3hps s ARG 499 N -2.04 1.31 0.06 2.37 1.70 -1.19 -5.03 118.95 116.13 3hps s ARG 499 Ca -0.14 -0.67 -0.20 0.00 -0.47 0.00 0.00 55.73 54.25 3hps s ARG 499 Cb 0.01 0.48 0.05 0.00 -0.57 0.00 0.00 34.95 34.92 3hps s ARG 499 CO 0.32 -0.59 0.47 1.14 -1.08 0.00 0.00 175.30 175.56 3hps s GLN 500 N -3.50 1.02 -0.25 3.89 0.00 -1.26 -1.36 119.66 118.20 3hps s GLN 500 Ca 0.09 -0.35 -0.05 0.00 -0.00 0.00 0.00 55.36 55.05 3hps s GLN 500 Cb -0.03 0.46 -0.00 0.00 0.00 0.00 0.00 33.01 33.44 3hps s GLN 500 CO -0.00 -0.37 -0.00 -1.58 0.00 0.00 0.00 175.29 173.33 3hps s HIS 501 N -2.72 3.04 -0.27 9.60 2.46 0.55 -4.99 115.29 122.96 3hps s HIS 501 Ca -0.04 -1.00 -0.15 0.00 0.47 0.00 0.00 55.06 54.35 3hps s HIS 501 Cb -0.00 -2.15 -0.04 0.00 -0.13 0.00 0.00 32.58 30.26 3hps s HIS 501 CO -0.04 -0.57 0.36 0.08 -2.47 0.00 0.00 174.74 172.10 3hps s VAL 502 N 1.47 5.18 -0.84 0.89 1.01 -1.26 -1.91 120.40 124.95 3hps s VAL 502 Ca 0.04 0.53 -0.10 0.00 0.00 0.00 0.00 61.98 62.45 3hps s VAL 502 Cb -0.15 -3.69 0.22 0.00 0.00 0.00 0.00 36.38 32.75 3hps s VAL 502 CO -0.01 0.16 0.76 -0.62 0.00 0.00 0.00 175.10 175.38 3hps s ASP 503 N 1.65 6.47 0.31 3.32 2.15 0.11 -5.00 116.67 125.68 3hps s ASP 503 Ca 0.14 -2.98 -0.28 0.00 0.43 0.00 0.00 52.55 49.87 3hps s ASP 503 Cb -0.16 -2.11 -0.09 0.00 -0.30 0.00 0.00 42.92 40.26 3hps s ASP 503 CO 0.10 -0.44 1.01 0.00 -0.17 0.00 0.00 175.17 175.66 3hps s ALA 504 N -0.28 3.27 0.08 3.66 0.00 -1.26 -1.31 121.76 125.92 3hps s ALA 504 Ca 0.21 0.68 -0.31 0.00 0.00 0.00 0.00 51.96 52.54 3hps s ALA 504 Cb -0.12 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 3hps s ALA 504 CO -0.08 0.01 1.88 0.00 0.00 0.00 0.00 175.76 177.57 3hps n ALA 505 N 0.83 1.86 -0.26 0.00 0.00 -1.18 -4.91 120.51 116.85 3hps n ALA 505 Ca 0.01 0.28 -0.06 0.00 0.00 0.00 0.00 53.44 53.67 3hps n ALA 505 Cb 0.48 -2.61 0.08 0.00 0.00 0.00 0.00 19.45 17.40 3hps n ALA 505 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3hps h ASP 506 N 9.18 1.05 -2.98 0.00 5.19 -1.94 -3.44 116.42 123.48 3hps h ASP 506 Ca -0.48 -0.18 -0.61 0.00 -0.62 0.00 0.00 57.03 55.14 3hps h ASP 506 Cb 1.23 -0.27 -0.05 0.00 0.18 0.00 0.00 39.33 40.42 3hps h ASP 506 CO 0.94 0.96 -0.27 -1.81 -3.12 0.00 0.00 179.24 175.94 3hps s ASP 507 N -6.42 6.67 0.25 6.45 1.01 -1.26 -5.04 116.67 118.33 3hps s ASP 507 Ca -0.12 0.80 -0.31 0.00 0.71 0.00 0.00 52.55 53.63 3hps s ASP 507 Cb 0.15 -2.19 -0.12 0.00 1.01 0.00 0.00 42.92 41.78 3hps s ASP 507 CO 0.84 0.28 1.63 0.47 0.21 0.00 0.00 175.17 178.60 3hps n ASP 508 N 1.49 3.77 0.00 0.27 8.00 -1.26 -1.25 116.55 127.57 3hps n ASP 508 Ca -0.13 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.48 3hps n ASP 508 Cb 0.53 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 3hps n ASP 508 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hps n GLY 509 N 2.91 1.44 3.82 0.44 0.00 -1.26 -5.05 105.19 107.48 3hps n GLY 509 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3hps n GLY 509 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hps s GLY 510 N -1.98 1.59 0.17 -0.02 0.00 -0.38 -5.05 107.32 101.64 3hps s GLY 510 Ca 0.00 -0.62 -0.26 0.00 0.00 0.00 0.00 44.72 43.84 3hps s GLY 510 CO 0.00 -0.05 0.79 -1.59 0.00 0.00 0.00 173.10 172.25 3hps s THR 511 N -3.39 4.35 -0.11 0.90 2.01 -1.26 -4.74 115.64 113.39 3hps s THR 511 Ca 0.64 1.74 -0.02 0.00 0.31 0.00 0.00 61.69 64.36 3hps s THR 511 Cb -0.13 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.20 3hps s THR 511 CO 0.52 0.52 -0.03 -0.89 -0.69 0.00 0.00 174.62 174.05 3hps s THR 512 N -1.11 4.00 0.22 -0.82 2.01 0.04 -3.11 115.64 116.87 3hps s THR 512 Ca 0.36 -0.35 0.11 0.00 0.31 0.00 0.00 61.69 62.13 3hps s THR 512 Cb -0.23 -2.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.53 3hps s THR 512 CO 0.27 0.55 -0.21 -0.44 -0.69 0.00 0.00 174.62 174.10 3hps s SER 513 N -0.32 3.59 0.00 3.53 0.01 -0.43 -1.04 113.70 119.04 3hps s SER 513 Ca 0.06 -0.88 -0.01 0.00 1.31 0.00 0.00 55.95 56.43 3hps s SER 513 Cb -0.12 -0.33 -0.01 0.00 0.21 0.00 0.00 66.02 65.77 3hps s SER 513 CO 0.02 0.09 0.01 -0.51 0.41 0.00 0.00 173.24 173.26 3hps s ILE 514 N -1.95 0.04 -0.04 1.44 2.07 -0.30 0.09 121.20 122.55 3hps s ILE 514 Ca 0.24 -0.32 0.03 0.00 -1.41 0.00 0.00 60.65 59.19 3hps s ILE 514 Cb -0.07 -0.12 0.01 0.00 0.13 0.00 0.00 42.46 42.40 3hps s ILE 514 CO 0.12 -0.18 -0.11 0.28 -1.91 0.00 0.00 174.94 173.15 3hps s THR 515 N -0.52 0.94 0.08 4.00 -1.32 -0.80 -1.70 115.64 116.32 3hps s THR 515 Ca -0.06 -0.42 0.06 0.00 -1.21 0.00 0.00 61.69 60.06 3hps s THR 515 Cb -0.04 -0.84 -0.03 0.00 -1.51 0.00 0.00 72.50 70.08 3hps s THR 515 CO -0.00 0.29 -0.17 0.00 -2.21 0.00 0.00 174.62 172.53 3hps s ALA 516 N 0.32 1.44 -0.31 11.08 0.00 0.07 -0.33 121.76 134.03 3hps s ALA 516 Ca -0.06 -1.08 -0.12 0.00 0.00 0.00 0.00 51.96 50.70 3hps s ALA 516 Cb -0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 3hps s ALA 516 CO 0.01 0.26 0.23 0.99 0.00 0.00 0.00 175.76 177.25 3hps s THR 517 N -1.16 5.29 0.32 0.00 2.01 -0.47 -1.38 115.64 120.25 3hps s THR 517 Ca 0.02 0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.10 3hps s THR 517 Cb -0.10 -3.62 -0.06 0.00 0.01 0.00 0.00 72.50 68.72 3hps s THR 517 CO 0.03 0.13 0.01 0.68 -0.69 0.00 0.00 174.62 174.78 3hps s VAL 518 N 1.77 1.46 -0.12 3.82 -7.23 -0.09 -0.97 120.40 119.04 3hps s VAL 518 Ca 0.07 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.21 3hps s VAL 518 Cb -0.17 -2.72 -0.01 0.00 0.56 0.00 0.00 36.38 34.05 3hps s VAL 518 CO 0.11 -0.10 -0.15 -0.54 -0.31 0.00 0.00 175.10 174.11 3hps s LYS 519 N -3.81 3.28 -0.29 4.82 1.02 0.80 -0.16 119.74 125.41 3hps s LYS 519 Ca 0.34 -0.72 -0.04 0.00 0.02 0.00 0.00 55.97 55.57 3hps s LYS 519 Cb 0.07 -2.55 0.03 0.00 -0.52 0.00 0.00 37.83 34.86 3hps s LYS 519 CO 0.15 0.23 0.02 0.42 -0.92 0.00 0.00 175.35 175.25 3hps s ILE 520 N 0.29 3.40 -1.44 2.17 -1.09 -0.14 -1.13 121.20 123.25 3hps s ILE 520 Ca -0.11 -0.99 -0.03 0.00 -2.23 0.00 0.00 60.65 57.29 3hps s ILE 520 Cb -0.16 -2.80 0.00 0.00 -1.58 0.00 0.00 42.46 37.92 3hps s ILE 520 CO 0.06 0.05 0.06 0.59 -1.23 0.00 0.00 174.94 174.47 3hps n ASN 521 N 4.75 0.46 0.00 3.58 3.02 0.55 -1.32 115.26 126.31 3hps n ASN 521 Ca -0.15 -1.21 0.00 0.00 -0.03 0.00 0.00 54.58 53.19 3hps n ASN 521 Cb 0.46 -1.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.13 3hps n ASN 521 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hps n GLY 522 N -2.46 1.57 3.58 7.41 0.00 -1.26 -5.03 105.19 109.00 3hps n GLY 522 Ca -0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 3hps n GLY 522 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hps s VAL 523 N -2.45 5.14 0.12 1.61 1.01 -0.43 -4.98 120.40 120.43 3hps s VAL 523 Ca 0.00 0.38 -0.31 0.00 0.00 0.00 0.00 61.98 62.06 3hps s VAL 523 Cb 0.00 -3.78 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 3hps s VAL 523 CO 0.00 0.02 1.30 -0.70 0.00 0.00 0.00 175.10 175.72 3hps s GLU 524 N 2.12 4.38 0.01 2.72 2.12 -1.26 -0.97 118.70 127.82 3hps s GLU 524 Ca 0.15 1.96 -0.12 0.00 0.36 0.00 0.00 54.97 57.31 3hps s GLU 524 Cb -0.16 -3.27 0.02 0.00 0.26 0.00 0.00 34.13 30.98 3hps s GLU 524 CO 0.11 -0.31 0.26 -0.08 -0.54 0.00 0.00 175.26 174.70 3hps s THR 525 N 0.79 0.07 -0.13 -1.70 -1.32 0.78 -4.95 115.64 109.19 3hps s THR 525 Ca 0.60 -0.61 -0.12 0.00 -1.21 0.00 0.00 61.69 60.35 3hps s THR 525 Cb -0.34 -0.68 -0.05 0.00 -1.51 0.00 0.00 72.50 69.92 3hps s THR 525 CO 0.32 -0.34 0.25 -1.61 -2.21 0.00 0.00 174.62 171.03 3hps s GLU 526 N -1.73 4.01 0.11 7.08 0.41 -1.26 -0.92 118.70 126.40 3hps s GLU 526 Ca -0.11 0.04 0.09 0.00 -0.41 0.00 0.00 54.97 54.58 3hps s GLU 526 Cb -0.04 -3.34 -0.04 0.00 -1.78 0.00 0.00 34.13 28.93 3hps s GLU 526 CO 0.01 0.44 -0.21 0.96 -0.49 0.00 0.00 175.26 175.97 3hps s ILE 527 N -0.13 1.79 -0.07 -1.63 -4.36 -0.48 -4.99 121.20 111.34 3hps s ILE 527 Ca 0.16 -1.60 -0.18 0.00 -0.26 0.00 0.00 60.65 58.76 3hps s ILE 527 Cb -0.13 -1.64 0.04 0.00 1.25 0.00 0.00 42.46 41.98 3hps s ILE 527 CO 0.04 -0.06 0.43 -0.55 0.24 0.00 0.00 174.94 175.04 3hps s SER 528 N -1.99 -0.37 0.16 4.36 0.15 -1.26 -0.75 113.70 114.00 3hps s SER 528 Ca 0.08 0.46 -0.24 0.00 0.70 0.00 0.00 55.95 56.95 3hps s SER 528 Cb -0.10 0.54 0.06 0.00 -1.71 0.00 0.00 66.02 64.82 3hps s SER 528 CO 0.05 -0.39 0.84 -0.83 1.20 0.00 0.00 173.24 174.10 3hps s GLY 529 N -0.82 -0.29 0.10 9.45 0.00 -0.69 -4.15 107.32 110.92 3hps s GLY 529 Ca -0.09 0.24 0.04 0.00 0.00 0.00 0.00 44.72 44.91 3hps s GLY 529 CO 0.04 0.06 -0.12 -0.56 0.00 0.00 0.00 173.10 172.53 3hps s SER 530 N -2.82 1.61 0.00 1.64 0.01 -1.26 -1.15 113.70 111.73 3hps s SER 530 Ca 0.09 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.59 3hps s SER 530 Cb -0.02 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.18 3hps s SER 530 CO -0.01 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.06 3hps n GLY 531 N 0.73 1.41 0.24 3.44 0.00 -0.21 -4.33 105.19 106.48 3hps n GLY 531 Ca -0.17 -0.78 0.15 0.00 0.00 0.00 0.00 46.02 45.22 3hps n GLY 531 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hps n ASN 532 N -0.21 0.76 -3.28 1.61 6.94 -1.26 -0.78 115.26 119.03 3hps n ASN 532 Ca 0.00 -1.22 -0.04 0.00 -0.02 0.00 0.00 54.58 53.30 3hps n ASN 532 Cb 0.00 -0.00 0.02 0.00 -2.36 0.00 0.00 39.78 37.44 3hps n ASN 532 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3hps s GLY 533 N -2.03 0.16 0.32 4.83 0.00 -1.26 -4.71 107.32 104.63 3hps s GLY 533 Ca 0.42 -0.42 0.09 0.00 0.00 0.00 0.00 44.72 44.81 3hps s GLY 533 CO 0.36 1.78 1.73 -0.56 0.00 0.00 0.00 173.10 176.41 3hps h PRO 534 N 2.00 0.13 -0.12 2.90 0.13 -1.90 -0.20 132.00 134.95 3hps h PRO 534 Ca -0.28 -0.06 -0.11 0.00 -0.87 0.00 0.00 66.00 64.68 3hps h PRO 534 Cb 1.23 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3hps h PRO 534 CO 0.37 0.54 -0.34 1.25 -0.23 0.00 0.00 178.00 179.59 3hps h LEU 535 N 0.11 0.50 -0.42 1.56 6.46 -1.96 -1.81 115.31 119.75 3hps h LEU 535 Ca 0.01 -0.59 0.01 0.00 -0.12 0.00 0.00 57.88 57.19 3hps h LEU 535 Cb 0.80 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.56 3hps h LEU 535 CO 0.06 1.01 0.26 0.00 -0.62 0.00 0.00 178.44 179.15 3hps h ALA 536 N 0.51 0.54 -0.55 1.25 0.00 -1.91 -1.04 119.26 118.06 3hps h ALA 536 Ca -0.01 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3hps h ALA 536 Cb 0.95 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 3hps h ALA 536 CO 0.07 -0.05 0.27 0.00 0.00 0.00 0.00 179.25 179.54 3hps h ALA 537 N 1.17 0.71 -0.53 0.00 0.00 -0.97 -1.24 119.26 118.41 3hps h ALA 537 Ca 0.16 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3hps h ALA 537 Cb -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3hps h ALA 537 CO -0.06 -0.09 -0.06 0.35 0.00 0.00 0.00 179.25 179.39 3hps h PHE 538 N 0.51 1.04 -0.10 0.00 3.57 -0.98 -1.19 116.94 119.79 3hps h PHE 538 Ca 0.25 -0.19 -0.16 0.00 3.53 0.00 0.00 57.97 61.41 3hps h PHE 538 Cb 0.19 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 3hps h PHE 538 CO -0.11 0.96 -0.62 -0.39 -2.23 0.00 0.00 178.31 175.91 3hps h VAL 539 N 0.86 1.37 -0.90 1.41 -1.51 -0.91 -1.94 116.25 114.63 3hps h VAL 539 Ca 0.15 -1.98 -0.02 0.00 -1.23 0.00 0.00 66.70 63.62 3hps h VAL 539 Cb 0.59 1.98 -0.04 0.00 -2.13 0.00 0.00 31.29 31.69 3hps h VAL 539 CO 0.04 0.59 0.50 0.45 -1.23 0.00 0.00 177.57 177.93 3hps h HIS 540 N 0.25 1.23 -0.91 5.19 3.86 -1.02 -2.20 115.15 121.56 3hps h HIS 540 Ca -0.01 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3hps h HIS 540 Cb 1.15 -0.40 -0.04 0.00 1.06 0.00 0.00 27.41 29.18 3hps h HIS 540 CO 0.03 0.84 0.58 0.00 0.86 0.00 0.00 177.93 180.25 3hps h ALA 541 N 1.28 1.15 -0.14 2.45 0.00 -0.87 -2.91 119.26 120.22 3hps h ALA 541 Ca 0.32 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 3hps h ALA 541 Cb 0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3hps h ALA 541 CO -0.05 0.57 -0.40 -0.07 0.00 0.00 0.00 179.25 179.30 3hps h LEU 542 N 1.24 0.33 -1.79 0.00 3.38 -0.95 -3.14 115.31 114.37 3hps h LEU 542 Ca 0.33 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3hps h LEU 542 Cb -0.11 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3hps h LEU 542 CO -0.07 0.70 0.10 0.00 0.09 0.00 0.00 178.44 179.26 3hps h ALA 543 N 1.32 1.84 0.00 1.53 0.00 -1.17 -0.85 119.26 121.94 3hps h ALA 543 Ca 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3hps h ALA 543 Cb 0.82 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3hps h ALA 543 CO 0.07 0.14 -0.08 -0.44 0.00 0.00 0.00 179.25 178.93 3hps h ASP 544 N 0.24 0.00 -0.25 0.00 3.32 -1.60 -2.88 116.42 115.25 3hps h ASP 544 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3hps h ASP 544 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3hps h ASP 544 CO -0.01 0.08 0.00 1.33 -1.72 0.00 0.00 179.24 178.92 3hps n VAL 545 N -3.66 2.22 -0.30 -1.35 0.24 -0.36 -4.95 118.33 110.17 3hps n VAL 545 Ca -0.02 -1.86 0.00 0.00 -2.04 0.00 0.00 64.34 60.42 3hps n VAL 545 Cb 0.20 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.34 3hps n VAL 545 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hps n GLY 546 N -0.50 0.85 3.16 7.63 0.00 -1.09 -4.93 105.19 110.31 3hps n GLY 546 Ca 0.21 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3hps n GLY 546 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hps s PHE 547 N -2.00 3.51 -0.42 1.61 0.40 -0.97 -0.39 117.98 119.72 3hps s PHE 547 Ca 0.00 -2.18 -0.16 0.00 -0.60 0.00 0.00 56.93 53.99 3hps s PHE 547 Cb 0.00 -3.19 0.02 0.00 0.51 0.00 0.00 43.02 40.36 3hps s PHE 547 CO 0.00 -0.96 0.38 0.34 0.70 0.00 0.00 175.22 175.68 3hps s ASP 548 N 2.01 6.16 -0.39 1.36 2.15 -0.12 -2.64 116.67 125.20 3hps s ASP 548 Ca 0.06 -0.80 -0.05 0.00 0.43 0.00 0.00 52.55 52.20 3hps s ASP 548 Cb -0.23 -2.20 0.09 0.00 -0.30 0.00 0.00 42.92 40.28 3hps s ASP 548 CO -0.03 -0.53 0.18 -0.69 -0.17 0.00 0.00 175.17 173.93 3hps s VAL 549 N 1.93 3.53 -0.46 1.11 1.01 -1.26 -1.04 120.40 125.22 3hps s VAL 549 Ca 0.09 -1.69 -0.19 0.00 0.00 0.00 0.00 61.98 60.19 3hps s VAL 549 Cb -0.18 -3.25 0.04 0.00 0.00 0.00 0.00 36.38 32.99 3hps s VAL 549 CO 0.12 -0.50 0.58 0.00 0.00 0.00 0.00 175.10 175.30 3hps s ALA 550 N 1.26 3.38 0.11 5.51 0.00 -0.58 -4.95 121.76 126.48 3hps s ALA 550 Ca 0.04 -1.49 -0.30 0.00 0.00 0.00 0.00 51.96 50.20 3hps s ALA 550 Cb -0.22 -3.26 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 3hps s ALA 550 CO -0.01 -1.82 1.12 0.08 0.00 0.00 0.00 175.76 175.12 3hps s VAL 551 N 2.58 4.07 -0.14 0.00 1.01 -1.26 -0.60 120.40 126.06 3hps s VAL 551 Ca 0.17 1.61 0.14 0.00 0.00 0.00 0.00 61.98 63.90 3hps s VAL 551 Cb -0.17 -4.03 -0.19 0.00 0.00 0.00 0.00 36.38 31.99 3hps s VAL 551 CO 0.15 0.20 0.07 0.18 0.00 0.00 0.00 175.10 175.69 3hps n LEU 552 N 3.19 0.00 -3.60 3.92 4.32 0.12 -4.92 117.00 120.03 3hps n LEU 552 Ca 0.06 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.99 3hps n LEU 552 Cb 0.47 0.36 -0.02 0.00 -1.62 0.00 0.00 43.42 42.61 3hps n LEU 552 CO 0.54 0.36 0.76 -0.62 -1.22 0.00 0.00 177.39 177.21 3hps s ASP 553 N -4.83 -0.26 -0.25 -1.43 -1.08 -1.11 -4.98 116.67 102.74 3hps s ASP 553 Ca -0.07 -0.14 -0.19 0.00 -0.52 0.00 0.00 52.55 51.62 3hps s ASP 553 Cb 0.05 0.38 0.07 0.00 -1.46 0.00 0.00 42.92 41.96 3hps s ASP 553 CO 0.63 -0.65 0.65 -0.47 0.52 0.00 0.00 175.17 175.84 3hps s TYR 554 N -3.06 -0.84 0.02 -5.34 5.04 -1.26 -1.17 117.35 110.74 3hps s TYR 554 Ca 0.08 1.86 0.00 0.00 -2.44 0.00 0.00 57.07 56.58 3hps s TYR 554 Cb -0.01 0.40 -0.02 0.00 0.35 0.00 0.00 41.96 42.68 3hps s TYR 554 CO -0.05 -0.42 -0.03 0.71 -1.34 0.00 0.00 175.55 174.43 3hps s TYR 555 N 0.94 0.26 -0.03 4.97 1.51 -0.40 -5.00 117.35 119.60 3hps s TYR 555 Ca -0.05 -0.49 -0.10 0.00 -1.01 0.00 0.00 57.07 55.42 3hps s TYR 555 Cb -0.05 -0.18 0.01 0.00 -0.11 0.00 0.00 41.96 41.63 3hps s TYR 555 CO -0.08 -0.17 0.22 -2.00 -1.11 0.00 0.00 175.55 172.40 3hps s GLU 556 N -1.37 0.48 0.09 -0.62 2.12 -1.26 -0.56 118.70 117.57 3hps s GLU 556 Ca -0.15 -0.11 -0.15 0.00 0.36 0.00 0.00 54.97 54.92 3hps s GLU 556 Cb -0.09 0.21 0.03 0.00 0.26 0.00 0.00 34.13 34.53 3hps s GLU 556 CO -0.01 -0.11 0.35 -3.38 -0.54 0.00 0.00 175.26 171.57 3hps s HIS 557 N -0.90 -0.13 0.42 5.30 -3.43 -0.35 -4.99 115.29 111.20 3hps s HIS 557 Ca -0.10 -0.12 -0.24 0.00 -0.80 0.00 0.00 55.06 53.80 3hps s HIS 557 Cb -0.05 0.17 -0.08 0.00 -1.43 0.00 0.00 32.58 31.18 3hps s HIS 557 CO 0.02 -0.62 1.13 0.00 -2.00 0.00 0.00 174.74 173.27 3hps s ALA 558 N -3.37 3.07 -1.60 -1.38 0.00 -1.26 -0.94 121.76 116.28 3hps s ALA 558 Ca 0.00 0.86 0.25 0.00 0.00 0.00 0.00 51.96 53.08 3hps s ALA 558 Cb 0.01 -3.34 0.49 0.00 0.00 0.00 0.00 23.12 20.28 3hps s ALA 558 CO -0.09 -0.46 1.40 -1.33 0.00 0.00 0.00 175.76 175.28 3hps n MET 559 N -0.17 0.68 -3.82 0.00 2.81 0.32 -4.85 117.12 112.09 3hps n MET 559 Ca 0.06 -0.45 -0.07 0.00 -1.81 0.00 0.00 57.70 55.43 3hps n MET 559 Cb 0.48 -1.49 0.03 0.00 -0.71 0.00 0.00 33.22 31.53 3hps n MET 559 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3hps n SER 560 N -0.77 -2.10 -4.70 7.83 3.41 -1.26 -4.87 113.62 111.15 3hps n SER 560 Ca 0.10 -2.34 -0.30 0.00 -0.26 0.00 0.00 58.87 56.07 3hps n SER 560 Cb 0.37 3.47 0.14 0.00 -0.26 0.00 0.00 64.21 67.93 3hps n SER 560 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hps s ALA 561 N -2.07 1.48 0.00 7.33 0.00 -1.26 -4.78 121.76 122.47 3hps s ALA 561 Ca 0.19 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.17 3hps s ALA 561 Cb -0.04 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.85 3hps s ALA 561 CO 0.10 -2.42 0.00 0.41 0.00 0.00 0.00 175.76 173.85 3hps n GLY 562 N -0.90 2.26 0.25 0.00 0.00 -1.26 -4.43 105.19 101.11 3hps n GLY 562 Ca 0.07 -1.67 0.16 0.00 0.00 0.00 0.00 46.02 44.59 3hps n GLY 562 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3hps h ASP 563 N 0.00 0.00 -0.52 1.61 3.04 -2.03 -2.67 116.42 115.84 3hps h ASP 563 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3hps h ASP 563 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3hps h ASP 563 CO 0.00 0.00 0.00 -0.90 -2.04 0.00 0.00 179.24 176.30 3hps n ASP 564 N -2.96 2.85 -4.69 4.15 5.75 -1.26 -4.98 116.55 115.41 3hps n ASP 564 Ca 0.01 -1.99 -0.33 0.00 -0.01 0.00 0.00 54.79 52.47 3hps n ASP 564 Cb 0.30 -0.34 0.14 0.00 -1.03 0.00 0.00 41.12 40.18 3hps n ASP 564 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hps s ALA 565 N -1.31 1.75 0.44 2.12 0.00 -1.01 -4.97 121.76 118.79 3hps s ALA 565 Ca 0.36 0.81 -0.21 0.00 0.00 0.00 0.00 51.96 52.91 3hps s ALA 565 Cb 0.19 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.73 3hps s ALA 565 CO 0.25 -2.41 1.01 -0.65 0.00 0.00 0.00 175.76 173.96 3hps s GLN 566 N -4.23 4.04 -0.11 0.00 -1.52 -1.26 -4.74 119.66 111.83 3hps s GLN 566 Ca 0.72 1.32 -0.05 0.00 -1.95 0.00 0.00 55.36 55.40 3hps s GLN 566 Cb -0.28 -2.24 -0.04 0.00 -0.22 0.00 0.00 33.01 30.23 3hps s GLN 566 CO 0.52 -0.22 0.08 0.00 -0.25 0.00 0.00 175.29 175.41 3hps s ALA 567 N -1.95 3.59 -0.20 6.09 0.00 0.37 -0.52 121.76 129.14 3hps s ALA 567 Ca 0.63 -0.72 -0.07 0.00 0.00 0.00 0.00 51.96 51.80 3hps s ALA 567 Cb -0.15 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 3hps s ALA 567 CO 0.20 0.57 0.06 0.00 0.00 0.00 0.00 175.76 176.58 3hps s ALA 568 N -0.84 3.28 0.10 0.00 0.00 -0.12 -1.94 121.76 122.23 3hps s ALA 568 Ca 0.13 -0.89 0.09 0.00 0.00 0.00 0.00 51.96 51.29 3hps s ALA 568 Cb -0.12 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 3hps s ALA 568 CO 0.03 -0.05 -0.20 0.00 0.00 0.00 0.00 175.76 175.54 3hps s ALA 569 N 0.81 2.58 -0.04 0.00 0.00 0.15 -1.21 121.76 124.05 3hps s ALA 569 Ca 0.03 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 50.67 3hps s ALA 569 Cb -0.14 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.39 3hps s ALA 569 CO 0.02 0.58 -0.03 0.71 0.00 0.00 0.00 175.76 177.04 3hps s TYR 570 N -1.05 0.63 -0.10 0.00 1.51 0.27 -0.73 117.35 117.88 3hps s TYR 570 Ca 0.16 -0.15 0.01 0.00 -1.01 0.00 0.00 57.07 56.08 3hps s TYR 570 Cb -0.10 -0.62 0.02 0.00 -0.11 0.00 0.00 41.96 41.14 3hps s TYR 570 CO 0.08 -0.19 -0.13 0.08 -1.11 0.00 0.00 175.55 174.27 3hps s VAL 571 N 1.07 1.34 -0.13 0.71 1.01 -0.03 -1.28 120.40 123.10 3hps s VAL 571 Ca -0.09 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.23 3hps s VAL 571 Cb -0.14 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 3hps s VAL 571 CO -0.01 0.41 0.24 -0.70 0.00 0.00 0.00 175.10 175.04 3hps s GLU 572 N 1.02 3.98 0.06 2.72 2.12 -0.32 0.14 118.70 128.42 3hps s GLU 572 Ca -0.07 0.03 -0.12 0.00 0.36 0.00 0.00 54.97 55.17 3hps s GLU 572 Cb -0.15 -3.33 0.01 0.00 0.26 0.00 0.00 34.13 30.92 3hps s GLU 572 CO -0.01 0.46 0.25 0.00 -0.54 0.00 0.00 175.26 175.42 3hps s ALA 573 N -0.18 -0.51 -0.42 6.30 0.00 -0.12 0.10 121.76 126.94 3hps s ALA 573 Ca 0.16 -0.21 -0.17 0.00 0.00 0.00 0.00 51.96 51.73 3hps s ALA 573 Cb -0.13 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.38 3hps s ALA 573 CO 0.04 -0.43 0.43 0.45 0.00 0.00 0.00 175.76 176.25 3hps s SER 574 N -2.28 6.19 -0.16 0.00 0.15 0.24 -0.92 113.70 116.92 3hps s SER 574 Ca -0.02 -0.65 -0.06 0.00 0.70 0.00 0.00 55.95 55.92 3hps s SER 574 Cb 0.00 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 3hps s SER 574 CO -0.06 -0.57 0.03 -0.69 1.20 0.00 0.00 173.24 173.15 3hps s VAL 575 N 2.13 4.48 -0.18 4.45 1.01 0.75 -1.53 120.40 131.51 3hps s VAL 575 Ca 0.12 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.96 3hps s VAL 575 Cb -0.17 -2.99 0.03 0.00 0.00 0.00 0.00 36.38 33.25 3hps s VAL 575 CO 0.13 0.49 -0.17 -0.89 0.00 0.00 0.00 175.10 174.67 3hps s THR 576 N 0.22 1.90 -0.28 3.92 2.01 -0.21 -0.94 115.64 122.26 3hps s THR 576 Ca 0.02 -0.93 -0.09 0.00 0.31 0.00 0.00 61.69 61.00 3hps s THR 576 Cb -0.13 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 3hps s THR 576 CO 0.01 0.43 0.13 -0.63 -0.69 0.00 0.00 174.62 173.88 3hps s ILE 577 N 1.34 4.72 -0.48 1.82 1.01 -1.26 -0.94 121.20 127.41 3hps s ILE 577 Ca 0.03 -0.13 -0.07 0.00 0.00 0.00 0.00 60.65 60.48 3hps s ILE 577 Cb -0.14 -3.28 -0.07 0.00 0.01 0.00 0.00 42.46 38.99 3hps s ILE 577 CO -0.11 0.23 1.62 0.00 0.00 0.00 0.00 174.94 176.69 3hps n ALA 578 N 4.99 2.85 -3.59 9.38 0.00 0.48 -5.04 120.51 129.58 3hps n ALA 578 Ca -0.15 -1.41 -0.11 0.00 0.00 0.00 0.00 53.44 51.78 3hps n ALA 578 Cb 0.51 -2.93 -0.11 0.00 0.00 0.00 0.00 19.45 16.93 3hps n ALA 578 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hps s THR 614 N 4.45 -0.55 -1.47 0.00 -4.23 -1.26 -5.02 115.64 107.57 3hps s THR 614 Ca 0.28 0.14 -0.15 0.00 -1.18 0.00 0.00 61.69 60.78 3hps s THR 614 Cb 0.07 -0.63 0.15 0.00 1.34 0.00 0.00 72.50 73.43 3hps s THR 614 CO 0.02 0.03 0.36 -1.20 -0.54 0.00 0.00 174.62 173.29 3hps n SER 615 N 5.37 -0.90 -4.70 3.99 7.64 -1.10 -4.91 113.62 119.01 3hps n SER 615 Ca -0.07 -1.03 -0.42 0.00 1.01 0.00 0.00 58.87 58.36 3hps n SER 615 Cb 0.50 -1.31 -0.03 0.00 -1.01 0.00 0.00 64.21 62.36 3hps n SER 615 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3hps s LYS 616 N -6.23 4.35 -0.25 1.43 1.02 -0.12 -4.59 119.74 115.35 3hps s LYS 616 Ca 0.51 1.86 -0.22 0.00 0.02 0.00 0.00 55.97 58.14 3hps s LYS 616 Cb -0.30 -3.45 -0.01 0.00 -0.52 0.00 0.00 37.83 33.55 3hps s LYS 616 CO 0.84 -0.43 0.71 0.99 -0.92 0.00 0.00 175.35 176.53 3hps s THR 617 N 1.75 4.92 0.04 2.17 2.01 -1.26 -0.18 115.64 125.09 3hps s THR 617 Ca 0.61 1.29 -0.03 0.00 0.31 0.00 0.00 61.69 63.87 3hps s THR 617 Cb -0.30 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.17 3hps s THR 617 CO 0.27 -0.02 0.03 0.68 -0.69 0.00 0.00 174.62 174.88 3hps s VAL 618 N 2.65 0.16 0.02 3.82 -7.23 -0.10 -4.99 120.40 114.73 3hps s VAL 618 Ca 0.30 -1.32 -0.00 0.00 -1.81 0.00 0.00 61.98 59.14 3hps s VAL 618 Cb -0.15 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 3hps s VAL 618 CO 0.08 -0.73 0.12 0.26 -0.31 0.00 0.00 175.10 174.52 3hps s TRP 619 N -2.92 3.35 0.16 2.82 0.52 -1.26 -0.95 118.94 120.67 3hps s TRP 619 Ca -0.02 0.22 0.10 0.00 0.02 0.00 0.00 56.10 56.41 3hps s TRP 619 Cb 0.01 -1.74 -0.04 0.00 -1.15 0.00 0.00 33.47 30.55 3hps s TRP 619 CO -0.06 0.57 -0.22 0.20 0.02 0.00 0.00 176.95 177.46 3hps s GLY 620 N -2.00 1.51 -0.04 0.98 0.00 0.12 -4.23 107.32 103.65 3hps s GLY 620 Ca 0.27 -1.51 0.03 0.00 0.00 0.00 0.00 44.72 43.51 3hps s GLY 620 CO 0.18 -1.54 -0.12 0.14 0.00 0.00 0.00 173.10 171.76 3hps s VAL 621 N -1.67 1.08 -0.01 1.40 1.01 -1.26 -0.85 120.40 120.10 3hps s VAL 621 Ca 0.16 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.67 3hps s VAL 621 Cb -0.08 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 3hps s VAL 621 CO 0.07 0.33 -0.11 -0.83 0.00 0.00 0.00 175.10 174.56 3hps s GLY 622 N 0.27 0.54 -0.07 4.51 0.00 0.09 -4.27 107.32 108.39 3hps s GLY 622 Ca -0.06 -0.45 0.02 0.00 0.00 0.00 0.00 44.72 44.22 3hps s GLY 622 CO 0.02 -0.34 -0.12 -0.42 0.00 0.00 0.00 173.10 172.23 3hps s ILE 623 N -0.18 1.17 0.15 0.90 1.01 -1.26 0.32 121.20 123.30 3hps s ILE 623 Ca 0.03 -0.48 -0.22 0.00 0.00 0.00 0.00 60.65 59.98 3hps s ILE 623 Cb -0.05 -1.08 0.06 0.00 0.01 0.00 0.00 42.46 41.41 3hps s ILE 623 CO -0.00 0.37 0.57 0.00 0.00 0.00 0.00 174.94 175.88 3hps s ALA 624 N 0.79 -1.50 -0.78 9.38 0.00 -0.82 -4.84 121.76 123.99 3hps s ALA 624 Ca -0.12 0.43 0.24 0.00 0.00 0.00 0.00 51.96 52.51 3hps s ALA 624 Cb -0.15 0.83 0.93 0.00 0.00 0.00 0.00 23.12 24.73 3hps s ALA 624 CO 0.02 -0.74 1.75 -0.35 0.00 0.00 0.00 175.76 176.44 3hps n PRO 625 N -0.32 0.14 -3.78 0.00 -0.04 -1.26 -0.48 135.00 129.27 3hps n PRO 625 Ca -0.17 0.22 -0.36 0.00 -0.04 0.00 0.00 63.50 63.16 3hps n PRO 625 Cb 0.65 -1.70 -0.09 0.00 -0.04 0.00 0.00 33.50 32.31 3hps n PRO 625 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3hps s SER 626 N -3.85 5.95 0.30 3.54 0.15 -1.26 -4.65 113.70 113.89 3hps s SER 626 Ca 0.09 0.12 0.05 0.00 0.70 0.00 0.00 55.95 56.91 3hps s SER 626 Cb 0.13 -2.05 0.71 0.00 -1.71 0.00 0.00 66.02 63.09 3hps s SER 626 CO 0.48 0.12 1.80 0.40 1.20 0.00 0.00 173.24 177.23 3hps h ILE 627 N 4.92 0.76 0.18 6.45 2.04 -1.93 -0.40 117.51 129.53 3hps h ILE 627 Ca -0.39 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 3hps h ILE 627 Cb 1.16 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3hps h ILE 627 CO 0.69 0.15 -0.09 0.74 0.00 0.00 0.00 178.15 179.64 3hps h THR 628 N 0.81 0.93 -0.14 -0.27 2.02 -1.96 -3.09 112.91 111.21 3hps h THR 628 Ca 0.55 -0.58 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 3hps h THR 628 Cb 0.80 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 3hps h THR 628 CO -0.34 0.13 -0.30 0.74 0.37 0.00 0.00 175.52 176.12 3hps h THR 629 N -0.53 1.26 -0.87 3.16 2.02 -1.88 -2.29 112.91 113.79 3hps h THR 629 Ca -0.02 -1.25 -0.00 0.00 0.77 0.00 0.00 66.41 65.90 3hps h THR 629 Cb 0.40 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 3hps h THR 629 CO 0.04 0.38 0.53 0.00 0.37 0.00 0.00 175.52 176.84 3hps h ALA 630 N 1.45 1.29 -0.42 6.16 0.00 -1.10 -0.98 119.26 125.66 3hps h ALA 630 Ca 0.03 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3hps h ALA 630 Cb 0.66 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3hps h ALA 630 CO 0.05 0.61 -0.07 0.66 0.00 0.00 0.00 179.25 180.50 3hps h SER 631 N 1.20 0.69 -0.50 0.00 4.64 -1.33 -1.67 113.55 116.59 3hps h SER 631 Ca 0.31 -0.18 -0.08 0.00 -0.47 0.00 0.00 61.79 61.36 3hps h SER 631 Cb -0.06 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.83 3hps h SER 631 CO -0.06 0.81 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.62 3hps h LEU 632 N 0.66 0.88 -1.16 5.97 3.38 -1.21 -2.08 115.31 121.74 3hps h LEU 632 Ca 0.12 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3hps h LEU 632 Cb 0.51 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3hps h LEU 632 CO 0.03 0.98 0.49 0.03 0.09 0.00 0.00 178.44 180.07 3hps h ARG 633 N 0.75 1.06 -0.61 1.13 3.08 -0.90 -2.19 114.38 116.69 3hps h ARG 633 Ca 0.14 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 3hps h ARG 633 Cb 0.55 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3hps h ARG 633 CO 0.03 0.73 0.18 0.00 -1.07 0.00 0.00 179.97 179.84 3hps h ALA 634 N 1.46 0.81 -0.27 0.04 0.00 -0.92 -0.26 119.26 120.11 3hps h ALA 634 Ca 0.29 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3hps h ALA 634 Cb -0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3hps h ALA 634 CO -0.06 0.49 0.11 0.28 0.00 0.00 0.00 179.25 180.07 3hps h VAL 635 N 0.88 0.95 -0.76 0.00 2.07 -0.98 -1.44 116.25 116.97 3hps h VAL 635 Ca 0.20 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.68 3hps h VAL 635 Cb 0.31 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 3hps h VAL 635 CO -0.00 0.04 0.46 0.58 0.02 0.00 0.00 177.57 178.67 3hps h VAL 636 N 0.24 1.05 -0.74 2.57 2.07 -1.15 -1.65 116.25 118.64 3hps h VAL 636 Ca 0.12 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 3hps h VAL 636 Cb 0.07 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.90 3hps h VAL 636 CO -0.11 0.16 0.39 -1.28 0.02 0.00 0.00 177.57 176.75 3hps h SER 637 N 0.87 0.93 -0.06 0.57 0.87 -0.78 -1.40 113.55 114.56 3hps h SER 637 Ca 0.32 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 3hps h SER 637 Cb 0.12 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.83 3hps h SER 637 CO -0.15 0.78 0.04 0.00 -0.53 0.00 0.00 176.83 176.96 3hps h ALA 638 N 1.20 0.07 -0.48 6.23 0.00 -0.93 0.13 119.26 125.47 3hps h ALA 638 Ca 0.26 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.20 3hps h ALA 638 Cb 0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3hps h ALA 638 CO -0.04 -0.41 0.19 0.28 0.00 0.00 0.00 179.25 179.27 3hps h VAL 639 N 0.05 0.86 -0.31 0.00 2.07 -1.06 0.45 116.25 118.30 3hps h VAL 639 Ca 0.02 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.33 3hps h VAL 639 Cb 0.03 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3hps h VAL 639 CO -0.00 0.07 -0.15 0.78 0.02 0.00 0.00 177.57 178.28 3hps h ASN 640 N 0.37 0.54 -0.43 0.57 2.35 -0.95 -1.94 115.58 116.09 3hps h ASN 640 Ca 0.23 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 3hps h ASN 640 Cb 0.22 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 3hps h ASN 640 CO -0.22 0.72 0.18 0.03 -1.65 0.00 0.00 177.43 176.49 3hps h ARG 641 N 0.51 0.70 0.00 0.81 3.08 -0.14 -2.38 114.38 116.96 3hps h ARG 641 Ca 0.09 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3hps h ARG 641 Cb 0.56 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3hps h ARG 641 CO 0.04 0.59 0.00 0.00 -1.07 0.00 0.00 179.97 179.53 3hps h ALA 642 N 1.50 1.00 -0.02 0.04 0.00 -0.11 -3.51 119.26 118.16 3hps h ALA 642 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hps h ALA 642 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hps h ALA 642 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.24