#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hpx s VAL 20 N 0.00 4.15 0.11 1.39 0.11 -1.26 -5.05 120.40 119.86 3hpx s VAL 20 Ca 0.00 -0.25 -0.32 0.00 -2.93 0.00 0.00 61.98 58.48 3hpx s VAL 20 Cb 0.00 -2.88 -0.11 0.00 -1.53 0.00 0.00 36.38 31.86 3hpx s VAL 20 CO 0.00 0.43 1.80 1.17 -3.33 0.00 0.00 175.10 175.18 3hpx n LYS 21 N 4.07 2.66 -1.58 1.54 4.81 -1.26 -4.88 118.16 123.52 3hpx n LYS 21 Ca -0.17 0.97 -0.51 0.00 -0.87 0.00 0.00 58.31 57.72 3hpx n LYS 21 Cb 0.52 -2.84 -0.05 0.00 0.02 0.00 0.00 35.03 32.68 3hpx n LYS 21 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3hpx n PRO 22 N 5.35 1.10 0.00 1.64 -0.02 -1.26 -4.87 135.00 136.94 3hpx n PRO 22 Ca 0.18 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3hpx n PRO 22 Cb 0.35 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3hpx n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hpx n ALA 23 N 2.17 1.46 -0.95 3.55 0.00 -1.16 -4.64 120.51 120.93 3hpx n ALA 23 Ca 0.17 -0.43 -0.29 0.00 0.00 0.00 0.00 53.44 52.90 3hpx n ALA 23 Cb 0.20 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.87 3hpx n ALA 23 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hpx s GLY 24 N -0.16 1.55 0.80 0.00 0.00 -0.39 -4.87 107.32 104.25 3hpx s GLY 24 Ca 0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 44.72 44.17 3hpx s GLY 24 CO 0.00 0.28 1.09 2.56 0.00 0.00 0.00 173.10 177.03 3hpx s PRO 25 N -4.90 2.08 1.10 2.90 0.04 -1.26 -3.09 135.00 131.88 3hpx s PRO 25 Ca 0.67 0.72 -0.15 0.00 0.04 0.00 0.00 61.00 62.28 3hpx s PRO 25 Cb -0.19 -1.91 0.24 0.00 0.04 0.00 0.00 34.50 32.68 3hpx s PRO 25 CO 0.59 -1.64 1.08 -2.14 0.04 0.00 0.00 177.00 174.93 3hpx s PRO 26 N -5.11 -0.39 0.56 0.56 0.02 -1.26 -2.71 135.00 126.67 3hpx s PRO 26 Ca 0.61 0.37 -0.16 0.00 0.02 0.00 0.00 61.00 61.84 3hpx s PRO 26 Cb -0.15 -1.65 -0.05 0.00 0.02 0.00 0.00 34.50 32.66 3hpx s PRO 26 CO 0.55 -3.25 1.03 1.03 -0.33 0.00 0.00 177.00 176.03 3hpx s ARG 27 N -5.01 3.58 0.06 5.54 0.52 -1.26 -4.93 118.95 117.45 3hpx s ARG 27 Ca 0.67 1.12 -0.30 0.00 -0.52 0.00 0.00 55.73 56.70 3hpx s ARG 27 Cb -0.17 -2.07 -0.09 0.00 0.52 0.00 0.00 34.95 33.14 3hpx s ARG 27 CO 0.58 -0.59 1.78 0.54 0.02 0.00 0.00 175.30 177.64 3hpx s VAL 28 N -2.50 2.94 0.00 3.52 0.11 -1.26 -1.96 120.40 121.25 3hpx s VAL 28 Ca 0.62 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.93 3hpx s VAL 28 Cb -0.14 -3.17 0.00 0.00 -1.53 0.00 0.00 36.38 31.54 3hpx s VAL 28 CO 0.34 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.71 3hpx n GLY 29 N 4.22 0.62 3.71 6.54 0.00 -1.26 -5.04 105.19 113.98 3hpx n GLY 29 Ca 0.18 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3hpx n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hpx s GLN 30 N -0.37 4.29 0.61 1.61 0.74 -0.83 -4.97 119.66 120.75 3hpx s GLN 30 Ca 0.00 2.09 -0.19 0.00 0.05 0.00 0.00 55.36 57.32 3hpx s GLN 30 Cb 0.00 -3.34 -0.03 0.00 1.10 0.00 0.00 33.01 30.74 3hpx s GLN 30 CO 0.00 -0.50 1.17 -2.30 -0.55 0.00 0.00 175.29 173.11 3hpx n PRO 31 N 4.39 1.11 0.29 1.67 -0.02 -1.26 -4.90 135.00 136.28 3hpx n PRO 31 Ca 0.12 0.43 0.19 0.00 -2.02 0.00 0.00 63.50 62.22 3hpx n PRO 31 Cb 0.42 -2.39 0.83 0.00 -0.02 0.00 0.00 33.50 32.34 3hpx n PRO 31 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3hpx h SER 32 N 0.64 0.00 0.47 2.55 0.02 -2.02 -2.21 113.55 113.00 3hpx h SER 32 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 3hpx h SER 32 Cb 1.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.88 3hpx h SER 32 CO 0.53 0.00 -0.09 -2.67 -1.14 0.00 0.00 176.83 173.46 3hpx n TRP 33 N -3.04 0.00 -3.54 3.45 4.27 -1.26 -4.50 117.44 112.82 3hpx n TRP 33 Ca -0.00 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.19 3hpx n TRP 33 Cb 0.23 -0.23 -0.08 0.00 -1.36 0.00 0.00 31.31 29.87 3hpx n TRP 33 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 3hpx s ASN 34 N -2.56 5.77 -0.00 -0.67 3.84 -0.83 -4.96 114.94 115.53 3hpx s ASN 34 Ca 0.27 -2.08 0.03 0.00 0.21 0.00 0.00 52.86 51.29 3hpx s ASN 34 Cb 0.20 -2.02 0.08 0.00 -0.55 0.00 0.00 41.25 38.95 3hpx s ASN 34 CO 0.49 -0.66 1.06 -0.81 -2.79 0.00 0.00 177.10 174.39 3hpx n PRO 35 N 4.69 1.20 -1.73 0.43 -0.04 -1.26 -4.78 135.00 133.50 3hpx n PRO 35 Ca -0.04 -0.31 -0.39 0.00 -0.04 0.00 0.00 63.50 62.72 3hpx n PRO 35 Cb 0.41 -1.07 0.04 0.00 -0.04 0.00 0.00 33.50 32.84 3hpx n PRO 35 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3hpx n GLN 36 N -0.25 1.68 -4.42 0.54 6.02 -1.26 -5.03 117.38 114.66 3hpx n GLN 36 Ca 0.03 0.62 -0.24 0.00 -0.01 0.00 0.00 57.00 57.39 3hpx n GLN 36 Cb 0.07 -2.54 -0.11 0.00 1.02 0.00 0.00 30.24 28.68 3hpx n GLN 36 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3hpx s ARG 37 N -2.83 1.52 0.21 -1.09 1.81 -1.26 -4.44 118.95 112.87 3hpx s ARG 37 Ca 0.71 -1.61 -0.31 0.00 -1.72 0.00 0.00 55.73 52.81 3hpx s ARG 37 Cb -0.42 -1.67 -0.10 0.00 -0.45 0.00 0.00 34.95 32.31 3hpx s ARG 37 CO 0.50 0.33 1.48 0.00 -0.68 0.00 0.00 175.30 176.92 3hpx s ALA 38 N -2.18 3.67 0.83 2.13 0.00 -1.10 -4.75 121.76 120.37 3hpx s ALA 38 Ca 0.24 1.32 -0.12 0.00 0.00 0.00 0.00 51.96 53.40 3hpx s ALA 38 Cb -0.06 -3.58 0.11 0.00 0.00 0.00 0.00 23.12 19.60 3hpx s ALA 38 CO 0.11 -0.74 1.19 -1.54 0.00 0.00 0.00 175.76 174.78 3hpx s SER 39 N 0.69 4.19 -0.18 0.00 1.04 -1.26 -1.26 113.70 116.93 3hpx s SER 39 Ca 0.63 0.57 0.16 0.00 0.48 0.00 0.00 55.95 57.79 3hpx s SER 39 Cb -0.42 -0.97 0.75 0.00 0.10 0.00 0.00 66.02 65.48 3hpx s SER 39 CO 0.38 -2.07 1.66 -1.54 0.98 0.00 0.00 173.24 172.65 3hpx n SER 40 N -3.36 5.13 -4.77 7.02 3.41 -1.26 -4.84 113.62 114.95 3hpx n SER 40 Ca 0.10 -2.73 -0.41 0.00 -0.26 0.00 0.00 58.87 55.57 3hpx n SER 40 Cb 0.61 -0.62 -0.01 0.00 -0.26 0.00 0.00 64.21 63.92 3hpx n SER 40 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3hpx s MET 41 N -2.37 4.22 -1.38 4.33 -1.94 -1.26 -4.89 119.30 116.01 3hpx s MET 41 Ca 0.52 2.41 -0.10 0.00 -1.71 0.00 0.00 55.69 56.80 3hpx s MET 41 Cb 0.37 -3.03 -0.06 0.00 2.01 0.00 0.00 34.83 34.12 3hpx s MET 41 CO 0.19 -0.41 2.58 -0.35 -0.01 0.00 0.00 175.02 177.02 3hpx n PRO 42 N 1.02 3.04 0.22 2.03 -0.04 -1.26 -4.71 135.00 135.30 3hpx n PRO 42 Ca 0.02 -2.06 0.17 0.00 -0.04 0.00 0.00 63.50 61.59 3hpx n PRO 42 Cb 0.40 -2.80 0.85 0.00 -0.04 0.00 0.00 33.50 31.91 3hpx n PRO 42 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3hpx h VAL 43 N 3.36 0.44 0.00 0.52 -1.51 -1.94 -2.33 116.25 114.78 3hpx h VAL 43 Ca 0.71 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.18 3hpx h VAL 43 Cb 0.33 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 3hpx h VAL 43 CO 1.73 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 177.61 3hpx n ASN 44 N -3.74 0.37 0.00 4.19 6.94 -1.26 -2.19 115.26 119.56 3hpx n ASN 44 Ca 0.01 0.60 0.15 0.00 -0.02 0.00 0.00 54.58 55.32 3hpx n ASN 44 Cb 0.31 -0.68 0.87 0.00 -2.36 0.00 0.00 39.78 37.92 3hpx n ASN 44 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3hpx n ARG 45 N -1.92 0.88 -4.15 -3.83 1.74 -0.88 -4.82 116.66 103.67 3hpx n ARG 45 Ca 0.02 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.95 3hpx n ARG 45 Cb 0.17 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 29.97 3hpx n ARG 45 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3hpx s TYR 46 N -2.06 0.55 0.10 -1.55 1.51 -0.93 -5.16 117.35 109.81 3hpx s TYR 46 Ca 0.43 -0.20 0.09 0.00 -1.01 0.00 0.00 57.07 56.39 3hpx s TYR 46 Cb 0.20 -0.35 -0.04 0.00 -0.11 0.00 0.00 41.96 41.67 3hpx s TYR 46 CO 0.36 -0.03 -0.24 1.03 -1.11 0.00 0.00 175.55 175.56 3hpx s ARG 47 N -0.50 1.36 0.53 -0.62 0.52 -1.26 -5.00 118.95 113.99 3hpx s ARG 47 Ca -0.01 -1.21 -0.21 0.00 -0.52 0.00 0.00 55.73 53.78 3hpx s ARG 47 Cb -0.04 -1.70 -0.07 0.00 0.52 0.00 0.00 34.95 33.66 3hpx s ARG 47 CO -0.00 0.41 0.98 -2.30 0.02 0.00 0.00 175.30 174.41 3hpx n PRO 48 N 1.19 1.11 -0.30 3.54 -0.02 -1.26 -4.69 135.00 134.57 3hpx n PRO 48 Ca -0.18 0.41 0.13 0.00 -2.02 0.00 0.00 63.50 61.84 3hpx n PRO 48 Cb 0.53 -2.13 0.30 0.00 -0.02 0.00 0.00 33.50 32.18 3hpx n PRO 48 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3hpx h PHE 49 N 0.93 0.54 -0.61 6.00 3.57 -1.96 -1.34 116.94 124.07 3hpx h PHE 49 Ca -0.47 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.18 3hpx h PHE 49 Cb 1.35 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.96 3hpx h PHE 49 CO 0.40 -0.11 0.41 0.00 -2.23 0.00 0.00 178.31 176.77 3hpx h ALA 50 N 1.74 2.04 0.00 2.41 0.00 -1.90 -0.27 119.26 123.27 3hpx h ALA 50 Ca 0.56 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 55.17 3hpx h ALA 50 Cb 1.10 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 3hpx h ALA 50 CO -0.58 -0.18 -1.73 0.39 0.00 0.00 0.00 179.25 177.16 3hpx n GLU 51 N -4.47 0.63 0.03 0.00 1.02 -0.69 -2.74 120.64 114.42 3hpx n GLU 51 Ca 0.10 0.29 -0.15 0.00 -0.02 0.00 0.00 57.16 57.38 3hpx n GLU 51 Cb 0.39 -1.79 -0.04 0.00 -0.02 0.00 0.00 31.44 29.98 3hpx n GLU 51 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3hpx h GLU 52 N 0.00 0.59 0.00 3.49 4.57 -0.97 -3.45 114.58 118.82 3hpx h GLU 52 Ca -0.29 -0.53 0.00 0.00 -1.18 0.00 0.00 59.36 57.35 3hpx h GLU 52 Cb 2.02 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 30.74 3hpx h GLU 52 CO 0.08 1.16 0.00 0.28 -1.18 0.00 0.00 179.01 179.34 3hpx n VAL 53 N -3.86 0.00 -3.48 0.32 0.31 -0.14 -4.98 118.33 106.51 3hpx n VAL 53 Ca -0.07 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.15 3hpx n VAL 53 Cb 0.78 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.68 3hpx n VAL 53 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3hpx s GLU 54 N 0.10 1.25 0.78 5.55 -1.05 -1.11 -4.97 118.70 119.25 3hpx s GLU 54 Ca 0.00 -0.54 -0.11 0.00 -0.15 0.00 0.00 54.97 54.17 3hpx s GLU 54 Cb 0.00 0.56 0.06 0.00 -0.44 0.00 0.00 34.13 34.31 3hpx s GLU 54 CO 0.00 -0.54 1.08 -1.25 0.95 0.00 0.00 175.26 175.51 3hpx s PRO 55 N -3.77 2.25 -0.31 -4.83 0.04 -1.21 -4.25 135.00 122.93 3hpx s PRO 55 Ca 0.02 0.85 -0.33 0.00 0.04 0.00 0.00 61.00 61.57 3hpx s PRO 55 Cb -0.00 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 3hpx s PRO 55 CO -0.12 -1.56 2.19 -0.89 0.04 0.00 0.00 177.00 176.66 3hpx n ILE 56 N -3.42 0.23 0.28 0.56 -0.00 -1.26 -4.92 119.36 110.83 3hpx n ILE 56 Ca 0.07 -0.31 0.14 0.00 -0.00 0.00 0.00 62.75 62.66 3hpx n ILE 56 Cb 0.55 -1.87 0.65 0.00 -0.00 0.00 0.00 39.64 38.96 3hpx n ILE 56 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.55 176.63 3hpx h ARG 57 N 12.96 0.00 -5.78 0.38 -0.00 -1.95 -3.46 114.38 116.53 3hpx h ARG 57 Ca -0.31 0.00 -0.60 0.00 -0.00 0.00 0.00 59.98 59.07 3hpx h ARG 57 Cb 1.30 0.00 -0.10 0.00 -0.00 0.00 0.00 29.97 31.17 3hpx h ARG 57 CO 1.00 0.00 0.40 -1.17 -0.00 0.00 0.00 179.97 180.20 3hpx s LEU 58 N -4.91 4.09 -0.08 0.08 2.96 -1.26 -5.04 118.68 114.52 3hpx s LEU 58 Ca 0.00 0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 54.47 3hpx s LEU 58 Cb 0.09 -3.07 -0.04 0.00 0.50 0.00 0.00 46.19 43.67 3hpx s LEU 58 CO 0.34 -0.64 0.08 0.00 -1.32 0.00 0.00 176.35 174.80 3hpx s ARG 59 N 3.00 3.20 -1.35 1.98 1.70 -1.26 -4.53 118.95 121.69 3hpx s ARG 59 Ca 0.32 -0.30 -0.06 0.00 -0.47 0.00 0.00 55.73 55.22 3hpx s ARG 59 Cb -0.14 -2.98 0.02 0.00 -0.57 0.00 0.00 34.95 31.29 3hpx s ARG 59 CO 0.14 0.73 0.99 0.09 -1.08 0.00 0.00 175.30 176.16 3hpx n ASN 60 N 1.88 -3.81 -4.51 -2.89 4.13 -1.26 -4.92 115.26 103.88 3hpx n ASN 60 Ca -0.18 -0.68 -0.44 0.00 1.68 0.00 0.00 54.58 54.97 3hpx n ASN 60 Cb 0.54 -4.57 -0.01 0.00 -1.54 0.00 0.00 39.78 34.20 3hpx n ASN 60 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 3hpx n ARG 61 N -4.56 0.85 -0.00 3.52 1.85 -1.26 -4.95 116.66 112.10 3hpx n ARG 61 Ca -0.12 0.30 0.02 0.00 -1.00 0.00 0.00 57.85 57.05 3hpx n ARG 61 Cb 0.60 -1.60 -0.04 0.00 -1.05 0.00 0.00 32.46 30.38 3hpx n ARG 61 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3hpx n THR 62 N -0.28 0.00 -0.33 8.89 -2.24 -1.26 -4.75 114.28 114.32 3hpx n THR 62 Ca 0.12 -0.11 0.22 0.00 -2.27 0.00 0.00 64.05 62.01 3hpx n THR 62 Cb 0.34 0.40 0.49 0.00 -2.10 0.00 0.00 70.33 69.46 3hpx n THR 62 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 3hpx h TRP 63 N 0.00 0.71 0.00 4.78 5.08 -1.92 -0.70 115.95 123.90 3hpx h TRP 63 Ca 0.00 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.99 3hpx h TRP 63 Cb 0.21 -0.21 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 3hpx h TRP 63 CO 0.00 0.06 0.00 -1.35 -1.28 0.00 0.00 178.44 175.87 3hpx h PRO 64 N 0.42 0.00 -0.29 0.12 0.11 -1.93 -2.02 132.00 128.41 3hpx h PRO 64 Ca 0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 3hpx h PRO 64 Cb 1.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.57 3hpx h PRO 64 CO -0.32 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.22 3hpx n ASP 65 N -2.74 3.26 -4.36 -2.05 8.00 -0.28 -4.92 116.55 113.47 3hpx n ASP 65 Ca -0.01 -1.96 -0.36 0.00 0.71 0.00 0.00 54.79 53.17 3hpx n ASP 65 Cb 0.14 -0.18 -0.13 0.00 -0.02 0.00 0.00 41.12 40.92 3hpx n ASP 65 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3hpx s ARG 66 N -1.53 3.42 -0.07 -1.24 1.81 -0.76 -5.08 118.95 115.51 3hpx s ARG 66 Ca 0.34 -0.62 -0.23 0.00 -1.72 0.00 0.00 55.73 53.51 3hpx s ARG 66 Cb 0.21 -3.17 -0.04 0.00 -0.45 0.00 0.00 34.95 31.50 3hpx s ARG 66 CO 0.29 -0.23 0.67 0.08 -0.68 0.00 0.00 175.30 175.43 3hpx s VAL 67 N 1.53 5.06 0.08 3.52 1.01 -1.26 -4.85 120.40 125.48 3hpx s VAL 67 Ca 0.05 1.37 -0.33 0.00 0.00 0.00 0.00 61.98 63.08 3hpx s VAL 67 Cb -0.15 -4.01 -0.12 0.00 0.00 0.00 0.00 36.38 32.10 3hpx s VAL 67 CO -0.00 0.27 1.75 -0.38 0.00 0.00 0.00 175.10 176.74 3hpx n ILE 68 N 3.71 0.29 -0.63 2.22 5.41 -1.26 -4.87 119.36 124.23 3hpx n ILE 68 Ca -0.02 -0.05 0.01 0.00 1.00 0.00 0.00 62.75 63.69 3hpx n ILE 68 Cb 0.51 -1.82 0.02 0.00 -0.71 0.00 0.00 39.64 37.64 3hpx n ILE 68 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3hpx n ASP 69 N 5.06 1.25 -3.53 4.38 3.85 -1.26 -4.99 116.55 121.30 3hpx n ASP 69 Ca 0.19 -1.83 -0.12 0.00 -0.71 0.00 0.00 54.79 52.31 3hpx n ASP 69 Cb 0.32 -0.08 -0.04 0.00 -1.35 0.00 0.00 41.12 39.97 3hpx n ASP 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hpx s ARG 70 N -0.85 1.13 0.30 0.11 1.70 -1.26 -4.97 118.95 115.11 3hpx s ARG 70 Ca 0.04 -0.43 -0.29 0.00 -0.47 0.00 0.00 55.73 54.58 3hpx s ARG 70 Cb 0.04 0.51 -0.10 0.00 -0.57 0.00 0.00 34.95 34.83 3hpx s ARG 70 CO 0.00 -0.45 1.21 0.00 -1.08 0.00 0.00 175.30 174.99 3hpx s ALA 71 N -3.23 3.46 0.84 7.88 0.00 -1.26 -5.05 121.76 124.41 3hpx s ALA 71 Ca -0.01 1.09 -0.12 0.00 0.00 0.00 0.00 51.96 52.92 3hpx s ALA 71 Cb -0.00 -3.41 0.09 0.00 0.00 0.00 0.00 23.12 19.80 3hpx s ALA 71 CO -0.08 -0.42 1.12 -1.25 0.00 0.00 0.00 175.76 175.12 3hpx s PRO 72 N -1.59 1.74 0.00 0.00 0.04 -1.26 -4.99 135.00 128.94 3hpx s PRO 72 Ca 0.47 0.48 -0.30 0.00 0.04 0.00 0.00 61.00 61.69 3hpx s PRO 72 Cb -0.36 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.22 3hpx s PRO 72 CO 0.47 -1.83 1.58 -1.17 0.04 0.00 0.00 177.00 176.09 3hpx s LEU 73 N -5.86 4.33 0.06 -3.56 2.96 -1.07 -4.95 118.68 110.60 3hpx s LEU 73 Ca 0.62 2.28 -0.19 0.00 -0.22 0.00 0.00 54.13 56.62 3hpx s LEU 73 Cb -0.14 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 42.93 3hpx s LEU 73 CO 0.54 -0.85 0.56 0.26 -1.32 0.00 0.00 176.35 175.53 3hpx s TRP 74 N 3.10 3.80 -0.13 5.38 0.52 -1.26 -1.44 118.94 128.90 3hpx s TRP 74 Ca 0.71 1.25 -0.00 0.00 0.02 0.00 0.00 56.10 58.07 3hpx s TRP 74 Cb -0.35 -2.48 0.03 0.00 -1.15 0.00 0.00 33.47 29.52 3hpx s TRP 74 CO 0.29 0.59 -0.10 0.00 0.02 0.00 0.00 176.95 177.75 3hpx s ALA 76 N 1.62 3.56 -0.24 0.00 0.00 -0.85 -2.12 121.76 123.73 3hpx s ALA 76 Ca 0.05 -0.46 0.13 0.00 0.00 0.00 0.00 51.96 51.68 3hpx s ALA 76 Cb -0.13 -2.84 0.55 0.00 0.00 0.00 0.00 23.12 20.70 3hpx s ALA 76 CO -0.09 -0.54 1.49 1.33 0.00 0.00 0.00 175.76 177.95 3hpx n VAL 77 N 4.75 2.47 0.08 0.00 0.24 -0.34 -1.83 118.33 123.69 3hpx n VAL 77 Ca -0.04 -2.15 0.03 0.00 -2.04 0.00 0.00 64.34 60.14 3hpx n VAL 77 Cb 0.50 -0.30 0.42 0.00 -1.47 0.00 0.00 33.84 33.00 3hpx n VAL 77 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3hpx h ASP 78 N 1.58 0.32 1.72 -1.34 5.19 -1.84 0.12 116.42 122.17 3hpx h ASP 78 Ca 0.12 -0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.47 3hpx h ASP 78 Cb 1.65 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 41.08 3hpx h ASP 78 CO 0.36 0.34 -0.11 -0.07 -3.12 0.00 0.00 179.24 176.63 3hpx h LEU 79 N 0.36 0.00 0.00 1.55 3.38 -1.83 0.55 115.31 119.32 3hpx h LEU 79 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hpx h LEU 79 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3hpx h LEU 79 CO -0.00 0.11 0.00 -1.14 0.09 0.00 0.00 178.44 177.50 3hpx n ARG 80 N -3.14 0.00 -0.19 1.13 0.00 -1.14 -4.42 116.66 108.89 3hpx n ARG 80 Ca 0.03 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.92 3hpx n ARG 80 Cb 0.54 -0.02 0.32 0.00 0.00 0.00 0.00 32.46 33.30 3hpx n ARG 80 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 3hpx h ASP 81 N 0.00 0.73 0.49 6.15 3.58 -1.58 -0.72 116.42 125.07 3hpx h ASP 81 Ca 0.00 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 3hpx h ASP 81 Cb 0.00 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.89 3hpx h ASP 81 CO 0.00 0.49 -0.23 1.23 -2.88 0.00 0.00 179.24 177.85 3hpx h GLY 82 N 0.85 -0.68 -0.43 -0.78 0.00 -0.76 -3.29 103.07 97.97 3hpx h GLY 82 Ca 0.30 0.25 0.28 0.00 0.00 0.00 0.00 47.33 48.16 3hpx h GLY 82 CO -0.09 -0.25 0.46 -0.57 0.00 0.00 0.00 176.54 176.09 3hpx h ASN 83 N -1.09 0.37 -0.21 0.19 -1.24 -0.75 -0.20 115.58 112.65 3hpx h ASN 83 Ca -0.07 0.18 0.06 0.00 0.71 0.00 0.00 56.30 57.19 3hpx h ASN 83 Cb 0.50 0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.70 3hpx h ASN 83 CO 0.11 -0.10 0.16 -0.61 -1.29 0.00 0.00 177.43 175.70 3hpx h GLN 84 N 0.33 0.00 -0.01 6.67 5.75 -1.24 -2.46 115.11 124.15 3hpx h GLN 84 Ca 0.65 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.15 3hpx h GLN 84 Cb 1.40 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.95 3hpx h GLN 84 CO -0.60 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 175.58 3hpx n ALA 85 N -2.55 2.64 -2.42 3.38 0.00 -0.09 -4.94 120.51 116.54 3hpx n ALA 85 Ca 0.02 -0.18 -0.37 0.00 0.00 0.00 0.00 53.44 52.91 3hpx n ALA 85 Cb 0.30 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.31 3hpx n ALA 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hpx s LEU 86 N -1.78 4.44 0.13 0.00 1.43 -0.93 -4.85 118.68 117.13 3hpx s LEU 86 Ca 0.37 1.05 -0.16 0.00 -1.03 0.00 0.00 54.13 54.36 3hpx s LEU 86 Cb 0.17 -2.88 -0.01 0.00 0.03 0.00 0.00 46.19 43.50 3hpx s LEU 86 CO 0.29 0.24 1.68 0.40 0.23 0.00 0.00 176.35 179.18 3hpx h ILE 87 N 3.33 1.20 -3.70 -0.59 5.03 -1.90 -3.39 117.51 117.49 3hpx h ILE 87 Ca -0.50 -0.61 -0.69 0.00 -0.12 0.00 0.00 64.86 62.94 3hpx h ILE 87 Cb 1.21 0.87 -0.33 0.00 -3.03 0.00 0.00 36.82 35.53 3hpx h ILE 87 CO 0.64 0.22 -0.66 -1.81 -0.68 0.00 0.00 178.15 175.85 3hpx s ASP 88 N -5.85 5.00 0.59 1.72 1.01 -1.26 -5.09 116.67 112.78 3hpx s ASP 88 Ca -0.13 -1.45 -0.20 0.00 0.71 0.00 0.00 52.55 51.48 3hpx s ASP 88 Cb 0.10 -1.75 -0.03 0.00 1.01 0.00 0.00 42.92 42.25 3hpx s ASP 88 CO 0.75 -0.33 1.33 -2.65 0.21 0.00 0.00 175.17 174.48 3hpx n PRO 89 N 4.62 1.44 -2.06 8.23 -0.02 -1.26 -4.82 135.00 141.13 3hpx n PRO 89 Ca -0.10 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 3hpx n PRO 89 Cb 0.43 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 3hpx n PRO 89 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3hpx s MET 90 N -3.09 4.29 0.80 -0.52 -1.94 -1.26 -5.01 119.30 112.57 3hpx s MET 90 Ca 0.76 2.22 -0.11 0.00 -1.71 0.00 0.00 55.69 56.86 3hpx s MET 90 Cb -0.40 -3.17 0.07 0.00 2.01 0.00 0.00 34.83 33.34 3hpx s MET 90 CO 0.45 -0.44 1.09 -1.54 -0.01 0.00 0.00 175.02 174.57 3hpx s SER 91 N 0.72 4.40 0.33 3.03 1.04 -1.26 -4.78 113.70 117.18 3hpx s SER 91 Ca 0.63 1.46 0.11 0.00 0.48 0.00 0.00 55.95 58.63 3hpx s SER 91 Cb -0.40 -2.20 0.96 0.00 0.10 0.00 0.00 66.02 64.48 3hpx s SER 91 CO 0.36 -2.05 1.70 -0.65 0.98 0.00 0.00 173.24 173.59 3hpx h PRO 92 N -1.14 0.45 -0.24 4.02 0.11 -1.98 -1.34 132.00 131.88 3hpx h PRO 92 Ca -0.47 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3hpx h PRO 92 Cb 1.26 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3hpx h PRO 92 CO 0.57 0.30 0.02 0.00 -0.21 0.00 0.00 178.00 178.67 3hpx h ALA 93 N 1.78 0.33 -0.51 -0.75 0.00 -1.99 -2.02 119.26 116.09 3hpx h ALA 93 Ca 0.68 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 55.31 3hpx h ALA 93 Cb 1.40 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3hpx h ALA 93 CO -0.53 0.04 0.01 0.00 0.00 0.00 0.00 179.25 178.76 3hpx h ARG 94 N 0.21 0.85 -0.28 0.00 3.08 -1.82 -1.75 114.38 114.67 3hpx h ARG 94 Ca 0.07 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3hpx h ARG 94 Cb 0.38 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3hpx h ARG 94 CO 0.01 0.84 0.17 0.87 -1.07 0.00 0.00 179.97 180.80 3hpx h LYS 95 N 0.79 0.37 -0.57 0.04 1.57 -1.16 -1.55 116.57 116.06 3hpx h LYS 95 Ca 0.15 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 3hpx h LYS 95 Cb 0.47 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 3hpx h LYS 95 CO 0.02 0.27 0.15 0.00 -0.57 0.00 0.00 179.45 179.33 3hpx h ARG 96 N 0.36 0.87 -0.60 3.15 3.08 -1.18 0.34 114.38 120.40 3hpx h ARG 96 Ca 0.10 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 3hpx h ARG 96 Cb -0.01 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 3hpx h ARG 96 CO -0.02 0.77 0.26 -0.09 -1.07 0.00 0.00 179.97 179.82 3hpx h ARG 97 N 0.84 0.88 -0.13 0.04 9.65 -1.19 -1.41 114.38 123.06 3hpx h ARG 97 Ca 0.19 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 3hpx h ARG 97 Cb 0.28 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 3hpx h ARG 97 CO -0.00 0.74 0.04 1.98 2.80 0.00 0.00 179.97 185.52 3hpx h MET 98 N 0.83 0.20 -0.29 0.20 1.85 -0.86 -1.44 114.93 115.41 3hpx h MET 98 Ca 0.20 -0.04 0.04 0.00 -0.61 0.00 0.00 59.70 59.29 3hpx h MET 98 Cb 0.17 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 32.13 3hpx h MET 98 CO -0.02 0.34 0.04 0.35 -0.40 0.00 0.00 176.91 177.22 3hpx h PHE 99 N 0.02 0.07 -0.57 1.39 3.57 -0.93 -0.84 116.94 119.65 3hpx h PHE 99 Ca 0.04 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.63 3hpx h PHE 99 Cb 0.22 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.91 3hpx h PHE 99 CO -0.00 0.00 0.25 0.22 -2.23 0.00 0.00 178.31 176.55 3hpx h ASP 100 N 0.14 0.30 -0.03 0.41 3.58 -1.21 -0.06 116.42 119.55 3hpx h ASP 100 Ca 0.14 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.64 3hpx h ASP 100 Cb 0.15 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.21 3hpx h ASP 100 CO -0.19 0.20 0.02 0.25 -2.88 0.00 0.00 179.24 176.64 3hpx h LEU 101 N 0.46 0.04 -0.38 2.28 5.85 -0.99 -0.55 115.31 122.03 3hpx h LEU 101 Ca 0.27 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3hpx h LEU 101 Cb 0.26 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3hpx h LEU 101 CO -0.24 0.06 0.25 -0.07 -0.34 0.00 0.00 178.44 178.10 3hpx h LEU 102 N 0.02 0.43 -0.35 2.25 3.38 -0.77 -1.06 115.31 119.21 3hpx h LEU 102 Ca 0.01 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3hpx h LEU 102 Cb 0.02 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3hpx h LEU 102 CO -0.00 0.31 0.03 0.58 0.09 0.00 0.00 178.44 179.45 3hpx h VAL 103 N 0.51 0.79 0.00 1.22 2.07 -0.91 -2.35 116.25 117.58 3hpx h VAL 103 Ca 0.14 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.53 3hpx h VAL 103 Cb -0.06 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3hpx h VAL 103 CO -0.03 0.03 -0.37 0.03 0.02 0.00 0.00 177.57 177.25 3hpx h ARG 104 N 0.14 0.00 0.00 1.57 3.08 -0.59 -2.52 114.38 116.06 3hpx h ARG 104 Ca 0.17 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.14 3hpx h ARG 104 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3hpx h ARG 104 CO -0.25 0.37 -0.36 0.52 -1.07 0.00 0.00 179.97 179.18 3hpx h MET 105 N 0.00 0.00 0.00 0.04 2.86 -1.15 -3.46 114.93 113.22 3hpx h MET 105 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3hpx h MET 105 Cb 0.72 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.38 3hpx h MET 105 CO 0.05 0.36 0.00 0.41 1.06 0.00 0.00 176.91 178.79 3hpx n GLY 106 N -0.40 1.24 3.76 8.32 0.00 -0.95 -1.19 105.19 115.97 3hpx n GLY 106 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3hpx n GLY 106 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hpx s TYR 107 N -2.00 3.31 -0.09 1.61 1.51 -0.89 -4.94 117.35 115.86 3hpx s TYR 107 Ca 0.00 1.47 0.08 0.00 -1.01 0.00 0.00 57.07 57.61 3hpx s TYR 107 Cb 0.00 -3.51 -0.11 0.00 -0.11 0.00 0.00 41.96 38.23 3hpx s TYR 107 CO 0.00 -1.36 0.21 1.63 -1.11 0.00 0.00 175.55 174.91 3hpx n LYS 108 N 1.51 1.15 -4.26 -0.62 4.76 -1.26 -4.59 118.16 114.84 3hpx n LYS 108 Ca 0.01 -0.06 -0.29 0.00 -2.87 0.00 0.00 58.31 55.10 3hpx n LYS 108 Cb 0.43 -1.12 -0.17 0.00 -1.84 0.00 0.00 35.03 32.34 3hpx n LYS 108 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3hpx s GLU 109 N -2.37 2.28 -0.12 1.97 2.02 -1.26 0.06 118.70 121.28 3hpx s GLU 109 Ca -0.02 -0.57 -0.02 0.00 0.02 0.00 0.00 54.97 54.38 3hpx s GLU 109 Cb 0.05 -2.01 0.04 0.00 0.10 0.00 0.00 34.13 32.32 3hpx s GLU 109 CO 0.33 -0.14 0.03 0.42 0.02 0.00 0.00 175.26 175.92 3hpx s ILE 110 N 1.21 0.33 0.09 -1.63 1.01 -0.92 -2.01 121.20 119.28 3hpx s ILE 110 Ca -0.01 -0.12 -0.31 0.00 0.00 0.00 0.00 60.65 60.21 3hpx s ILE 110 Cb -0.14 -0.68 -0.09 0.00 0.01 0.00 0.00 42.46 41.57 3hpx s ILE 110 CO -0.06 0.03 1.69 -0.70 0.00 0.00 0.00 174.94 175.90 3hpx s GLU 111 N 1.97 4.18 0.00 2.79 2.12 -0.76 -0.84 118.70 128.17 3hpx s GLU 111 Ca 0.03 2.39 0.00 0.00 0.36 0.00 0.00 54.97 57.75 3hpx s GLU 111 Cb -0.14 -3.57 -0.00 0.00 0.26 0.00 0.00 34.13 30.67 3hpx s GLU 111 CO -0.06 -0.75 0.02 1.33 -0.54 0.00 0.00 175.26 175.25 3hpx n VAL 112 N 4.69 0.00 0.00 3.70 0.24 0.89 -4.01 118.33 123.84 3hpx n VAL 112 Ca 0.16 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 3hpx n VAL 112 Cb 0.40 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.77 3hpx n VAL 112 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hpx n GLY 113 N 0.98 0.59 2.76 7.63 0.00 -1.24 -4.71 105.19 111.20 3hpx n GLY 113 Ca 0.00 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 3hpx n GLY 113 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hpx n PHE 114 N -0.55 3.29 0.30 1.61 7.35 -1.26 -0.74 117.46 127.46 3hpx n PHE 114 Ca 0.00 -3.97 0.19 0.00 -0.76 0.00 0.00 57.45 52.91 3hpx n PHE 114 Cb 0.00 -0.48 0.93 0.00 0.35 0.00 0.00 39.48 40.28 3hpx n PHE 114 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 3hpx h PRO 115 N 3.09 0.00 0.00 -7.13 0.13 -1.81 -0.99 132.00 125.30 3hpx h PRO 115 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3hpx h PRO 115 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 3hpx h PRO 115 CO 0.76 0.01 0.00 0.66 -0.23 0.00 0.00 178.00 179.20 3hpx h SER 116 N 0.00 0.00 -0.00 1.44 4.64 -1.84 -3.31 113.55 114.48 3hpx h SER 116 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hpx h SER 116 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3hpx h SER 116 CO 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 176.83 175.66 3hpx n ALA 117 N -1.94 2.90 -3.65 5.18 0.00 -0.42 -4.96 120.51 117.63 3hpx n ALA 117 Ca 0.05 -0.26 -0.26 0.00 0.00 0.00 0.00 53.44 52.97 3hpx n ALA 117 Cb 0.47 -0.27 -0.17 0.00 0.00 0.00 0.00 19.45 19.48 3hpx n ALA 117 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hpx s SER 118 N -1.56 2.37 0.31 0.00 0.15 -0.93 -5.04 113.70 108.99 3hpx s SER 118 Ca 0.04 -0.60 -0.01 0.00 0.70 0.00 0.00 55.95 56.07 3hpx s SER 118 Cb 0.06 -0.32 0.47 0.00 -1.71 0.00 0.00 66.02 64.52 3hpx s SER 118 CO 0.28 -0.33 1.97 -0.61 1.20 0.00 0.00 173.24 175.75 3hpx h GLN 119 N 8.38 1.03 -0.52 5.44 5.75 -1.89 0.69 115.11 134.00 3hpx h GLN 119 Ca -0.15 -0.07 -0.12 0.00 -0.15 0.00 0.00 58.65 58.15 3hpx h GLN 119 Cb 1.14 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 29.45 3hpx h GLN 119 CO 0.29 0.70 -0.16 1.79 -2.65 0.00 0.00 178.83 178.80 3hpx h THR 120 N 1.06 1.27 -0.19 2.39 1.35 -1.96 0.25 112.91 117.08 3hpx h THR 120 Ca 0.28 -1.32 0.04 0.00 -0.55 0.00 0.00 66.41 64.86 3hpx h THR 120 Cb -0.10 1.03 -0.04 0.00 -1.73 0.00 0.00 68.15 67.31 3hpx h THR 120 CO -0.06 0.46 -0.09 0.44 -0.25 0.00 0.00 175.52 176.02 3hpx h ASP 121 N 0.90 -0.31 -0.12 5.36 5.19 -1.85 -0.97 116.42 124.62 3hpx h ASP 121 Ca 0.13 0.08 0.03 0.00 -0.62 0.00 0.00 57.03 56.64 3hpx h ASP 121 Cb 0.74 0.17 -0.03 0.00 0.18 0.00 0.00 39.33 40.39 3hpx h ASP 121 CO 0.06 -0.12 -0.07 0.15 -3.12 0.00 0.00 179.24 176.14 3hpx h PHE 122 N -0.07 -0.16 -0.58 4.55 3.57 -0.23 -1.52 116.94 122.51 3hpx h PHE 122 Ca 0.10 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.69 3hpx h PHE 122 Cb 0.23 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.00 3hpx h PHE 122 CO -0.25 -0.11 0.26 -0.44 -2.23 0.00 0.00 178.31 175.54 3hpx h ASP 123 N -0.06 0.32 -0.43 0.41 3.32 -0.38 -2.37 116.42 117.22 3hpx h ASP 123 Ca 0.07 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3hpx h ASP 123 Cb 0.17 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3hpx h ASP 123 CO -0.16 0.21 0.26 0.15 -1.72 0.00 0.00 179.24 177.98 3hpx h PHE 124 N 0.48 0.56 -0.25 4.55 3.57 -0.83 -1.27 116.94 123.75 3hpx h PHE 124 Ca 0.27 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.81 3hpx h PHE 124 Cb 0.26 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 3hpx h PHE 124 CO -0.13 0.39 0.04 0.28 -2.23 0.00 0.00 178.31 176.66 3hpx h VAL 125 N 0.57 0.88 -0.30 1.41 2.07 -0.95 -1.40 116.25 118.53 3hpx h VAL 125 Ca 0.16 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.68 3hpx h VAL 125 Cb -0.01 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 3hpx h VAL 125 CO -0.03 0.02 -0.01 0.03 0.02 0.00 0.00 177.57 177.60 3hpx h ARG 126 N 0.13 0.07 -0.13 1.57 2.47 -1.31 -1.93 114.38 115.25 3hpx h ARG 126 Ca 0.11 -0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.86 3hpx h ARG 126 Cb 0.12 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.38 3hpx h ARG 126 CO -0.16 0.05 -0.10 1.49 0.56 0.00 0.00 179.97 181.81 3hpx h GLU 127 N 0.07 -0.10 -0.29 0.04 4.81 -0.89 0.29 114.58 118.51 3hpx h GLU 127 Ca 0.14 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.28 3hpx h GLU 127 Cb 0.19 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3hpx h GLU 127 CO -0.25 -0.07 -0.22 -0.84 -0.73 0.00 0.00 179.01 176.90 3hpx h ILE 128 N -0.10 1.26 0.29 2.32 3.07 -1.14 -0.53 117.51 122.68 3hpx h ILE 128 Ca 0.08 -1.24 -0.01 0.00 1.55 0.00 0.00 64.86 65.24 3hpx h ILE 128 Cb 0.23 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 38.06 3hpx h ILE 128 CO -0.20 0.40 -0.14 0.40 -1.05 0.00 0.00 178.15 177.57 3hpx h ILE 129 N 0.49 0.66 -0.02 0.16 2.04 -1.15 -1.43 117.51 118.26 3hpx h ILE 129 Ca 0.07 -0.76 -0.07 0.00 1.00 0.00 0.00 64.86 65.10 3hpx h ILE 129 Cb 0.65 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3hpx h ILE 129 CO 0.05 0.14 -0.33 -0.33 0.00 0.00 0.00 178.15 177.67 3hpx h GLU 130 N -0.84 0.04 -0.01 2.37 5.08 -0.41 -2.96 114.58 117.85 3hpx h GLU 130 Ca -0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3hpx h GLU 130 Cb 0.52 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3hpx h GLU 130 CO 0.06 0.38 -0.09 1.04 -1.00 0.00 0.00 179.01 179.40 3hpx n GLN 131 N -4.13 1.37 -2.59 2.33 1.13 -0.21 -4.95 117.38 110.33 3hpx n GLN 131 Ca -0.02 -0.80 -0.14 0.00 -1.94 0.00 0.00 57.00 54.10 3hpx n GLN 131 Cb 0.38 -1.48 0.01 0.00 0.11 0.00 0.00 30.24 29.27 3hpx n GLN 131 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hpx n GLY 132 N 1.24 -0.09 0.21 1.08 0.00 -1.12 -4.94 105.19 101.55 3hpx n GLY 132 Ca 0.17 -0.25 0.14 0.00 0.00 0.00 0.00 46.02 46.08 3hpx n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hpx h ALA 133 N 0.62 1.00 -2.37 4.61 0.00 -1.53 -3.45 119.26 118.14 3hpx h ALA 133 Ca -0.32 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 53.97 3hpx h ALA 133 Cb 1.23 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.90 3hpx h ALA 133 CO 0.36 0.00 0.21 0.42 0.00 0.00 0.00 179.25 180.24 3hpx s ILE 134 N -3.43 4.91 0.76 0.00 1.01 -1.25 -5.04 121.20 118.15 3hpx s ILE 134 Ca 0.04 0.97 -0.14 0.00 0.00 0.00 0.00 60.65 61.52 3hpx s ILE 134 Cb 0.09 -4.03 0.06 0.00 0.01 0.00 0.00 42.46 38.58 3hpx s ILE 134 CO 0.52 -0.15 1.21 -2.84 0.00 0.00 0.00 174.94 173.68 3hpx s PRO 135 N 2.69 1.94 0.47 2.79 0.02 -1.26 -4.91 135.00 136.73 3hpx s PRO 135 Ca 0.27 1.75 0.15 0.00 0.02 0.00 0.00 61.00 63.19 3hpx s PRO 135 Cb -0.15 -1.81 1.08 0.00 0.02 0.00 0.00 34.50 33.64 3hpx s PRO 135 CO 0.12 -1.99 2.03 -0.44 -0.33 0.00 0.00 177.00 176.40 3hpx h ASP 136 N -0.55 0.00 -0.49 2.53 3.32 -1.99 -2.22 116.42 117.02 3hpx h ASP 136 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3hpx h ASP 136 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3hpx h ASP 136 CO 0.48 0.13 0.00 -0.90 -1.72 0.00 0.00 179.24 177.24 3hpx n ASP 137 N -4.38 3.54 -4.69 6.45 5.75 -1.26 -4.88 116.55 117.08 3hpx n ASP 137 Ca -0.03 -2.29 -0.35 0.00 -0.01 0.00 0.00 54.79 52.12 3hpx n ASP 137 Cb 0.20 -0.48 -0.09 0.00 -1.03 0.00 0.00 41.12 39.73 3hpx n ASP 137 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3hpx s VAL 138 N -1.70 4.72 -0.26 2.12 1.01 -0.84 -4.74 120.40 120.71 3hpx s VAL 138 Ca 0.37 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 3hpx s VAL 138 Cb 0.24 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 33.59 3hpx s VAL 138 CO 0.19 0.55 -0.05 -0.89 0.00 0.00 0.00 175.10 174.90 3hpx s THR 139 N -0.37 2.91 0.43 3.92 2.01 0.11 -4.82 115.64 119.83 3hpx s THR 139 Ca 0.09 -1.09 -0.25 0.00 0.31 0.00 0.00 61.69 60.74 3hpx s THR 139 Cb -0.12 -2.52 -0.08 0.00 0.01 0.00 0.00 72.50 69.79 3hpx s THR 139 CO 0.02 0.13 1.32 0.27 -0.69 0.00 0.00 174.62 175.67 3hpx s ILE 140 N 1.31 2.50 -0.08 1.82 -4.36 -1.26 -2.15 121.20 118.97 3hpx s ILE 140 Ca -0.01 0.43 0.05 0.00 -0.26 0.00 0.00 60.65 60.86 3hpx s ILE 140 Cb -0.17 -3.25 -0.00 0.00 1.25 0.00 0.00 42.46 40.29 3hpx s ILE 140 CO -0.04 0.05 -0.24 -1.58 0.24 0.00 0.00 174.94 173.37 3hpx s GLN 141 N -2.39 2.85 -0.02 0.37 0.74 -0.02 -0.52 119.66 120.67 3hpx s GLN 141 Ca 0.60 -0.89 0.07 0.00 0.05 0.00 0.00 55.36 55.19 3hpx s GLN 141 Cb -0.39 -2.24 -0.02 0.00 1.10 0.00 0.00 33.01 31.46 3hpx s GLN 141 CO 0.49 0.26 -0.24 0.14 -0.55 0.00 0.00 175.29 175.39 3hpx s VAL 142 N 0.14 1.91 -0.05 1.34 -7.23 0.43 -0.08 120.40 116.85 3hpx s VAL 142 Ca -0.13 -1.03 -0.13 0.00 -1.81 0.00 0.00 61.98 58.88 3hpx s VAL 142 Cb -0.16 -1.59 -0.05 0.00 0.56 0.00 0.00 36.38 35.14 3hpx s VAL 142 CO 0.07 0.54 0.34 -0.22 -0.31 0.00 0.00 175.10 175.52 3hpx s LEU 143 N -0.54 4.42 -0.00 1.32 2.96 0.08 0.04 118.68 126.96 3hpx s LEU 143 Ca 0.08 0.79 -0.08 0.00 -0.22 0.00 0.00 54.13 54.70 3hpx s LEU 143 Cb -0.10 -2.45 0.00 0.00 0.50 0.00 0.00 46.19 44.15 3hpx s LEU 143 CO -0.01 0.30 0.16 0.28 -1.32 0.00 0.00 176.35 175.76 3hpx s THR 144 N -0.78 0.08 0.73 3.68 -1.32 0.57 -4.25 115.64 114.35 3hpx s THR 144 Ca 0.21 -0.64 -0.09 0.00 -1.21 0.00 0.00 61.69 59.96 3hpx s THR 144 Cb -0.15 -0.45 0.06 0.00 -1.51 0.00 0.00 72.50 70.45 3hpx s THR 144 CO 0.10 -0.35 1.07 -1.10 -2.21 0.00 0.00 174.62 172.12 3hpx s GLN 145 N -1.32 2.28 0.44 7.08 -0.21 -1.26 -2.73 119.66 123.93 3hpx s GLN 145 Ca -0.14 -0.03 0.28 0.00 0.02 0.00 0.00 55.36 55.50 3hpx s GLN 145 Cb -0.07 -2.09 0.96 0.00 1.00 0.00 0.00 33.01 32.80 3hpx s GLN 145 CO 0.02 -1.27 1.81 0.00 -2.12 0.00 0.00 175.29 173.73 3hpx n ARG 147 N -2.87 1.27 -0.08 0.00 1.85 -1.26 -4.47 116.66 111.11 3hpx n ARG 147 Ca 0.02 0.45 0.00 0.00 -1.00 0.00 0.00 57.85 57.33 3hpx n ARG 147 Cb 0.37 -1.95 0.29 0.00 -1.05 0.00 0.00 32.46 30.12 3hpx n ARG 147 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 3hpx h PRO 148 N 3.28 0.70 -0.06 2.89 0.13 -1.97 -1.67 132.00 135.30 3hpx h PRO 148 Ca -0.43 -0.10 -0.14 0.00 -0.87 0.00 0.00 66.00 64.46 3hpx h PRO 148 Cb 1.34 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3hpx h PRO 148 CO 0.69 0.58 -0.60 1.05 -0.23 0.00 0.00 178.00 179.49 3hpx h GLU 149 N 0.69 0.19 -0.20 0.86 9.09 -1.97 -1.26 114.58 121.99 3hpx h GLU 149 Ca 0.17 -0.13 -0.09 0.00 0.05 0.00 0.00 59.36 59.36 3hpx h GLU 149 Cb 0.14 0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 27.25 3hpx h GLU 149 CO -0.02 0.73 -0.23 -0.07 0.05 0.00 0.00 179.01 179.48 3hpx h LEU 150 N 0.14 0.54 -0.80 3.06 3.38 -1.77 -2.05 115.31 117.81 3hpx h LEU 150 Ca -0.01 -0.49 0.09 0.00 0.09 0.00 0.00 57.88 57.56 3hpx h LEU 150 Cb 1.09 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 3hpx h LEU 150 CO 0.09 0.93 0.46 0.40 0.09 0.00 0.00 178.44 180.41 3hpx h ILE 151 N 0.17 0.93 -0.57 1.22 2.04 -1.21 -1.66 117.51 118.42 3hpx h ILE 151 Ca 0.03 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 3hpx h ILE 151 Cb 0.79 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 3hpx h ILE 151 CO 0.06 0.14 0.30 -0.33 0.00 0.00 0.00 178.15 178.32 3hpx h GLU 152 N 0.79 0.81 -0.06 2.37 5.08 -1.10 -2.68 114.58 119.79 3hpx h GLU 152 Ca 0.38 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.59 3hpx h GLU 152 Cb 0.32 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3hpx h GLU 152 CO -0.23 0.63 -0.19 -0.09 -1.00 0.00 0.00 179.01 178.13 3hpx h ARG 153 N 0.77 0.10 -0.02 2.33 2.43 -1.03 -2.15 114.38 116.82 3hpx h ARG 153 Ca 0.20 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3hpx h ARG 153 Cb 0.07 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3hpx h ARG 153 CO -0.03 0.30 -0.01 1.15 -1.51 0.00 0.00 179.97 179.87 3hpx h THR 154 N 0.09 1.29 -0.66 0.20 2.02 -1.09 -1.60 112.91 113.16 3hpx h THR 154 Ca 0.02 -0.88 0.01 0.00 0.77 0.00 0.00 66.41 66.33 3hpx h THR 154 Cb 0.40 1.84 -0.04 0.00 -1.74 0.00 0.00 68.15 68.62 3hpx h THR 154 CO 0.03 0.23 0.43 -0.26 0.37 0.00 0.00 175.52 176.32 3hpx h PHE 155 N -0.31 0.82 -0.66 3.16 -1.00 -1.39 -2.91 116.94 114.64 3hpx h PHE 155 Ca 0.01 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.83 3hpx h PHE 155 Cb 0.38 -0.27 -0.04 0.00 3.61 0.00 0.00 35.95 39.63 3hpx h PHE 155 CO 0.05 0.50 0.42 1.96 -1.61 0.00 0.00 178.31 179.63 3hpx h GLN 156 N 0.87 0.80 -0.80 1.51 4.20 -1.33 -2.23 115.11 118.13 3hpx h GLN 156 Ca 0.25 -0.05 0.16 0.00 0.06 0.00 0.00 58.65 59.07 3hpx h GLN 156 Cb -0.07 -0.18 -0.06 0.00 0.30 0.00 0.00 27.48 27.48 3hpx h GLN 156 CO -0.07 0.53 0.53 0.00 -0.67 0.00 0.00 178.83 179.15 3hpx h ALA 157 N 1.27 2.11 -0.49 3.87 0.00 -1.13 -1.85 119.26 123.04 3hpx h ALA 157 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hpx h ALA 157 Cb -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3hpx h ALA 157 CO -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 179.25 178.83 3hpx n SER 159 N 1.05 3.39 0.00 0.00 2.88 -0.70 -1.44 113.62 118.81 3hpx n SER 159 Ca 0.18 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 3hpx n SER 159 Cb 0.46 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 3hpx n SER 159 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hpx n GLY 160 N 3.92 1.72 3.75 0.46 0.00 -1.26 -4.95 105.19 108.83 3hpx n GLY 160 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3hpx n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hpx s ALA 161 N -2.34 3.56 0.20 4.61 0.00 -0.52 -4.91 121.76 122.35 3hpx s ALA 161 Ca 0.00 1.27 0.16 0.00 0.00 0.00 0.00 51.96 53.39 3hpx s ALA 161 Cb 0.00 -3.51 0.59 0.00 0.00 0.00 0.00 23.12 20.20 3hpx s ALA 161 CO 0.00 -0.67 1.70 -1.00 0.00 0.00 0.00 175.76 175.79 3hpx h PRO 162 N 4.39 0.00 -2.42 0.00 0.13 -1.89 -3.38 132.00 128.83 3hpx h PRO 162 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 3hpx h PRO 162 Cb 1.22 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.17 3hpx h PRO 162 CO 0.72 0.44 0.09 -0.98 -0.23 0.00 0.00 178.00 178.04 3hpx s ARG 163 N -3.61 1.02 -0.07 0.86 1.70 -1.26 -1.66 118.95 115.93 3hpx s ARG 163 Ca -0.00 0.01 -0.27 0.00 -0.47 0.00 0.00 55.73 55.00 3hpx s ARG 163 Cb 0.11 0.47 0.06 0.00 -0.57 0.00 0.00 34.95 35.03 3hpx s ARG 163 CO 0.71 -0.34 0.60 0.00 -1.08 0.00 0.00 175.30 175.19 3hpx s ALA 164 N -1.73 -1.55 -0.29 7.88 0.00 -1.05 -4.18 121.76 120.85 3hpx s ALA 164 Ca -0.09 1.18 -0.10 0.00 0.00 0.00 0.00 51.96 52.94 3hpx s ALA 164 Cb -0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 3hpx s ALA 164 CO 0.04 -0.34 0.17 0.42 0.00 0.00 0.00 175.76 176.06 3hpx s ILE 165 N -1.02 5.06 -0.43 0.00 1.01 0.32 -0.86 121.20 125.29 3hpx s ILE 165 Ca -0.10 0.00 -0.21 0.00 0.00 0.00 0.00 60.65 60.35 3hpx s ILE 165 Cb -0.02 -3.45 0.02 0.00 0.01 0.00 0.00 42.46 39.03 3hpx s ILE 165 CO 0.08 0.21 0.64 -0.69 0.00 0.00 0.00 174.94 175.18 3hpx s VAL 166 N 1.72 4.83 -0.46 2.92 1.01 -0.44 -0.43 120.40 129.56 3hpx s VAL 166 Ca 0.07 0.19 -0.15 0.00 0.00 0.00 0.00 61.98 62.08 3hpx s VAL 166 Cb -0.16 -4.19 0.06 0.00 0.00 0.00 0.00 36.38 32.09 3hpx s VAL 166 CO 0.09 -0.55 0.38 -2.28 0.00 0.00 0.00 175.10 172.74 3hpx s HIS 167 N 2.81 3.24 0.03 5.22 2.46 0.11 -1.55 115.29 127.61 3hpx s HIS 167 Ca 0.23 -0.83 0.02 0.00 0.47 0.00 0.00 55.06 54.95 3hpx s HIS 167 Cb -0.14 -3.03 -0.04 0.00 -0.13 0.00 0.00 32.58 29.24 3hpx s HIS 167 CO 0.18 -0.75 0.04 -0.59 -2.47 0.00 0.00 174.74 171.15 3hpx s PHE 168 N 1.67 3.14 0.12 3.88 -0.12 -0.42 -0.31 117.98 125.94 3hpx s PHE 168 Ca 0.05 0.09 -0.14 0.00 -0.05 0.00 0.00 56.93 56.87 3hpx s PHE 168 Cb -0.23 -1.65 0.03 0.00 -0.63 0.00 0.00 43.02 40.54 3hpx s PHE 168 CO 0.08 0.50 0.36 1.52 -0.05 0.00 0.00 175.22 177.63 3hpx s TYR 169 N -1.22 -0.10 -0.07 3.49 -0.85 -1.10 -2.61 117.35 114.89 3hpx s TYR 169 Ca 0.24 -0.25 -0.24 0.00 -0.52 0.00 0.00 57.07 56.31 3hpx s TYR 169 Cb -0.12 0.19 0.05 0.00 0.38 0.00 0.00 41.96 42.46 3hpx s TYR 169 CO 0.15 -0.68 0.54 0.54 -1.52 0.00 0.00 175.55 174.58 3hpx s ASN 170 N -2.83 -0.50 0.01 -0.18 4.22 -1.16 -3.88 114.94 110.63 3hpx s ASN 170 Ca 0.04 0.61 -0.30 0.00 -2.14 0.00 0.00 52.86 51.07 3hpx s ASN 170 Cb 0.02 0.60 -0.07 0.00 1.28 0.00 0.00 41.25 43.08 3hpx s ASN 170 CO -0.11 -0.47 1.58 -0.55 -2.04 0.00 0.00 177.10 175.51 3hpx s SER 171 N -0.93 6.69 0.00 3.54 0.15 -1.26 -0.87 113.70 121.02 3hpx s SER 171 Ca -0.10 2.31 0.13 0.00 0.70 0.00 0.00 55.95 58.99 3hpx s SER 171 Cb -0.02 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.76 3hpx s SER 171 CO 0.06 -0.85 0.77 0.35 1.20 0.00 0.00 173.24 174.77 3hpx n THR 172 N 4.92 0.00 -1.27 6.45 -2.24 -0.48 -4.71 114.28 116.95 3hpx n THR 172 Ca 0.15 -0.41 -0.33 0.00 -2.27 0.00 0.00 64.05 61.20 3hpx n THR 172 Cb 0.42 1.18 0.11 0.00 -2.10 0.00 0.00 70.33 69.94 3hpx n THR 172 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hpx s SER 173 N -1.42 4.02 0.15 3.42 1.04 -1.25 -4.74 113.70 114.91 3hpx s SER 173 Ca 0.12 2.22 -0.21 0.00 0.48 0.00 0.00 55.95 58.56 3hpx s SER 173 Cb 0.10 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.68 3hpx s SER 173 CO 0.27 -2.38 1.65 0.40 0.98 0.00 0.00 173.24 174.16 3hpx h ILE 174 N -0.73 0.53 -0.07 -1.02 2.04 -1.67 -1.51 117.51 115.08 3hpx h ILE 174 Ca -0.46 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.42 3hpx h ILE 174 Cb 1.28 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 3hpx h ILE 174 CO 0.48 0.00 -0.06 0.25 0.00 0.00 0.00 178.15 178.83 3hpx h LEU 175 N -0.15 -0.18 -0.53 1.44 5.85 -1.92 -2.66 115.31 117.16 3hpx h LEU 175 Ca 0.14 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.78 3hpx h LEU 175 Cb 0.36 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3hpx h LEU 175 CO -0.34 -0.08 -0.11 1.56 -0.34 0.00 0.00 178.44 179.12 3hpx h GLN 176 N -0.07 1.01 -0.63 1.25 4.20 -1.91 -0.74 115.11 118.22 3hpx h GLN 176 Ca 0.05 -0.38 0.13 0.00 0.06 0.00 0.00 58.65 58.51 3hpx h GLN 176 Cb 0.14 -0.06 -0.10 0.00 0.30 0.00 0.00 27.48 27.76 3hpx h GLN 176 CO -0.11 1.06 0.06 0.00 -0.67 0.00 0.00 178.83 179.17 3hpx h ARG 177 N 0.88 0.17 0.42 1.46 3.08 -1.31 0.78 114.38 119.87 3hpx h ARG 177 Ca 0.13 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 3hpx h ARG 177 Cb 0.68 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3hpx h ARG 177 CO 0.05 0.11 -0.20 -0.09 -1.07 0.00 0.00 179.97 178.77 3hpx h ARG 178 N 0.18 -0.54 0.00 0.04 2.43 -1.10 0.52 114.38 115.90 3hpx h ARG 178 Ca 0.34 0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.41 3hpx h ARG 178 Cb 0.55 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 3hpx h ARG 178 CO -0.50 -0.33 -1.39 1.33 -1.51 0.00 0.00 179.97 177.58 3hpx n VAL 179 N -5.15 1.04 -0.13 0.20 0.24 -0.32 -2.78 118.33 111.44 3hpx n VAL 179 Ca -0.08 -0.66 -0.26 0.00 -2.04 0.00 0.00 64.34 61.30 3hpx n VAL 179 Cb 0.24 -0.63 -0.11 0.00 -1.47 0.00 0.00 33.84 31.87 3hpx n VAL 179 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3hpx n VAL 180 N -2.82 1.54 0.02 3.34 0.31 -0.42 -4.67 118.33 115.63 3hpx n VAL 180 Ca -0.08 -0.36 0.08 0.00 -0.01 0.00 0.00 64.34 63.96 3hpx n VAL 180 Cb 0.78 -1.84 -0.11 0.00 -0.91 0.00 0.00 33.84 31.76 3hpx n VAL 180 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3hpx n PHE 181 N -4.11 0.37 -4.06 3.52 3.01 0.14 -4.99 117.46 111.35 3hpx n PHE 181 Ca -0.48 0.11 -0.30 0.00 1.01 0.00 0.00 57.45 57.79 3hpx n PHE 181 Cb 0.87 -0.74 -0.04 0.00 -0.01 0.00 0.00 39.48 39.56 3hpx n PHE 181 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3hpx n ARG 182 N -2.50 -2.04 -3.88 -1.08 1.74 0.06 -4.96 116.66 104.00 3hpx n ARG 182 Ca -0.07 0.28 -0.11 0.00 -0.77 0.00 0.00 57.85 57.18 3hpx n ARG 182 Cb 0.66 -3.98 -0.10 0.00 -1.02 0.00 0.00 32.46 28.01 3hpx n ARG 182 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hpx s ALA 183 N -4.01 -0.27 0.98 7.54 0.00 -0.51 -5.02 121.76 120.48 3hpx s ALA 183 Ca 0.10 -0.12 -0.16 0.00 0.00 0.00 0.00 51.96 51.77 3hpx s ALA 183 Cb -0.04 0.06 0.21 0.00 0.00 0.00 0.00 23.12 23.35 3hpx s ALA 183 CO 0.93 -0.18 1.32 0.54 0.00 0.00 0.00 175.76 178.37 3hpx s ASN 184 N -1.17 2.94 0.05 0.00 2.20 -1.26 -4.47 114.94 113.23 3hpx s ASN 184 Ca -0.13 0.26 -0.23 0.00 -0.94 0.00 0.00 52.86 51.82 3hpx s ASN 184 Cb -0.07 -0.29 -0.15 0.00 -2.00 0.00 0.00 41.25 38.75 3hpx s ASN 184 CO 0.01 -2.84 1.52 0.03 -2.94 0.00 0.00 177.10 172.88 3hpx h ARG 185 N -1.72 0.11 -0.62 3.55 3.08 -1.99 -2.39 114.38 114.40 3hpx h ARG 185 Ca -0.44 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 59.62 3hpx h ARG 185 Cb 1.23 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.22 3hpx h ARG 185 CO 0.36 0.32 0.37 0.00 -1.07 0.00 0.00 179.97 179.95 3hpx h ALA 186 N 0.79 0.81 -0.41 0.04 0.00 -1.99 -1.22 119.26 117.28 3hpx h ALA 186 Ca 0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3hpx h ALA 186 Cb 0.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3hpx h ALA 186 CO 0.00 0.08 0.13 1.49 0.00 0.00 0.00 179.25 180.95 3hpx h GLU 187 N 0.71 0.63 -0.60 0.00 4.81 -1.91 -1.33 114.58 116.88 3hpx h GLU 187 Ca 0.26 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 3hpx h GLU 187 Cb 0.08 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3hpx h GLU 187 CO -0.13 0.62 0.05 0.28 -0.73 0.00 0.00 179.01 179.11 3hpx h VAL 188 N 0.51 1.26 -0.72 0.32 2.07 -1.31 -2.83 116.25 115.55 3hpx h VAL 188 Ca 0.13 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 3hpx h VAL 188 Cb 0.25 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 3hpx h VAL 188 CO -0.01 0.39 0.45 -0.61 0.02 0.00 0.00 177.57 177.81 3hpx h GLN 189 N 0.94 0.98 -0.79 1.57 4.15 -1.01 -2.98 115.11 117.97 3hpx h GLN 189 Ca 0.18 -0.08 0.06 0.00 0.77 0.00 0.00 58.65 59.58 3hpx h GLN 189 Cb 0.47 -0.21 -0.05 0.00 0.21 0.00 0.00 27.48 27.90 3hpx h GLN 189 CO 0.02 0.68 0.52 0.00 -1.93 0.00 0.00 178.83 178.12 3hpx h ALA 190 N 1.24 1.63 -0.29 3.38 0.00 -1.08 -0.48 119.26 123.65 3hpx h ALA 190 Ca 0.26 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.21 3hpx h ALA 190 Cb -0.05 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.46 3hpx h ALA 190 CO -0.05 0.25 -0.09 0.82 0.00 0.00 0.00 179.25 180.17 3hpx h ILE 191 N 0.86 0.66 -0.07 0.00 2.04 -1.34 0.37 117.51 120.02 3hpx h ILE 191 Ca 0.34 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.19 3hpx h ILE 191 Cb 0.23 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3hpx h ILE 191 CO -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 178.03 3hpx h ALA 192 N 1.25 0.09 -0.69 1.87 0.00 -1.43 -0.18 119.26 120.17 3hpx h ALA 192 Ca 0.15 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3hpx h ALA 192 Cb 0.25 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3hpx h ALA 192 CO -0.32 -0.22 0.16 1.79 0.00 0.00 0.00 179.25 180.66 3hpx h THR 193 N -0.19 1.26 -0.50 0.00 1.35 -0.99 -0.83 112.91 113.01 3hpx h THR 193 Ca 0.02 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 3hpx h THR 193 Cb 0.37 0.56 -0.02 0.00 -1.73 0.00 0.00 68.15 67.33 3hpx h THR 193 CO 0.00 0.37 0.32 0.44 -0.25 0.00 0.00 175.52 176.41 3hpx h ASP 194 N 1.04 0.58 -0.57 5.36 3.32 -0.28 -0.76 116.42 125.12 3hpx h ASP 194 Ca 0.22 -0.03 0.11 0.00 0.02 0.00 0.00 57.03 57.35 3hpx h ASP 194 Cb 0.37 -0.15 -0.09 0.00 0.22 0.00 0.00 39.33 39.69 3hpx h ASP 194 CO 0.00 0.43 0.05 1.23 -1.72 0.00 0.00 179.24 179.23 3hpx h GLY 195 N 0.67 0.64 0.98 2.75 0.00 -0.82 -1.17 103.07 106.12 3hpx h GLY 195 Ca 0.18 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 3hpx h GLY 195 CO -0.04 -0.15 0.25 0.00 0.00 0.00 0.00 176.54 176.61 3hpx h ALA 196 N 1.49 0.69 -0.51 3.60 0.00 -0.75 -1.35 119.26 122.44 3hpx h ALA 196 Ca 0.29 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3hpx h ALA 196 Cb 0.45 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3hpx h ALA 196 CO -0.44 0.27 0.28 0.00 0.00 0.00 0.00 179.25 179.36 3hpx h ARG 197 N 0.72 0.54 -0.86 0.00 3.08 -0.95 -1.22 114.38 115.69 3hpx h ARG 197 Ca 0.18 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.21 3hpx h ARG 197 Cb 0.13 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 3hpx h ARG 197 CO -0.02 0.36 0.57 -0.22 -1.07 0.00 0.00 179.97 179.58 3hpx h LYS 198 N 0.56 1.14 -0.54 0.04 1.63 -0.97 -0.87 116.57 117.56 3hpx h LYS 198 Ca 0.22 -0.07 -0.09 0.00 -0.85 0.00 0.00 60.65 59.85 3hpx h LYS 198 Cb 0.08 -0.26 -0.02 0.00 -0.60 0.00 0.00 32.23 31.44 3hpx h LYS 198 CO -0.13 0.75 -0.04 0.00 -3.45 0.00 0.00 179.45 176.59 3hpx h VAL 200 N 0.86 1.20 -0.15 0.00 2.07 -0.97 -0.47 116.25 118.79 3hpx h VAL 200 Ca 0.15 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 67.08 3hpx h VAL 200 Cb 0.56 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 3hpx h VAL 200 CO 0.03 0.19 -0.18 -0.08 0.02 0.00 0.00 177.57 177.55 3hpx h GLU 201 N -0.01 -0.20 -0.77 1.57 4.81 -0.94 -2.75 114.58 116.28 3hpx h GLU 201 Ca 0.04 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 3hpx h GLU 201 Cb 0.26 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 3hpx h GLU 201 CO 0.00 -0.14 0.35 1.96 -0.73 0.00 0.00 179.01 180.46 3hpx h GLN 202 N -0.21 1.11 -0.84 1.92 1.08 -0.95 -2.35 115.11 114.87 3hpx h GLN 202 Ca 0.11 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 3hpx h GLN 202 Cb 0.37 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.56 3hpx h GLN 202 CO -0.28 0.87 0.52 0.00 -0.95 0.00 0.00 178.83 178.99 3hpx h ALA 203 N 1.28 1.34 -0.12 3.87 0.00 -0.94 -2.07 119.26 122.62 3hpx h ALA 203 Ca 0.26 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3hpx h ALA 203 Cb 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3hpx h ALA 203 CO -0.03 0.58 -0.41 0.00 0.00 0.00 0.00 179.25 179.39 3hpx h ALA 204 N 1.43 1.08 0.00 0.00 0.00 -1.21 -2.43 119.26 118.13 3hpx h ALA 204 Ca 0.30 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3hpx h ALA 204 Cb -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3hpx h ALA 204 CO -0.06 0.60 -0.32 -0.22 0.00 0.00 0.00 179.25 179.25 3hpx h LYS 205 N 0.23 0.00 -2.25 0.00 3.64 -0.90 -3.35 116.57 113.94 3hpx h LYS 205 Ca 0.02 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.81 3hpx h LYS 205 Cb 0.82 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 32.22 3hpx h LYS 205 CO 0.07 0.32 -0.62 0.66 -2.27 0.00 0.00 179.45 177.60 3hpx n TYR 206 N -3.74 3.91 -0.53 1.91 4.02 -0.83 -5.10 117.16 116.81 3hpx n TYR 206 Ca -0.01 -4.06 -0.29 0.00 -0.01 0.00 0.00 57.90 53.53 3hpx n TYR 206 Cb 0.41 -0.52 0.24 0.00 -0.02 0.00 0.00 39.34 39.46 3hpx n TYR 206 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3hpx s PRO 207 N -3.09 -0.69 0.00 -0.72 0.04 -1.24 -3.20 135.00 126.09 3hpx s PRO 207 Ca 0.45 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.49 3hpx s PRO 207 Cb 0.23 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 33.20 3hpx s PRO 207 CO -0.09 -3.62 0.00 0.41 0.04 0.00 0.00 177.00 173.74 3hpx n GLY 208 N 0.81 2.74 3.74 0.56 0.00 -1.26 -4.94 105.19 106.84 3hpx n GLY 208 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3hpx n GLY 208 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hpx s THR 209 N -0.48 4.93 -0.67 2.61 2.01 -1.19 -4.77 115.64 118.07 3hpx s THR 209 Ca 0.00 1.39 -0.25 0.00 0.31 0.00 0.00 61.69 63.14 3hpx s THR 209 Cb 0.00 -4.01 0.05 0.00 0.01 0.00 0.00 72.50 68.55 3hpx s THR 209 CO 0.00 0.34 1.10 0.00 -0.69 0.00 0.00 174.62 175.38 3hpx s GLN 210 N 0.22 3.20 0.08 4.92 0.00 -0.66 -4.96 119.66 122.46 3hpx s GLN 210 Ca 0.35 -0.44 -0.23 0.00 -0.00 0.00 0.00 55.36 55.04 3hpx s GLN 210 Cb -0.18 -4.17 -0.06 0.00 0.00 0.00 0.00 33.01 28.59 3hpx s GLN 210 CO 0.19 -1.89 0.69 -1.58 0.00 0.00 0.00 175.29 172.69 3hpx s TRP 211 N 4.77 3.80 0.14 9.60 0.52 -1.26 -2.52 118.94 133.99 3hpx s TRP 211 Ca 0.30 1.42 0.09 0.00 0.02 0.00 0.00 56.10 57.92 3hpx s TRP 211 Cb -0.12 -2.68 -0.04 0.00 -1.15 0.00 0.00 33.47 29.48 3hpx s TRP 211 CO 0.14 0.44 -0.20 1.03 0.02 0.00 0.00 176.95 178.39 3hpx s ARG 212 N -0.68 1.24 0.08 4.98 0.52 -0.04 -4.97 118.95 120.10 3hpx s ARG 212 Ca 0.34 -1.33 0.09 0.00 -0.52 0.00 0.00 55.73 54.31 3hpx s ARG 212 Cb -0.21 -1.41 -0.04 0.00 0.52 0.00 0.00 34.95 33.82 3hpx s ARG 212 CO 0.22 0.30 -0.23 -0.06 0.02 0.00 0.00 175.30 175.55 3hpx s PHE 213 N -1.67 2.42 -0.02 -0.53 0.40 -1.26 -1.33 117.98 115.98 3hpx s PHE 213 Ca 0.13 -0.34 0.01 0.00 -0.60 0.00 0.00 56.93 56.14 3hpx s PHE 213 Cb -0.08 -1.36 0.01 0.00 0.51 0.00 0.00 43.02 42.11 3hpx s PHE 213 CO 0.06 0.27 -0.05 -2.00 0.70 0.00 0.00 175.22 174.21 3hpx s GLU 214 N -1.72 0.58 -0.05 0.44 2.12 -0.60 -1.73 118.70 117.75 3hpx s GLU 214 Ca 0.14 -0.14 0.05 0.00 0.36 0.00 0.00 54.97 55.38 3hpx s GLU 214 Cb -0.10 -0.60 -0.00 0.00 0.26 0.00 0.00 34.13 33.69 3hpx s GLU 214 CO 0.06 0.02 -0.20 -0.47 -0.54 0.00 0.00 175.26 174.13 3hpx s TYR 215 N 0.37 2.04 -0.12 5.30 5.04 -0.18 -1.30 117.35 128.50 3hpx s TYR 215 Ca -0.04 -0.63 0.02 0.00 -2.44 0.00 0.00 57.07 53.98 3hpx s TYR 215 Cb -0.08 -1.36 0.01 0.00 0.35 0.00 0.00 41.96 40.88 3hpx s TYR 215 CO -0.00 -0.22 -0.18 -1.12 -1.34 0.00 0.00 175.55 172.69 3hpx s SER 216 N 0.03 2.70 -0.78 4.32 0.01 -1.07 -1.20 113.70 117.70 3hpx s SER 216 Ca -0.06 -0.49 -0.26 0.00 1.31 0.00 0.00 55.95 56.45 3hpx s SER 216 Cb -0.13 -1.23 0.01 0.00 0.21 0.00 0.00 66.02 64.89 3hpx s SER 216 CO 0.03 0.05 1.51 -2.16 0.41 0.00 0.00 173.24 173.09 3hpx s PRO 217 N 0.86 3.08 0.51 12.44 0.04 -1.26 -3.00 135.00 147.69 3hpx s PRO 217 Ca -0.08 -0.23 -0.21 0.00 0.04 0.00 0.00 61.00 60.51 3hpx s PRO 217 Cb -0.15 -4.56 -0.06 0.00 0.04 0.00 0.00 34.50 29.77 3hpx s PRO 217 CO -0.01 -2.42 1.20 -2.00 0.04 0.00 0.00 177.00 173.82 3hpx s GLU 218 N 6.01 3.44 -1.41 4.56 -6.30 -0.05 -1.90 118.70 123.05 3hpx s GLU 218 Ca 0.48 1.83 -0.07 0.00 -2.50 0.00 0.00 54.97 54.71 3hpx s GLU 218 Cb -0.07 -2.22 0.01 0.00 0.00 0.00 0.00 34.13 31.84 3hpx s GLU 218 CO 0.10 -0.83 0.99 0.43 0.02 0.00 0.00 175.26 175.97 3hpx n SER 219 N -0.92 -6.28 -0.33 -1.70 7.64 -1.26 -1.38 113.62 109.38 3hpx n SER 219 Ca 0.10 -0.45 0.08 0.00 1.01 0.00 0.00 58.87 59.60 3hpx n SER 219 Cb 0.48 -4.97 0.27 0.00 -1.01 0.00 0.00 64.21 58.98 3hpx n SER 219 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3hpx h TYR 220 N -2.26 1.05 0.00 1.43 3.20 -1.41 -0.58 116.97 118.40 3hpx h TYR 220 Ca -0.55 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.35 3hpx h TYR 220 Cb 1.37 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.30 3hpx h TYR 220 CO 0.50 0.44 0.00 1.79 -1.64 0.00 0.00 178.16 179.25 3hpx h THR 221 N 0.93 0.00 -0.60 1.81 1.35 -1.87 -2.10 112.91 112.44 3hpx h THR 221 Ca 0.47 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 3hpx h THR 221 Cb 0.49 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3hpx h THR 221 CO -0.23 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.65 3hpx n GLY 222 N 0.05 2.25 3.35 5.82 0.00 -0.24 -4.96 105.19 111.47 3hpx n GLY 222 Ca 0.02 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 3hpx n GLY 222 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hpx s THR 223 N -1.57 2.41 0.17 2.61 2.01 -0.79 -1.72 115.64 118.75 3hpx s THR 223 Ca 0.44 -0.95 -0.33 0.00 0.31 0.00 0.00 61.69 61.16 3hpx s THR 223 Cb 0.27 -1.90 -0.13 0.00 0.01 0.00 0.00 72.50 70.75 3hpx s THR 223 CO 0.24 0.58 1.65 -0.62 -0.69 0.00 0.00 174.62 175.78 3hpx n GLU 224 N 2.65 2.40 -0.22 4.92 4.71 -1.26 -4.85 120.64 128.99 3hpx n GLU 224 Ca -0.17 0.87 0.01 0.00 -0.01 0.00 0.00 57.16 57.86 3hpx n GLU 224 Cb 0.52 -2.67 0.12 0.00 -1.01 0.00 0.00 31.44 28.40 3hpx n GLU 224 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 3hpx h LEU 225 N 6.45 0.26 -1.25 -4.62 3.38 -1.97 0.81 115.31 118.38 3hpx h LEU 225 Ca -0.44 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 3hpx h LEU 225 Cb 1.23 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 3hpx h LEU 225 CO 0.92 0.14 0.34 -0.08 0.09 0.00 0.00 178.44 179.85 3hpx h GLU 226 N 0.43 0.86 -0.14 1.13 4.57 -1.99 0.61 114.58 120.04 3hpx h GLU 226 Ca 0.33 -0.09 -0.10 0.00 -1.18 0.00 0.00 59.36 58.32 3hpx h GLU 226 Cb 0.41 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 3hpx h GLU 226 CO -0.32 0.63 -0.29 -0.92 -1.18 0.00 0.00 179.01 176.93 3hpx h TYR 227 N 0.87 0.57 -0.35 0.92 5.03 -1.69 -1.52 116.97 120.79 3hpx h TYR 227 Ca 0.22 -0.21 0.07 0.00 2.58 0.00 0.00 58.73 61.39 3hpx h TYR 227 Cb 0.02 -0.10 -0.06 0.00 1.55 0.00 0.00 36.73 38.14 3hpx h TYR 227 CO 0.01 0.92 -0.07 0.00 -1.32 0.00 0.00 178.16 177.69 3hpx h ALA 228 N 0.54 0.25 -0.95 1.82 0.00 -0.35 -0.90 119.26 119.67 3hpx h ALA 228 Ca 0.00 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3hpx h ALA 228 Cb 0.89 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 3hpx h ALA 228 CO 0.07 -0.45 0.63 -0.22 0.00 0.00 0.00 179.25 179.27 3hpx h LYS 229 N 0.02 1.23 -0.25 0.00 3.64 -0.85 -2.21 116.57 118.14 3hpx h LYS 229 Ca 0.17 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3hpx h LYS 229 Cb 0.25 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3hpx h LYS 229 CO -0.35 0.81 0.13 1.96 -2.27 0.00 0.00 179.45 179.74 3hpx h GLN 230 N 1.26 0.27 -0.29 1.90 4.20 -0.52 0.23 115.11 122.16 3hpx h GLN 230 Ca 0.36 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 59.01 3hpx h GLN 230 Cb -0.10 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 3hpx h GLN 230 CO -0.09 0.18 -0.00 0.28 -0.67 0.00 0.00 178.83 178.52 3hpx h VAL 231 N 0.28 1.26 0.26 -0.54 2.07 -1.07 -1.35 116.25 117.16 3hpx h VAL 231 Ca 0.10 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 3hpx h VAL 231 Cb 0.01 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3hpx h VAL 231 CO -0.06 0.30 -0.13 0.00 0.02 0.00 0.00 177.57 177.71 3hpx h ASP 233 N -0.48 0.22 -0.58 0.00 3.45 -0.54 0.10 116.42 118.59 3hpx h ASP 233 Ca -0.04 0.13 -0.07 0.00 0.43 0.00 0.00 57.03 57.48 3hpx h ASP 233 Cb 0.36 0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 39.23 3hpx h ASP 233 CO 0.06 0.04 0.10 0.00 -1.57 0.00 0.00 179.24 177.88 3hpx h ALA 234 N 1.60 1.02 -0.32 3.45 0.00 -0.79 -0.66 119.26 123.56 3hpx h ALA 234 Ca 0.45 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3hpx h ALA 234 Cb 0.75 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3hpx h ALA 234 CO -0.46 0.63 -0.10 0.28 0.00 0.00 0.00 179.25 179.59 3hpx h VAL 235 N 0.94 1.28 -0.40 0.00 2.07 -0.25 -2.95 116.25 116.95 3hpx h VAL 235 Ca 0.19 -1.17 0.03 0.00 0.82 0.00 0.00 66.70 66.57 3hpx h VAL 235 Cb 0.40 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3hpx h VAL 235 CO 0.01 0.38 0.20 1.23 0.02 0.00 0.00 177.57 179.41 3hpx h GLY 236 N 0.41 0.54 -0.19 2.17 0.00 -0.71 -2.05 103.07 103.25 3hpx h GLY 236 Ca 0.08 -0.14 0.12 0.00 0.00 0.00 0.00 47.33 47.38 3hpx h GLY 236 CO 0.04 0.11 -0.16 1.05 0.00 0.00 0.00 176.54 177.58 3hpx h GLU 237 N 0.41 -0.01 -0.05 4.80 9.09 -0.98 0.37 114.58 128.21 3hpx h GLU 237 Ca 0.17 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.58 3hpx h GLU 237 Cb 0.06 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.16 3hpx h GLU 237 CO -0.11 -0.01 0.01 0.28 0.05 0.00 0.00 179.01 179.23 3hpx h VAL 238 N -0.01 0.98 -0.07 -1.06 2.07 -1.28 -3.08 116.25 113.81 3hpx h VAL 238 Ca 0.28 -0.01 -0.12 0.00 0.82 0.00 0.00 66.70 67.66 3hpx h VAL 238 Cb 0.44 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3hpx h VAL 238 CO -0.61 0.01 -0.51 0.40 0.02 0.00 0.00 177.57 176.88 3hpx h ILE 239 N 0.04 1.36 -5.98 4.57 1.08 -0.89 -3.48 117.51 114.19 3hpx h ILE 239 Ca 0.02 -1.77 -0.38 0.00 -0.39 0.00 0.00 64.86 62.34 3hpx h ILE 239 Cb 0.01 1.87 0.10 0.00 -3.07 0.00 0.00 36.82 35.74 3hpx h ILE 239 CO -0.03 0.52 -0.88 0.00 -0.69 0.00 0.00 178.15 177.08 3hpx n ALA 240 N -2.46 -2.31 -1.13 1.87 0.00 0.13 -4.99 120.51 111.61 3hpx n ALA 240 Ca -0.02 -0.12 -0.29 0.00 0.00 0.00 0.00 53.44 53.01 3hpx n ALA 240 Cb 0.55 -3.60 0.16 0.00 0.00 0.00 0.00 19.45 16.56 3hpx n ALA 240 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hpx s PRO 241 N -5.61 0.77 0.18 0.00 0.04 -1.26 -5.06 135.00 124.06 3hpx s PRO 241 Ca 0.27 0.72 0.00 0.00 0.04 0.00 0.00 61.00 62.04 3hpx s PRO 241 Cb -0.07 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 3hpx s PRO 241 CO 0.81 -2.55 0.05 0.95 0.04 0.00 0.00 177.00 176.31 3hpx s THR 242 N -2.91 0.37 0.48 1.26 -4.23 -0.67 -4.92 115.64 105.03 3hpx s THR 242 Ca 0.65 -1.96 0.18 0.00 -1.18 0.00 0.00 61.69 59.37 3hpx s THR 242 Cb -0.19 -2.24 0.34 0.00 1.34 0.00 0.00 72.50 71.75 3hpx s THR 242 CO 0.58 -0.32 2.02 -0.65 -0.54 0.00 0.00 174.62 175.71 3hpx h PRO 243 N 2.68 0.21 0.00 3.99 0.11 -1.88 -1.34 132.00 135.77 3hpx h PRO 243 Ca -0.36 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.58 3hpx h PRO 243 Cb 1.22 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3hpx h PRO 243 CO 0.60 0.14 -0.95 0.93 -0.21 0.00 0.00 178.00 178.51 3hpx h GLU 244 N 0.21 0.00 -2.18 1.05 3.07 -1.96 -3.37 114.58 111.40 3hpx h GLU 244 Ca 0.21 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.48 3hpx h GLU 244 Cb 0.57 0.00 -0.42 0.00 -0.84 0.00 0.00 28.75 28.06 3hpx h GLU 244 CO -0.04 0.52 -0.64 0.54 -1.40 0.00 0.00 179.01 178.00 3hpx n ARG 245 N -3.13 2.37 -1.29 2.33 3.00 -0.61 -5.11 116.66 114.22 3hpx n ARG 245 Ca -0.03 -4.55 -0.30 0.00 -0.01 0.00 0.00 57.85 52.96 3hpx n ARG 245 Cb 0.82 -2.17 0.11 0.00 0.00 0.00 0.00 32.46 31.23 3hpx n ARG 245 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3hpx s PRO 246 N -2.36 1.74 -0.01 5.56 0.04 -0.60 -1.66 135.00 137.70 3hpx s PRO 246 Ca 0.39 0.90 -0.05 0.00 0.04 0.00 0.00 61.00 62.28 3hpx s PRO 246 Cb 0.15 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.79 3hpx s PRO 246 CO -0.02 -1.92 0.23 -1.50 0.04 0.00 0.00 177.00 173.82 3hpx s ILE 247 N -2.96 5.37 -0.27 0.56 2.07 0.22 -4.64 121.20 121.54 3hpx s ILE 247 Ca 0.62 0.05 -0.19 0.00 -1.41 0.00 0.00 60.65 59.73 3hpx s ILE 247 Cb -0.17 -3.54 -0.02 0.00 0.13 0.00 0.00 42.46 38.85 3hpx s ILE 247 CO 0.56 0.37 0.54 -0.63 -1.91 0.00 0.00 174.94 173.87 3hpx s ILE 248 N -1.29 5.04 -0.34 2.00 1.01 -0.70 0.86 121.20 127.77 3hpx s ILE 248 Ca 0.27 0.87 -0.12 0.00 0.00 0.00 0.00 60.65 61.66 3hpx s ILE 248 Cb -0.13 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 3hpx s ILE 248 CO 0.16 0.02 0.22 -0.36 0.00 0.00 0.00 174.94 174.98 3hpx s PHE 249 N 2.38 3.22 -0.19 3.97 2.99 -0.79 -1.01 117.98 128.55 3hpx s PHE 249 Ca 0.22 -0.43 -0.07 0.00 0.00 0.00 0.00 56.93 56.65 3hpx s PHE 249 Cb -0.15 -2.45 -0.04 0.00 0.00 0.00 0.00 43.02 40.38 3hpx s PHE 249 CO 0.10 -0.44 0.05 1.21 -0.00 0.00 0.00 175.22 176.13 3hpx s ASN 250 N 1.67 5.38 -0.46 1.36 2.47 -0.34 -0.56 114.94 124.46 3hpx s ASN 250 Ca 0.05 -0.02 -0.01 0.00 0.42 0.00 0.00 52.86 53.30 3hpx s ASN 250 Cb -0.18 -1.93 0.12 0.00 -1.45 0.00 0.00 41.25 37.82 3hpx s ASN 250 CO 0.09 0.12 0.24 -0.76 -3.72 0.00 0.00 177.10 173.07 3hpx s LEU 251 N 0.66 5.10 0.07 3.21 1.43 -0.02 -4.01 118.68 125.13 3hpx s LEU 251 Ca 0.02 -2.32 -0.26 0.00 -1.03 0.00 0.00 54.13 50.54 3hpx s LEU 251 Cb -0.13 -1.79 -0.06 0.00 0.03 0.00 0.00 46.19 44.24 3hpx s LEU 251 CO 0.02 -0.45 0.79 -2.16 0.23 0.00 0.00 176.35 174.78 3hpx s PRO 252 N 0.71 4.53 -1.39 1.29 0.04 -1.26 -2.92 135.00 136.00 3hpx s PRO 252 Ca 0.11 1.13 -0.14 0.00 0.04 0.00 0.00 61.00 62.14 3hpx s PRO 252 Cb -0.22 -3.35 0.07 0.00 0.04 0.00 0.00 34.50 31.05 3hpx s PRO 252 CO -0.04 0.33 2.04 0.00 0.04 0.00 0.00 177.00 179.36 3hpx n ALA 253 N 2.59 5.08 -0.25 8.56 0.00 -0.37 -3.45 120.51 132.67 3hpx n ALA 253 Ca -0.02 -3.97 0.05 0.00 0.00 0.00 0.00 53.44 49.50 3hpx n ALA 253 Cb 0.50 -3.43 0.16 0.00 0.00 0.00 0.00 19.45 16.68 3hpx n ALA 253 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3hpx h THR 254 N 4.27 0.40 -3.31 0.00 2.02 -1.93 -2.76 112.91 111.60 3hpx h THR 254 Ca 0.51 -0.05 -0.66 0.00 0.77 0.00 0.00 66.41 66.97 3hpx h THR 254 Cb 0.69 0.24 -0.29 0.00 -1.74 0.00 0.00 68.15 67.06 3hpx h THR 254 CO 1.74 0.03 -0.79 -0.69 0.37 0.00 0.00 175.52 176.17 3hpx s VAL 255 N -6.10 2.81 -0.22 3.16 1.01 -1.26 -4.84 120.40 114.97 3hpx s VAL 255 Ca -0.13 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 60.82 3hpx s VAL 255 Cb 0.22 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 3hpx s VAL 255 CO 0.75 0.53 1.75 -0.70 0.00 0.00 0.00 175.10 177.42 3hpx s GLU 256 N 0.48 3.67 -0.09 2.72 2.12 -1.20 -4.80 118.70 121.60 3hpx s GLU 256 Ca -0.11 1.74 0.09 0.00 0.36 0.00 0.00 54.97 57.06 3hpx s GLU 256 Cb -0.16 -4.11 -0.13 0.00 0.26 0.00 0.00 34.13 29.99 3hpx s GLU 256 CO 0.05 -1.45 0.06 -1.33 -0.54 0.00 0.00 175.26 172.04 3hpx n MET 257 N 7.91 2.10 -0.85 4.30 2.81 -1.26 -4.35 117.12 127.78 3hpx n MET 257 Ca 0.21 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 3hpx n MET 257 Cb 0.45 -1.26 0.00 0.00 -0.71 0.00 0.00 33.22 31.70 3hpx n MET 257 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 3hpx n THR 258 N -2.31 0.00 -1.92 2.03 5.66 -1.26 -4.88 114.28 111.60 3hpx n THR 258 Ca -0.15 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.51 3hpx n THR 258 Cb 0.76 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.58 3hpx n THR 258 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3hpx s THR 259 N -1.92 2.87 0.29 1.09 -4.23 -1.26 -4.89 115.64 107.59 3hpx s THR 259 Ca 0.00 0.49 0.33 0.00 -1.18 0.00 0.00 61.69 61.33 3hpx s THR 259 Cb 0.00 -3.11 0.36 0.00 1.34 0.00 0.00 72.50 71.09 3hpx s THR 259 CO 0.00 -0.17 2.06 1.55 -0.54 0.00 0.00 174.62 177.52 3hpx h PRO 260 N 0.56 0.00 -0.82 3.99 0.13 -1.93 -2.53 132.00 131.41 3hpx h PRO 260 Ca -0.49 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.66 3hpx h PRO 260 Cb 1.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 3hpx h PRO 260 CO 0.54 0.06 0.54 -2.95 -0.23 0.00 0.00 178.00 175.96 3hpx h ASN 261 N 0.00 0.90 -0.12 1.44 -1.07 -1.92 -1.64 115.58 113.18 3hpx h ASN 261 Ca -0.00 -0.02 -0.20 0.00 0.07 0.00 0.00 56.30 56.15 3hpx h ASN 261 Cb 0.40 -0.22 0.01 0.00 -2.07 0.00 0.00 38.32 36.44 3hpx h ASN 261 CO 0.01 0.64 -0.72 0.58 0.07 0.00 0.00 177.43 178.01 3hpx h VAL 262 N 1.06 1.31 -0.52 6.14 2.07 -1.83 -0.67 116.25 123.80 3hpx h VAL 262 Ca 0.31 -1.96 0.11 0.00 0.82 0.00 0.00 66.70 65.98 3hpx h VAL 262 Cb -0.05 2.10 -0.10 0.00 -1.52 0.00 0.00 31.29 31.73 3hpx h VAL 262 CO -0.08 0.61 -0.10 0.22 0.02 0.00 0.00 177.57 178.23 3hpx h TYR 263 N 0.38 -0.23 -0.40 1.57 3.20 -1.49 -1.96 116.97 118.05 3hpx h TYR 263 Ca -0.06 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 3hpx h TYR 263 Cb 1.36 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.79 3hpx h TYR 263 CO 0.10 -0.21 0.11 0.00 -1.64 0.00 0.00 178.16 176.52 3hpx h ALA 264 N 1.51 0.52 -0.75 1.82 0.00 -1.11 -1.22 119.26 120.04 3hpx h ALA 264 Ca 0.26 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.09 3hpx h ALA 264 Cb 0.39 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 3hpx h ALA 264 CO -0.52 0.18 0.39 -0.44 0.00 0.00 0.00 179.25 178.86 3hpx h ASP 265 N 0.50 0.52 -0.49 0.00 3.32 -1.05 0.83 116.42 120.05 3hpx h ASP 265 Ca 0.13 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 3hpx h ASP 265 Cb 0.28 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3hpx h ASP 265 CO -0.00 0.29 0.12 0.77 -1.72 0.00 0.00 179.24 178.69 3hpx h SER 266 N 0.65 0.74 -0.42 6.45 4.64 -0.89 -0.99 113.55 123.72 3hpx h SER 266 Ca 0.37 -0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 3hpx h SER 266 Cb 0.40 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 3hpx h SER 266 CO -0.28 0.78 0.22 0.40 -0.87 0.00 0.00 176.83 177.09 3hpx h ILE 267 N 0.67 1.16 -0.32 0.95 1.08 -0.79 -0.98 117.51 119.28 3hpx h ILE 267 Ca 0.15 -0.42 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 3hpx h ILE 267 Cb 0.33 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 34.74 3hpx h ILE 267 CO 0.00 0.17 0.16 -0.08 -0.69 0.00 0.00 178.15 177.71 3hpx h GLU 268 N 0.54 0.46 -0.34 2.37 4.81 -0.73 0.27 114.58 121.96 3hpx h GLU 268 Ca 0.15 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.37 3hpx h GLU 268 Cb 0.07 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 3hpx h GLU 268 CO -0.02 0.41 -0.00 2.35 -0.73 0.00 0.00 179.01 181.02 3hpx h TRP 269 N 0.39 -0.03 -0.52 0.92 7.01 -0.96 0.15 115.95 122.92 3hpx h TRP 269 Ca 0.11 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.17 3hpx h TRP 269 Cb 0.10 0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.18 3hpx h TRP 269 CO -0.02 -0.06 0.29 0.52 -2.79 0.00 0.00 178.44 176.38 3hpx h MET 270 N 0.09 0.56 -0.61 2.65 2.86 -1.07 0.12 114.93 119.53 3hpx h MET 270 Ca 0.16 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.73 3hpx h MET 270 Cb 0.23 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 3hpx h MET 270 CO -0.28 0.37 0.21 1.03 1.06 0.00 0.00 176.91 179.30 3hpx h SER 271 N 0.58 0.88 -0.52 1.22 0.87 -0.55 0.19 113.55 116.22 3hpx h SER 271 Ca 0.22 -0.19 -0.11 0.00 -1.23 0.00 0.00 61.79 60.47 3hpx h SER 271 Cb 0.07 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 3hpx h SER 271 CO -0.12 0.83 -0.12 -0.09 -0.53 0.00 0.00 176.83 176.81 3hpx h ARG 272 N 0.87 1.01 0.00 2.24 2.43 -0.89 -3.38 114.38 116.65 3hpx h ARG 272 Ca 0.20 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3hpx h ARG 272 Cb 0.26 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3hpx h ARG 272 CO -0.01 1.06 -1.61 0.09 -1.51 0.00 0.00 179.97 177.98 3hpx n ASN 273 N -4.14 1.53 -4.73 -3.80 4.13 0.02 -4.99 115.26 103.28 3hpx n ASN 273 Ca 0.01 -0.06 -0.42 0.00 1.68 0.00 0.00 54.58 55.80 3hpx n ASN 273 Cb 0.41 1.64 -0.01 0.00 -1.54 0.00 0.00 39.78 40.28 3hpx n ASN 273 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3hpx n LEU 274 N -1.97 4.00 -4.76 3.41 4.77 0.66 -4.97 117.00 118.15 3hpx n LEU 274 Ca -0.02 1.20 -0.38 0.00 -0.03 0.00 0.00 56.01 56.78 3hpx n LEU 274 Cb 0.38 -1.54 0.03 0.00 -2.33 0.00 0.00 43.42 39.96 3hpx n LEU 274 CO 0.31 -0.21 0.92 0.00 -1.33 0.00 0.00 177.39 177.08 3hpx s ALA 275 N -0.91 2.81 -1.27 -1.18 0.00 -1.26 -3.79 121.76 116.16 3hpx s ALA 275 Ca 0.57 1.17 -0.02 0.00 0.00 0.00 0.00 51.96 53.68 3hpx s ALA 275 Cb -0.54 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.09 3hpx s ALA 275 CO 0.60 -1.15 0.91 -1.71 0.00 0.00 0.00 175.76 174.41 3hpx n ASN 276 N -0.98 -2.25 -0.09 0.00 5.15 -1.26 -4.86 115.26 110.98 3hpx n ASN 276 Ca 0.10 -0.69 -0.00 0.00 -0.60 0.00 0.00 54.58 53.38 3hpx n ASN 276 Cb 0.47 -4.67 0.27 0.00 -0.53 0.00 0.00 39.78 35.31 3hpx n ASN 276 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 3hpx h ARG 277 N -1.97 0.73 0.00 1.20 9.65 -1.94 -1.50 114.38 120.56 3hpx h ARG 277 Ca -0.60 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.17 3hpx h ARG 277 Cb 1.35 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 3hpx h ARG 277 CO 0.54 0.61 0.00 0.39 2.80 0.00 0.00 179.97 184.31 3hpx n GLU 278 N -4.34 0.68 -0.45 0.20 4.71 -1.26 -1.91 120.64 118.27 3hpx n GLU 278 Ca 0.04 0.02 0.09 0.00 -0.01 0.00 0.00 57.16 57.30 3hpx n GLU 278 Cb 0.17 -1.50 0.30 0.00 -1.01 0.00 0.00 31.44 29.39 3hpx n GLU 278 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 3hpx n SER 279 N -1.09 4.12 -4.38 1.62 7.64 -0.56 -4.15 113.62 116.81 3hpx n SER 279 Ca 0.17 -2.32 -0.33 0.00 1.01 0.00 0.00 58.87 57.41 3hpx n SER 279 Cb 0.13 -0.48 -0.14 0.00 -1.01 0.00 0.00 64.21 62.70 3hpx n SER 279 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hpx s VAL 280 N -1.59 3.08 -0.41 0.44 1.01 -0.80 -0.61 120.40 121.52 3hpx s VAL 280 Ca 0.44 -0.65 -0.17 0.00 0.00 0.00 0.00 61.98 61.59 3hpx s VAL 280 Cb 0.27 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 34.37 3hpx s VAL 280 CO 0.23 0.52 0.46 -0.63 0.00 0.00 0.00 175.10 175.68 3hpx s ILE 281 N 0.34 5.06 -0.29 2.22 1.01 0.25 -4.92 121.20 124.87 3hpx s ILE 281 Ca -0.11 -0.22 -0.27 0.00 0.00 0.00 0.00 60.65 60.05 3hpx s ILE 281 Cb -0.16 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.29 3hpx s ILE 281 CO 0.06 -0.40 0.98 -0.22 0.00 0.00 0.00 174.94 175.36 3hpx s LEU 282 N 2.21 4.02 0.03 2.97 2.96 -1.26 -1.88 118.68 127.73 3hpx s LEU 282 Ca 0.14 1.04 0.07 0.00 -0.22 0.00 0.00 54.13 55.16 3hpx s LEU 282 Cb -0.17 -3.41 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 3hpx s LEU 282 CO 0.14 -0.74 -0.20 -0.55 -1.32 0.00 0.00 176.35 173.68 3hpx s SER 283 N 1.52 3.63 -0.02 3.68 0.15 0.27 0.94 113.70 123.88 3hpx s SER 283 Ca 0.41 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.63 3hpx s SER 283 Cb -0.13 -0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 63.60 3hpx s SER 283 CO 0.12 0.27 -0.03 -0.76 1.20 0.00 0.00 173.24 174.03 3hpx s LEU 284 N -1.29 3.35 -0.42 3.45 1.43 0.23 -0.84 118.68 124.60 3hpx s LEU 284 Ca 0.13 -0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.23 3hpx s LEU 284 Cb -0.10 -1.88 0.18 0.00 0.03 0.00 0.00 46.19 44.42 3hpx s LEU 284 CO 0.04 0.30 0.37 1.57 0.23 0.00 0.00 176.35 178.86 3hpx n HIS 285 N 1.62 -0.74 -3.33 0.29 -0.00 -1.15 -0.66 115.22 111.25 3hpx n HIS 285 Ca -0.16 -3.37 -0.39 0.00 0.46 0.00 0.00 57.72 54.27 3hpx n HIS 285 Cb 0.53 0.15 -0.08 0.00 -0.12 0.00 0.00 29.99 30.47 3hpx n HIS 285 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 3hpx s PRO 286 N -0.18 4.13 0.76 1.57 0.05 -1.26 -1.23 135.00 138.83 3hpx s PRO 286 Ca 0.33 0.24 -0.07 0.00 0.05 0.00 0.00 61.00 61.55 3hpx s PRO 286 Cb 0.06 -3.59 0.10 0.00 0.05 0.00 0.00 34.50 31.13 3hpx s PRO 286 CO -0.18 -0.16 1.07 -1.01 0.05 0.00 0.00 177.00 176.76 3hpx s HIS 287 N 1.71 2.33 -0.19 0.56 3.76 -1.05 -2.12 115.29 120.29 3hpx s HIS 287 Ca 0.20 0.23 0.15 0.00 -0.15 0.00 0.00 55.06 55.49 3hpx s HIS 287 Cb -0.15 -3.33 0.42 0.00 1.11 0.00 0.00 32.58 30.64 3hpx s HIS 287 CO 0.09 -1.72 1.30 -1.71 -0.85 0.00 0.00 174.74 171.85 3hpx n ASN 288 N -3.06 2.70 -0.23 1.40 5.15 -1.12 -4.11 115.26 116.00 3hpx n ASN 288 Ca 0.11 -3.35 0.22 0.00 -0.60 0.00 0.00 54.58 50.96 3hpx n ASN 288 Cb 0.60 -0.52 0.57 0.00 -0.53 0.00 0.00 39.78 39.90 3hpx n ASN 288 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 3hpx h ASP 289 N 0.88 0.29 -0.52 1.20 3.32 -1.88 0.51 116.42 120.22 3hpx h ASP 289 Ca 0.05 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3hpx h ASP 289 Cb 1.26 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3hpx h ASP 289 CO 0.14 0.11 0.00 0.54 -1.72 0.00 0.00 179.24 178.31 3hpx n ARG 290 N -4.45 2.67 -1.24 3.56 1.74 -1.26 -4.96 116.66 112.71 3hpx n ARG 290 Ca 0.19 -2.32 -0.08 0.00 -0.77 0.00 0.00 57.85 54.87 3hpx n ARG 290 Cb 0.79 -1.43 -0.04 0.00 -1.02 0.00 0.00 32.46 30.76 3hpx n ARG 290 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hpx n GLY 291 N 1.15 0.99 0.43 -0.13 0.00 0.18 -4.92 105.19 102.89 3hpx n GLY 291 Ca 0.18 -0.40 0.07 0.00 0.00 0.00 0.00 46.02 45.88 3hpx n GLY 291 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hpx n THR 292 N -2.63 2.11 -0.06 2.61 -2.24 -1.26 -4.81 114.28 107.99 3hpx n THR 292 Ca -0.08 -2.92 -0.08 0.00 -2.27 0.00 0.00 64.05 58.70 3hpx n THR 292 Cb 0.34 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.31 3hpx n THR 292 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hpx h ALA 293 N 0.67 0.21 -0.63 6.98 0.00 -1.87 -1.26 119.26 123.36 3hpx h ALA 293 Ca 0.00 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3hpx h ALA 293 Cb 1.00 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 3hpx h ALA 293 CO 0.00 -0.43 0.36 0.28 0.00 0.00 0.00 179.25 179.46 3hpx h VAL 294 N 0.07 1.00 -0.35 0.00 2.07 -1.90 -1.26 116.25 115.87 3hpx h VAL 294 Ca 0.11 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 3hpx h VAL 294 Cb 0.15 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 3hpx h VAL 294 CO -0.20 0.12 0.09 0.00 0.02 0.00 0.00 177.57 177.60 3hpx h ALA 295 N 1.31 0.45 -0.86 1.67 0.00 -1.87 -0.69 119.26 119.28 3hpx h ALA 295 Ca 0.27 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.08 3hpx h ALA 295 Cb 0.12 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 3hpx h ALA 295 CO -0.15 0.12 0.52 0.00 0.00 0.00 0.00 179.25 179.74 3hpx h ALA 296 N 0.93 1.21 -0.36 0.00 0.00 -1.04 -0.54 119.26 119.46 3hpx h ALA 296 Ca 0.11 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3hpx h ALA 296 Cb 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hpx h ALA 296 CO 0.00 0.21 0.07 0.00 0.00 0.00 0.00 179.25 179.54 3hpx h ALA 297 N 1.44 0.48 -0.14 0.00 0.00 -1.04 0.51 119.26 120.52 3hpx h ALA 297 Ca 0.39 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 3hpx h ALA 297 Cb 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hpx h ALA 297 CO -0.21 0.17 -0.33 0.93 0.00 0.00 0.00 179.25 179.82 3hpx h GLU 298 N 0.44 0.46 -0.37 0.00 5.08 -0.70 0.92 114.58 120.41 3hpx h GLU 298 Ca 0.11 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 3hpx h GLU 298 Cb 0.34 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3hpx h GLU 298 CO 0.00 0.93 0.08 -0.07 -1.00 0.00 0.00 179.01 178.95 3hpx h LEU 299 N 0.07 0.57 -1.16 1.33 3.38 -1.19 -2.49 115.31 115.83 3hpx h LEU 299 Ca -0.00 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 3hpx h LEU 299 Cb 0.93 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3hpx h LEU 299 CO 0.07 0.67 0.17 1.23 0.09 0.00 0.00 178.44 180.67 3hpx h GLY 300 N 0.45 0.82 0.84 0.83 0.00 -0.85 -0.69 103.07 104.47 3hpx h GLY 300 Ca 0.11 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 3hpx h GLY 300 CO 0.00 0.41 -0.06 -2.75 0.00 0.00 0.00 176.54 174.14 3hpx h PHE 301 N 0.75 0.52 -0.51 5.60 -0.00 -0.75 -2.81 116.94 119.74 3hpx h PHE 301 Ca 0.17 -0.11 0.04 0.00 -0.00 0.00 0.00 57.97 58.07 3hpx h PHE 301 Cb 0.21 -0.13 -0.03 0.00 -0.00 0.00 0.00 35.95 36.00 3hpx h PHE 301 CO 0.01 0.69 0.34 0.00 -0.00 0.00 0.00 178.31 179.35 3hpx h ALA 302 N 0.76 1.78 0.00 2.41 0.00 -0.97 -1.68 119.26 121.56 3hpx h ALA 302 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hpx h ALA 302 Cb 0.52 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hpx h ALA 302 CO 0.02 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.44 3hpx n ALA 303 N -2.48 1.50 0.00 0.00 0.00 -0.31 -4.49 120.51 114.73 3hpx n ALA 303 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3hpx n ALA 303 Cb 0.16 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3hpx n ALA 303 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hpx n GLY 304 N -0.58 1.11 3.69 0.00 0.00 -0.63 -3.99 105.19 104.79 3hpx n GLY 304 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3hpx n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hpx s ALA 305 N -2.00 1.66 -0.04 4.61 0.00 -1.10 -4.87 121.76 120.02 3hpx s ALA 305 Ca 0.00 0.71 0.10 0.00 0.00 0.00 0.00 51.96 52.77 3hpx s ALA 305 Cb 0.00 -3.47 -0.15 0.00 0.00 0.00 0.00 23.12 19.50 3hpx s ALA 305 CO 0.00 -2.53 0.22 -0.25 0.00 0.00 0.00 175.76 173.20 3hpx n ASP 306 N -3.78 2.65 -3.79 0.00 8.00 0.27 -4.84 116.55 115.06 3hpx n ASP 306 Ca 0.13 -0.04 -0.13 0.00 0.71 0.00 0.00 54.79 55.46 3hpx n ASP 306 Cb 0.51 1.41 -0.10 0.00 -0.02 0.00 0.00 41.12 42.93 3hpx n ASP 306 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3hpx s ARG 307 N -2.62 0.46 -0.08 -1.24 3.52 -0.49 -2.59 118.95 115.91 3hpx s ARG 307 Ca -0.03 0.07 0.01 0.00 -0.13 0.00 0.00 55.73 55.64 3hpx s ARG 307 Cb 0.06 0.21 0.02 0.00 -1.56 0.00 0.00 34.95 33.68 3hpx s ARG 307 CO 0.40 -0.10 -0.09 0.42 -0.81 0.00 0.00 175.30 175.13 3hpx s ILE 308 N -0.59 0.96 -0.21 4.11 1.01 -0.52 -0.60 121.20 125.36 3hpx s ILE 308 Ca -0.07 -0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.11 3hpx s ILE 308 Cb -0.04 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 3hpx s ILE 308 CO 0.02 0.33 0.37 -1.61 0.00 0.00 0.00 174.94 174.05 3hpx s GLU 309 N 1.15 4.15 0.14 2.79 2.02 0.16 -0.93 118.70 128.17 3hpx s GLU 309 Ca -0.06 0.14 -0.04 0.00 0.02 0.00 0.00 54.97 55.03 3hpx s GLU 309 Cb -0.14 -3.55 0.01 0.00 0.10 0.00 0.00 34.13 30.56 3hpx s GLU 309 CO -0.02 -0.05 0.25 0.41 0.02 0.00 0.00 175.26 175.88 3hpx n GLY 310 N 4.02 2.06 3.20 -1.39 0.00 -0.90 -4.32 105.19 107.85 3hpx n GLY 310 Ca -0.09 -1.24 -0.16 0.00 0.00 0.00 0.00 46.02 44.53 3hpx n GLY 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hpx s LEU 312 N -2.35 4.38 -1.46 0.00 1.43 -1.26 -0.70 118.68 118.71 3hpx s LEU 312 Ca 0.05 2.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 3hpx s LEU 312 Cb -0.05 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.59 3hpx s LEU 312 CO 0.01 -0.92 0.00 0.49 0.23 0.00 0.00 176.35 176.17 3hpx n PHE 313 N 4.62 -0.70 -2.83 0.29 3.72 -1.26 -3.77 117.46 117.53 3hpx n PHE 313 Ca 0.16 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.34 3hpx n PHE 313 Cb 0.38 -2.93 0.02 0.00 -0.94 0.00 0.00 39.48 36.01 3hpx n PHE 313 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hpx n GLY 314 N -0.52 -0.52 3.76 1.37 0.00 -0.95 -4.93 105.19 103.40 3hpx n GLY 314 Ca -0.16 0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 3hpx n GLY 314 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hpx s ASN 315 N -2.51 5.82 0.00 1.61 2.47 -1.25 -2.26 114.94 118.82 3hpx s ASN 315 Ca 0.21 2.67 0.00 0.00 0.42 0.00 0.00 52.86 56.16 3hpx s ASN 315 Cb -0.09 -2.63 0.00 0.00 -1.45 0.00 0.00 41.25 37.07 3hpx s ASN 315 CO 0.26 -1.19 0.00 0.61 -3.72 0.00 0.00 177.10 173.06 3hpx n GLY 316 N 0.63 2.36 3.74 1.21 0.00 -1.26 -3.08 105.19 108.79 3hpx n GLY 316 Ca 0.07 -1.18 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 3hpx n GLY 316 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hpx s GLU 317 N -2.02 2.86 4.84 1.61 2.02 -1.26 -3.25 118.70 123.51 3hpx s GLU 317 Ca 0.00 2.09 0.00 0.00 0.02 0.00 0.00 54.97 57.08 3hpx s GLU 317 Cb 0.00 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.21 3hpx s GLU 317 CO 0.00 -1.36 0.00 0.54 0.02 0.00 0.00 175.26 174.46 3hpx n ARG 318 N -1.50 0.00 0.04 1.61 1.74 -1.26 -0.71 116.66 116.58 3hpx n ARG 318 Ca 0.13 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.35 3hpx n ARG 318 Cb 0.47 0.00 0.47 0.00 -1.02 0.00 0.00 32.46 32.38 3hpx n ARG 318 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3hpx n THR 319 N 0.00 0.22 0.00 0.55 -2.24 -1.26 -5.02 114.28 106.53 3hpx n THR 319 Ca 0.00 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3hpx n THR 319 Cb 0.00 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 3hpx n THR 319 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hpx n GLY 320 N 1.43 -3.58 3.94 3.38 0.00 0.11 -4.59 105.19 105.88 3hpx n GLY 320 Ca 0.06 -2.15 -0.24 0.00 0.00 0.00 0.00 46.02 43.69 3hpx n GLY 320 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hpx s ASN 321 N -0.03 5.76 0.33 1.61 0.01 -0.96 -2.79 114.94 118.87 3hpx s ASN 321 Ca 0.00 0.39 -0.29 0.00 -0.71 0.00 0.00 52.86 52.25 3hpx s ASN 321 Cb 0.00 -1.57 -0.12 0.00 0.41 0.00 0.00 41.25 39.98 3hpx s ASN 321 CO 0.00 -0.80 1.52 0.55 -1.51 0.00 0.00 177.10 176.86 3hpx n VAL 322 N -2.22 1.48 -2.63 1.60 3.14 -0.90 -4.31 118.33 114.50 3hpx n VAL 322 Ca 0.02 -0.37 -0.43 0.00 -2.96 0.00 0.00 64.34 60.61 3hpx n VAL 322 Cb 0.58 -1.91 -0.02 0.00 -1.06 0.00 0.00 33.84 31.42 3hpx n VAL 322 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3hpx h LEU 324 N 9.09 0.00 0.01 0.00 3.38 -1.26 -2.02 115.31 124.52 3hpx h LEU 324 Ca -0.23 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3hpx h LEU 324 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3hpx h LEU 324 CO 0.95 0.27 -0.01 0.58 0.09 0.00 0.00 178.44 180.32 3hpx h VAL 325 N 0.00 1.50 -0.08 1.22 2.07 -1.91 0.08 116.25 119.12 3hpx h VAL 325 Ca -0.00 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.90 3hpx h VAL 325 Cb 0.63 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 3hpx h VAL 325 CO 0.04 0.41 0.05 0.74 0.02 0.00 0.00 177.57 178.83 3hpx h THR 326 N -0.72 1.01 -0.36 2.57 2.02 -1.83 0.24 112.91 115.84 3hpx h THR 326 Ca -0.00 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.16 3hpx h THR 326 Cb 0.69 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 3hpx h THR 326 CO 0.00 0.02 0.20 -0.07 0.37 0.00 0.00 175.52 176.04 3hpx h LEU 327 N 0.10 0.31 -0.31 2.58 3.38 -1.42 -0.45 115.31 119.51 3hpx h LEU 327 Ca 0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hpx h LEU 327 Cb -0.01 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3hpx h LEU 327 CO -0.01 0.23 0.20 1.23 0.09 0.00 0.00 178.44 180.18 3hpx h GLY 328 N 0.41 0.43 1.95 0.83 0.00 -0.75 -2.94 103.07 103.01 3hpx h GLY 328 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3hpx h GLY 328 CO -0.08 0.16 -0.04 1.41 0.00 0.00 0.00 176.54 177.99 3hpx h LEU 329 N 0.41 0.00 -1.07 3.11 3.38 -0.90 -2.40 115.31 117.85 3hpx h LEU 329 Ca 0.11 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3hpx h LEU 329 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3hpx h LEU 329 CO -0.02 0.00 -0.35 0.78 0.09 0.00 0.00 178.44 178.94 3hpx h ASN 330 N 0.00 0.00 0.07 -0.43 2.35 -0.96 -1.99 115.58 114.62 3hpx h ASN 330 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3hpx h ASN 330 Cb 0.84 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.21 3hpx h ASN 330 CO 0.00 0.35 -0.03 -0.07 -1.65 0.00 0.00 177.43 176.03 3hpx h LEU 331 N 0.00 -0.08 -0.79 1.61 3.38 -1.27 -3.35 115.31 114.81 3hpx h LEU 331 Ca -0.00 -0.53 0.14 0.00 0.09 0.00 0.00 57.88 57.57 3hpx h LEU 331 Cb 0.82 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.50 3hpx h LEU 331 CO 0.05 0.57 0.36 0.15 0.09 0.00 0.00 178.44 179.65 3hpx h PHE 332 N -0.82 0.62 0.00 1.13 3.57 -0.81 0.12 116.94 120.75 3hpx h PHE 332 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3hpx h PHE 332 Cb 0.61 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.20 3hpx h PHE 332 CO 0.13 0.12 0.00 -1.13 -2.23 0.00 0.00 178.31 175.20 3hpx n SER 333 N -4.94 0.00 -0.18 0.41 3.41 -0.75 -1.70 113.62 109.86 3hpx n SER 333 Ca 0.15 0.25 0.09 0.00 -0.26 0.00 0.00 58.87 59.10 3hpx n SER 333 Cb 0.42 -0.40 0.14 0.00 -0.26 0.00 0.00 64.21 64.11 3hpx n SER 333 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hpx n ARG 334 N -1.40 1.69 -0.82 4.33 5.12 -0.94 -4.99 116.66 119.64 3hpx n ARG 334 Ca 0.08 -2.51 0.00 0.00 -1.93 0.00 0.00 57.85 53.49 3hpx n ARG 334 Cb 0.23 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 3hpx n ARG 334 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hpx n GLY 335 N -1.20 0.52 3.42 -0.13 0.00 -0.69 -5.05 105.19 102.07 3hpx n GLY 335 Ca 0.15 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 3hpx n GLY 335 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hpx s VAL 336 N -2.00 3.79 -0.07 1.61 1.01 0.39 -4.98 120.40 120.15 3hpx s VAL 336 Ca 0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 3hpx s VAL 336 Cb 0.00 -2.70 -0.06 0.00 0.00 0.00 0.00 36.38 33.61 3hpx s VAL 336 CO 0.00 0.44 1.91 -0.62 0.00 0.00 0.00 175.10 176.83 3hpx s ASP 337 N 0.98 6.27 0.00 3.32 2.15 -1.26 -1.56 116.67 126.56 3hpx s ASP 337 Ca 0.01 2.27 0.22 0.00 0.43 0.00 0.00 52.55 55.47 3hpx s ASP 337 Cb -0.14 -2.53 0.93 0.00 -0.30 0.00 0.00 42.92 40.88 3hpx s ASP 337 CO 0.01 -1.25 1.70 -0.81 -0.17 0.00 0.00 175.17 174.65 3hpx n PRO 338 N 7.75 0.00 -1.78 4.34 -0.04 -1.26 -4.05 135.00 139.96 3hpx n PRO 338 Ca 0.21 0.12 -0.12 0.00 -0.04 0.00 0.00 63.50 63.68 3hpx n PRO 338 Cb 0.43 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.36 3hpx n PRO 338 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3hpx n GLN 339 N -1.50 -0.87 -4.09 0.54 6.02 -1.26 -4.86 117.38 111.36 3hpx n GLN 339 Ca 0.05 0.74 -0.16 0.00 -0.01 0.00 0.00 57.00 57.62 3hpx n GLN 339 Cb 0.25 -4.81 -0.15 0.00 1.02 0.00 0.00 30.24 26.56 3hpx n GLN 339 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3hpx s ILE 340 N -2.51 0.33 -0.70 5.09 -1.09 -1.26 -4.78 121.20 116.29 3hpx s ILE 340 Ca 0.00 -0.15 -0.27 0.00 -2.23 0.00 0.00 60.65 58.00 3hpx s ILE 340 Cb 0.00 -0.31 0.03 0.00 -1.58 0.00 0.00 42.46 40.60 3hpx s ILE 340 CO 0.00 0.11 1.29 -0.62 -1.23 0.00 0.00 174.94 174.49 3hpx s ASP 341 N 0.11 6.18 -0.22 3.58 2.15 -0.33 -4.85 116.67 123.29 3hpx s ASP 341 Ca -0.01 -0.28 0.15 0.00 0.43 0.00 0.00 52.55 52.84 3hpx s ASP 341 Cb -0.04 -2.56 0.60 0.00 -0.30 0.00 0.00 42.92 40.62 3hpx s ASP 341 CO -0.00 -1.79 1.52 0.49 -0.17 0.00 0.00 175.17 175.22 3hpx n PHE 342 N 9.35 1.32 0.55 -5.34 3.01 -1.26 -4.72 117.46 120.36 3hpx n PHE 342 Ca 0.05 -0.98 0.13 0.00 1.01 0.00 0.00 57.45 57.66 3hpx n PHE 342 Cb 0.49 -0.41 0.44 0.00 -0.01 0.00 0.00 39.48 39.99 3hpx n PHE 342 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3hpx n SER 343 N -0.38 0.73 -3.69 4.37 3.41 -1.26 -3.78 113.62 113.02 3hpx n SER 343 Ca 0.26 0.61 -0.28 0.00 -0.26 0.00 0.00 58.87 59.20 3hpx n SER 343 Cb 1.02 -0.79 -0.11 0.00 -0.26 0.00 0.00 64.21 64.07 3hpx n SER 343 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hpx s ASN 344 N -4.37 3.41 0.33 4.04 3.84 -1.24 -1.81 114.94 119.14 3hpx s ASN 344 Ca 0.08 -3.52 0.14 0.00 0.21 0.00 0.00 52.86 49.77 3hpx s ASN 344 Cb 0.11 -1.13 0.54 0.00 -0.55 0.00 0.00 41.25 40.22 3hpx s ASN 344 CO 0.52 -0.12 1.70 -0.29 -2.79 0.00 0.00 177.10 176.11 3hpx h ILE 345 N 4.50 1.20 -0.28 -5.21 2.10 -1.12 -2.15 117.51 116.56 3hpx h ILE 345 Ca 0.19 -1.76 0.02 0.00 1.08 0.00 0.00 64.86 64.40 3hpx h ILE 345 Cb 0.82 1.99 -0.02 0.00 -1.09 0.00 0.00 36.82 38.51 3hpx h ILE 345 CO 0.57 0.48 0.12 -0.78 -1.08 0.00 0.00 178.15 177.46 3hpx h ASP 346 N 0.00 0.17 -0.45 2.19 -0.00 -1.90 0.66 116.42 117.09 3hpx h ASP 346 Ca -0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 57.03 57.03 3hpx h ASP 346 Cb 0.95 -0.01 -0.02 0.00 -0.00 0.00 0.00 39.33 40.24 3hpx h ASP 346 CO 0.06 0.13 0.24 -0.08 -0.00 0.00 0.00 179.24 179.60 3hpx h GLU 347 N 0.26 0.63 0.04 0.28 4.81 -1.83 0.11 114.58 118.88 3hpx h GLU 347 Ca 0.12 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3hpx h GLU 347 Cb 0.05 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 3hpx h GLU 347 CO -0.09 0.51 -0.29 0.82 -0.73 0.00 0.00 179.01 179.23 3hpx h ILE 348 N 0.58 0.37 -0.30 2.32 2.04 -1.09 -2.44 117.51 119.00 3hpx h ILE 348 Ca 0.16 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.07 3hpx h ILE 348 Cb 0.07 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 3hpx h ILE 348 CO -0.02 0.00 0.01 -0.09 0.00 0.00 0.00 178.15 178.05 3hpx h ARG 349 N -0.46 0.10 -0.17 2.37 2.43 0.56 -1.30 114.38 117.92 3hpx h ARG 349 Ca 0.05 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 3hpx h ARG 349 Cb 0.52 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 3hpx h ARG 349 CO -0.22 0.07 -0.02 0.00 -1.51 0.00 0.00 179.97 178.30 3hpx h ARG 350 N 0.10 0.03 -0.44 0.20 3.08 -0.68 -1.64 114.38 115.04 3hpx h ARG 350 Ca 0.15 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.22 3hpx h ARG 350 Cb 0.19 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3hpx h ARG 350 CO -0.24 0.02 0.23 1.15 -1.07 0.00 0.00 179.97 180.07 3hpx h THR 351 N 0.03 0.99 0.04 2.04 2.02 -1.23 0.11 112.91 116.91 3hpx h THR 351 Ca 0.08 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.11 3hpx h THR 351 Cb 0.10 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 3hpx h THR 351 CO -0.14 0.08 -0.07 0.58 0.37 0.00 0.00 175.52 176.34 3hpx h VAL 352 N 0.46 0.83 -0.77 3.16 2.07 -0.97 0.11 116.25 121.15 3hpx h VAL 352 Ca 0.18 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 3hpx h VAL 352 Cb 0.07 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 3hpx h VAL 352 CO -0.12 0.00 0.40 -0.33 0.02 0.00 0.00 177.57 177.54 3hpx h GLU 353 N -0.14 1.09 -0.29 1.57 5.08 -1.23 0.24 114.58 120.89 3hpx h GLU 353 Ca 0.01 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3hpx h GLU 353 Cb 0.15 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3hpx h GLU 353 CO -0.04 0.81 0.14 -0.92 -1.00 0.00 0.00 179.01 178.00 3hpx h TYR 354 N 1.09 0.43 -0.35 4.33 3.20 -0.61 -0.93 116.97 124.12 3hpx h TYR 354 Ca 0.27 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.00 3hpx h TYR 354 Cb 0.06 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 3hpx h TYR 354 CO 0.01 0.40 -0.23 0.00 -1.64 0.00 0.00 178.16 176.70 3hpx n ASN 356 N -4.25 0.64 -3.78 0.00 3.02 0.80 -4.63 115.26 107.05 3hpx n ASN 356 Ca -0.02 0.19 -0.26 0.00 -0.03 0.00 0.00 54.58 54.46 3hpx n ASN 356 Cb 0.44 0.80 0.04 0.00 -0.61 0.00 0.00 39.78 40.44 3hpx n ASN 356 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hpx n GLN 357 N -2.48 -5.51 -3.68 3.52 1.13 -0.35 -4.75 117.38 105.25 3hpx n GLN 357 Ca -0.00 0.63 -0.11 0.00 -1.94 0.00 0.00 57.00 55.58 3hpx n GLN 357 Cb 0.54 -5.40 -0.09 0.00 0.11 0.00 0.00 30.24 25.39 3hpx n GLN 357 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3hpx s LEU 358 N -7.00 -0.27 0.45 1.08 1.43 -1.25 -4.89 118.68 108.24 3hpx s LEU 358 Ca 0.36 1.12 -0.21 0.00 -1.03 0.00 0.00 54.13 54.37 3hpx s LEU 358 Cb -0.18 1.82 -0.10 0.00 0.03 0.00 0.00 46.19 47.76 3hpx s LEU 358 CO 0.81 -0.20 1.00 -2.16 0.23 0.00 0.00 176.35 176.03 3hpx s PRO 359 N 0.92 4.06 -0.10 1.29 0.04 -1.26 -4.42 135.00 135.53 3hpx s PRO 359 Ca -0.05 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 3hpx s PRO 359 Cb -0.05 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 3hpx s PRO 359 CO -0.08 -0.20 1.08 0.08 0.04 0.00 0.00 177.00 177.92 3hpx s VAL 360 N -2.01 4.59 0.56 -0.36 1.01 -1.26 -5.02 120.40 117.90 3hpx s VAL 360 Ca 0.63 1.88 -0.21 0.00 0.00 0.00 0.00 61.98 64.28 3hpx s VAL 360 Cb -0.14 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 3hpx s VAL 360 CO 0.18 -0.01 1.29 -2.28 0.00 0.00 0.00 175.10 174.28 3hpx s HIS 361 N 2.17 2.34 0.48 5.22 2.46 -1.26 -4.76 115.29 121.94 3hpx s HIS 361 Ca 0.51 1.44 0.29 0.00 0.47 0.00 0.00 55.06 57.77 3hpx s HIS 361 Cb -0.20 -3.67 1.37 0.00 -0.13 0.00 0.00 32.58 29.95 3hpx s HIS 361 CO 0.19 -2.60 1.77 0.93 -2.47 0.00 0.00 174.74 172.55 3hpx h GLU 362 N 1.25 0.16 -0.37 2.88 3.07 -1.95 -1.57 114.58 118.05 3hpx h GLU 362 Ca -0.51 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.34 3hpx h GLU 362 Cb 1.30 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 3hpx h GLU 362 CO 0.56 0.10 0.00 0.54 -1.40 0.00 0.00 179.01 178.82 3hpx n ARG 363 N -4.40 2.85 -1.74 2.33 1.74 -1.26 -1.78 116.66 114.40 3hpx n ARG 363 Ca 0.27 -2.09 -0.42 0.00 -0.77 0.00 0.00 57.85 54.85 3hpx n ARG 363 Cb 1.15 -1.29 -0.03 0.00 -1.02 0.00 0.00 32.46 31.27 3hpx n ARG 363 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3hpx s HIS 364 N -1.00 2.53 0.20 -1.55 2.46 -0.59 -4.83 115.29 112.52 3hpx s HIS 364 Ca 0.25 0.18 -0.31 0.00 0.47 0.00 0.00 55.06 55.65 3hpx s HIS 364 Cb 0.13 -4.14 -0.15 0.00 -0.13 0.00 0.00 32.58 28.29 3hpx s HIS 364 CO 0.17 -4.51 1.11 -2.30 -2.47 0.00 0.00 174.74 166.74 3hpx n PRO 365 N 4.85 1.20 0.00 2.88 -0.02 -1.26 -0.68 135.00 141.98 3hpx n PRO 365 Ca 0.17 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3hpx n PRO 365 Cb 0.37 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3hpx n PRO 365 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hpx n TYR 366 N 1.14 0.00 0.06 6.00 4.01 -1.26 -4.40 117.16 122.71 3hpx n TYR 366 Ca 0.14 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.92 3hpx n TYR 366 Cb 0.27 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.23 3hpx n TYR 366 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hpx n GLY 367 N 0.00 -0.32 3.73 2.72 0.00 -1.16 -4.99 105.19 105.16 3hpx n GLY 367 Ca 0.00 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 3hpx n GLY 367 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hpx n GLY 368 N 1.86 0.56 0.33 -0.02 0.00 0.15 -4.90 105.19 103.16 3hpx n GLY 368 Ca -0.01 -0.15 0.18 0.00 0.00 0.00 0.00 46.02 46.04 3hpx n GLY 368 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hpx h ASP 369 N 0.55 0.36 -0.14 1.61 3.32 -1.63 -2.76 116.42 117.74 3hpx h ASP 369 Ca -0.51 0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3hpx h ASP 369 Cb 1.34 0.16 0.00 0.00 0.22 0.00 0.00 39.33 41.05 3hpx h ASP 369 CO 0.53 -0.08 0.00 0.18 -1.72 0.00 0.00 179.24 178.15 3hpx n LEU 370 N -5.08 3.09 0.19 1.55 4.77 -0.73 -4.62 117.00 116.17 3hpx n LEU 370 Ca 0.26 -1.13 0.14 0.00 -0.03 0.00 0.00 56.01 55.25 3hpx n LEU 370 Cb 0.81 -0.08 0.43 0.00 -2.33 0.00 0.00 43.42 42.25 3hpx n LEU 370 CO 0.10 0.57 0.89 -0.37 -1.33 0.00 0.00 177.39 177.24 3hpx h VAL 371 N 4.55 0.00 -0.56 4.08 -1.51 -1.62 -2.70 116.25 118.48 3hpx h VAL 371 Ca 0.00 -0.60 -0.35 0.00 -1.23 0.00 0.00 66.70 64.52 3hpx h VAL 371 Cb 0.98 1.54 -0.21 0.00 -2.13 0.00 0.00 31.29 31.47 3hpx h VAL 371 CO 0.00 0.00 -0.07 -1.22 -1.23 0.00 0.00 177.57 175.05 3hpx n TYR 372 N -2.73 1.85 -4.21 5.19 4.02 -1.26 -4.99 117.16 115.03 3hpx n TYR 372 Ca 0.03 -1.97 -0.31 0.00 -0.01 0.00 0.00 57.90 55.64 3hpx n TYR 372 Cb 0.39 -0.63 -0.08 0.00 -0.02 0.00 0.00 39.34 39.00 3hpx n TYR 372 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3hpx s THR 373 N -3.77 4.01 -0.13 -0.72 -4.23 -1.02 -1.02 115.64 108.75 3hpx s THR 373 Ca 0.50 -0.86 -0.00 0.00 -1.18 0.00 0.00 61.69 60.15 3hpx s THR 373 Cb 0.43 -2.86 0.03 0.00 1.34 0.00 0.00 72.50 71.44 3hpx s THR 373 CO 0.01 0.22 -0.09 0.00 -0.54 0.00 0.00 174.62 174.22 3hpx s ALA 374 N -1.21 1.54 -0.04 3.99 0.00 -0.29 -4.93 121.76 120.82 3hpx s ALA 374 Ca 0.23 -0.72 0.12 0.00 0.00 0.00 0.00 51.96 51.59 3hpx s ALA 374 Cb -0.12 -1.00 -0.23 0.00 0.00 0.00 0.00 23.12 21.77 3hpx s ALA 374 CO 0.15 -0.47 0.67 1.19 0.00 0.00 0.00 175.76 177.29 3hpx n PHE 375 N 4.87 1.02 -2.28 0.00 3.01 -1.26 -1.13 117.46 121.69 3hpx n PHE 375 Ca -0.14 0.37 -0.42 0.00 1.01 0.00 0.00 57.45 58.27 3hpx n PHE 375 Cb 0.50 -1.19 -0.03 0.00 -0.01 0.00 0.00 39.48 38.75 3hpx n PHE 375 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3hpx s SER 376 N -6.12 6.92 0.19 4.37 0.15 -1.26 -4.87 113.70 113.09 3hpx s SER 376 Ca -0.05 2.13 -0.12 0.00 0.70 0.00 0.00 55.95 58.61 3hpx s SER 376 Cb 0.08 -2.57 0.22 0.00 -1.71 0.00 0.00 66.02 62.04 3hpx s SER 376 CO 0.82 -0.62 1.72 1.23 1.20 0.00 0.00 173.24 177.59 3hpx h GLY 377 N 7.42 0.66 1.02 9.45 0.00 -1.94 -0.47 103.07 119.21 3hpx h GLY 377 Ca -0.40 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 3hpx h GLY 377 CO 0.86 -0.08 0.57 1.76 0.00 0.00 0.00 176.54 179.66 3hpx h SER 378 N 0.25 1.12 -0.26 0.19 0.02 -1.99 -0.78 113.55 112.10 3hpx h SER 378 Ca 0.27 -0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 61.05 3hpx h SER 378 Cb 0.37 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 3hpx h SER 378 CO -0.34 0.85 -0.23 0.45 -1.14 0.00 0.00 176.83 176.42 3hpx h HIS 379 N 1.29 0.74 -0.38 3.45 -0.00 -1.89 -0.66 115.15 117.70 3hpx h HIS 379 Ca 0.34 -0.21 0.04 0.00 -0.00 0.00 0.00 60.37 60.54 3hpx h HIS 379 Cb -0.07 -0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.15 3hpx h HIS 379 CO 0.00 0.92 0.14 1.96 -0.00 0.00 0.00 177.93 180.96 3hpx h GLN 380 N 0.34 0.30 -0.03 2.45 4.20 -0.89 -0.27 115.11 121.20 3hpx h GLN 380 Ca 0.04 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.77 3hpx h GLN 380 Cb 0.79 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.46 3hpx h GLN 380 CO 0.06 0.20 -0.19 0.22 -0.67 0.00 0.00 178.83 178.44 3hpx h ASP 381 N 0.30 -0.57 -0.93 1.46 3.58 -1.06 -2.13 116.42 117.08 3hpx h ASP 381 Ca 0.17 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.71 3hpx h ASP 381 Cb 0.14 0.24 -0.05 0.00 1.72 0.00 0.00 39.33 41.39 3hpx h ASP 381 CO -0.17 -0.25 0.59 0.00 -2.88 0.00 0.00 179.24 176.53 3hpx h ALA 382 N 0.64 1.19 -0.18 -0.78 0.00 -0.82 -1.60 119.26 117.71 3hpx h ALA 382 Ca 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hpx h ALA 382 Cb 0.38 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3hpx h ALA 382 CO -0.20 0.62 0.06 0.82 0.00 0.00 0.00 179.25 180.55 3hpx h ILE 383 N 1.28 1.18 -0.67 0.00 2.04 -1.01 -1.34 117.51 118.99 3hpx h ILE 383 Ca 0.34 -0.54 0.07 0.00 1.00 0.00 0.00 64.86 65.73 3hpx h ILE 383 Cb -0.10 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 3hpx h ILE 383 CO -0.07 0.17 0.35 0.78 0.00 0.00 0.00 178.15 179.38 3hpx h ASN 384 N 0.12 0.50 -0.51 1.72 2.35 -1.13 0.18 115.58 118.80 3hpx h ASN 384 Ca 0.06 0.04 0.07 0.00 -0.55 0.00 0.00 56.30 55.92 3hpx h ASN 384 Cb 0.21 -0.05 -0.06 0.00 0.05 0.00 0.00 38.32 38.47 3hpx h ASN 384 CO -0.00 0.31 0.19 0.11 -1.65 0.00 0.00 177.43 176.38 3hpx h LYS 385 N 0.64 0.35 0.14 0.81 1.79 -1.17 0.27 116.57 119.40 3hpx h LYS 385 Ca 0.31 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.75 3hpx h LYS 385 Cb 0.25 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 3hpx h LYS 385 CO -0.21 0.23 -0.07 0.78 -1.08 0.00 0.00 179.45 179.10 3hpx h GLY 386 N 0.36 -0.20 0.96 3.86 0.00 -0.55 -0.31 103.07 107.19 3hpx h GLY 386 Ca 0.25 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 3hpx h GLY 386 CO -0.25 -0.07 0.19 1.41 0.00 0.00 0.00 176.54 177.81 3hpx h LEU 387 N -0.31 0.43 -0.83 3.11 3.38 -0.52 -2.03 115.31 118.52 3hpx h LEU 387 Ca -0.02 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3hpx h LEU 387 Cb 0.25 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3hpx h LEU 387 CO 0.03 0.39 0.55 0.44 0.09 0.00 0.00 178.44 179.94 3hpx h ASP 388 N 0.43 0.93 -0.37 -0.43 3.32 -0.42 -2.11 116.42 117.77 3hpx h ASP 388 Ca 0.12 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 3hpx h ASP 388 Cb 0.06 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3hpx h ASP 388 CO -0.02 0.66 -0.04 0.00 -1.72 0.00 0.00 179.24 178.12 3hpx h ALA 389 N 1.32 1.07 -0.43 3.45 0.00 -0.92 -1.15 119.26 122.61 3hpx h ALA 389 Ca 0.32 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3hpx h ALA 389 Cb -0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3hpx h ALA 389 CO -0.08 0.58 0.15 0.52 0.00 0.00 0.00 179.25 180.41 3hpx h MET 390 N 0.72 0.66 -0.47 0.00 2.86 -1.19 -1.93 114.93 115.58 3hpx h MET 390 Ca 0.13 -0.13 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 3hpx h MET 390 Cb 0.50 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 3hpx h MET 390 CO 0.03 0.63 0.26 0.87 1.06 0.00 0.00 176.91 179.76 3hpx h LYS 391 N 0.55 0.51 -0.41 1.72 1.57 -1.20 -0.66 116.57 118.65 3hpx h LYS 391 Ca 0.14 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.96 3hpx h LYS 391 Cb 0.23 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 3hpx h LYS 391 CO -0.01 0.34 0.02 1.37 -0.57 0.00 0.00 179.45 180.60 3hpx h LEU 392 N 0.53 -0.13 -0.76 2.94 -0.00 -1.10 -2.20 115.31 114.60 3hpx h LEU 392 Ca 0.19 0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 58.15 3hpx h LEU 392 Cb 0.04 0.15 -0.04 0.00 -0.00 0.00 0.00 40.66 40.82 3hpx h LEU 392 CO -0.10 -0.03 0.43 0.44 -0.00 0.00 0.00 178.44 179.18 3hpx h ASP 393 N 0.13 0.93 -0.42 0.17 5.19 -1.09 -1.87 116.42 119.45 3hpx h ASP 393 Ca 0.20 -0.08 0.08 0.00 -0.62 0.00 0.00 57.03 56.61 3hpx h ASP 393 Cb 0.28 -0.24 -0.07 0.00 0.18 0.00 0.00 39.33 39.48 3hpx h ASP 393 CO -0.32 0.74 -0.02 0.00 -3.12 0.00 0.00 179.24 176.52 3hpx h ALA 394 N 1.23 0.37 -0.15 3.45 0.00 -0.54 -1.92 119.26 121.70 3hpx h ALA 394 Ca 0.27 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 3hpx h ALA 394 Cb 0.01 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hpx h ALA 394 CO -0.05 -0.40 0.09 -0.44 0.00 0.00 0.00 179.25 178.45 3hpx h ASP 395 N 0.08 0.18 0.00 0.00 3.32 -1.31 0.59 116.42 119.29 3hpx h ASP 395 Ca 0.21 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3hpx h ASP 395 Cb 0.31 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3hpx h ASP 395 CO -0.37 0.17 0.00 0.00 -1.72 0.00 0.00 179.24 177.33 3hpx n ALA 396 N -2.16 2.01 -0.47 3.45 0.00 -0.72 -2.05 120.51 120.58 3hpx n ALA 396 Ca -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3hpx n ALA 396 Cb 0.05 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3hpx n ALA 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hpx n ALA 397 N -0.94 1.30 -3.66 0.00 0.00 -0.76 -5.02 120.51 111.43 3hpx n ALA 397 Ca 0.09 -0.26 -0.25 0.00 0.00 0.00 0.00 53.44 53.02 3hpx n ALA 397 Cb 0.04 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.56 3hpx n ALA 397 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hpx n ASP 398 N -0.01 -6.03 -4.62 0.00 -0.08 -0.14 -4.99 116.55 100.68 3hpx n ASP 398 Ca 0.00 -0.59 -0.25 0.00 -1.51 0.00 0.00 54.79 52.44 3hpx n ASP 398 Cb 0.12 -4.76 -0.09 0.00 2.34 0.00 0.00 41.12 38.73 3hpx n ASP 398 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hpx s ASP 400 N -3.71 6.69 0.34 0.00 3.68 -1.26 -4.49 116.67 117.91 3hpx s ASP 400 Ca 0.35 0.68 0.13 0.00 2.13 0.00 0.00 52.55 55.84 3hpx s ASP 400 Cb 0.02 -2.42 0.99 0.00 -1.45 0.00 0.00 42.92 40.05 3hpx s ASP 400 CO 0.19 -0.66 1.72 0.58 0.13 0.00 0.00 175.17 177.13 3hpx h VAL 401 N 5.63 0.46 0.00 1.11 2.07 -1.90 0.35 116.25 123.97 3hpx h VAL 401 Ca -0.24 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3hpx h VAL 401 Cb 1.09 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3hpx h VAL 401 CO 0.90 0.09 0.00 0.47 0.02 0.00 0.00 177.57 179.05 3hpx n ASP 402 N -4.88 0.44 -0.25 0.57 8.00 -1.26 -1.33 116.55 117.85 3hpx n ASP 402 Ca 0.28 0.70 0.08 0.00 0.71 0.00 0.00 54.79 56.57 3hpx n ASP 402 Cb 0.85 -0.76 -0.04 0.00 -0.02 0.00 0.00 41.12 41.15 3hpx n ASP 402 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3hpx n ASP 403 N -2.08 1.36 -4.92 -2.24 8.00 0.11 -5.02 116.55 111.76 3hpx n ASP 403 Ca -0.01 -1.18 -0.26 0.00 0.71 0.00 0.00 54.79 54.05 3hpx n ASP 403 Cb 0.03 0.67 -0.01 0.00 -0.02 0.00 0.00 41.12 41.79 3hpx n ASP 403 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3hpx s MET 404 N -2.22 3.52 -0.03 -1.24 -1.94 -0.44 -4.99 119.30 111.96 3hpx s MET 404 Ca 0.11 -0.09 -0.36 0.00 -1.71 0.00 0.00 55.69 53.64 3hpx s MET 404 Cb 0.13 -2.54 -0.14 0.00 2.01 0.00 0.00 34.83 34.29 3hpx s MET 404 CO 0.53 0.01 1.65 -0.11 -0.01 0.00 0.00 175.02 177.08 3hpx n LEU 405 N -1.93 2.70 -4.64 -0.03 7.94 -1.26 -4.87 117.00 114.91 3hpx n LEU 405 Ca -0.02 1.06 -0.43 0.00 -1.11 0.00 0.00 56.01 55.51 3hpx n LEU 405 Cb 0.56 -1.29 -0.02 0.00 0.53 0.00 0.00 43.42 43.19 3hpx n LEU 405 CO 0.50 -0.43 1.28 0.86 -1.11 0.00 0.00 177.39 178.50 3hpx s TRP 406 N 2.31 2.30 -0.50 1.96 -0.11 -1.26 -4.94 118.94 118.69 3hpx s TRP 406 Ca 0.88 0.60 0.06 0.00 1.22 0.00 0.00 56.10 58.86 3hpx s TRP 406 Cb -0.83 -3.86 0.21 0.00 -1.50 0.00 0.00 33.47 27.48 3hpx s TRP 406 CO 0.50 -2.73 0.49 1.04 -4.62 0.00 0.00 176.95 171.63 3hpx n GLN 407 N 7.28 1.07 -3.86 5.86 1.13 -1.26 -5.06 117.38 122.54 3hpx n GLN 407 Ca 0.17 -3.71 -0.26 0.00 -1.94 0.00 0.00 57.00 51.25 3hpx n GLN 407 Cb 0.45 -1.77 -0.17 0.00 0.11 0.00 0.00 30.24 28.86 3hpx n GLN 407 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3hpx s VAL 408 N -1.03 0.86 0.31 5.09 1.01 -1.26 -4.57 120.40 120.81 3hpx s VAL 408 Ca 0.33 -0.33 -0.28 0.00 0.00 0.00 0.00 61.98 61.70 3hpx s VAL 408 Cb 0.08 -1.00 -0.13 0.00 0.00 0.00 0.00 36.38 35.32 3hpx s VAL 408 CO -0.14 0.22 1.18 -2.65 0.00 0.00 0.00 175.10 173.71 3hpx n PRO 409 N 4.98 1.79 0.00 2.72 -0.02 -1.26 -2.74 135.00 140.47 3hpx n PRO 409 Ca -0.11 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3hpx n PRO 409 Cb 0.49 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3hpx n PRO 409 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hpx n TYR 410 N 0.37 0.00 -3.96 6.00 4.02 -1.26 -4.47 117.16 117.86 3hpx n TYR 410 Ca 0.07 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.65 3hpx n TYR 410 Cb 0.34 -0.04 -0.15 0.00 -0.02 0.00 0.00 39.34 39.47 3hpx n TYR 410 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3hpx s LEU 411 N 0.00 3.89 0.38 7.72 1.43 -1.11 -4.98 118.68 126.01 3hpx s LEU 411 Ca 0.00 -1.88 0.08 0.00 -1.03 0.00 0.00 54.13 51.30 3hpx s LEU 411 Cb 0.00 -1.41 0.82 0.00 0.03 0.00 0.00 46.19 45.63 3hpx s LEU 411 CO 0.00 -0.36 1.96 1.55 0.23 0.00 0.00 176.35 179.73 3hpx h PRO 412 N 7.76 0.64 -5.13 1.29 0.13 -1.92 -3.42 132.00 131.35 3hpx h PRO 412 Ca -0.09 -0.04 -0.35 0.00 -0.87 0.00 0.00 66.00 64.65 3hpx h PRO 412 Cb 1.03 -0.15 -0.17 0.00 0.13 0.00 0.00 31.00 31.84 3hpx h PRO 412 CO 0.49 0.43 -0.73 0.96 -0.23 0.00 0.00 178.00 178.92 3hpx s ILE 413 N -5.60 1.13 -0.07 -3.56 -4.36 -1.26 -5.02 121.20 102.46 3hpx s ILE 413 Ca -0.09 -1.81 -0.30 0.00 -0.26 0.00 0.00 60.65 58.20 3hpx s ILE 413 Cb 0.20 -1.57 -0.05 0.00 1.25 0.00 0.00 42.46 42.28 3hpx s ILE 413 CO 0.77 -0.58 1.66 -0.62 0.24 0.00 0.00 174.94 176.40 3hpx s ASP 414 N -2.69 6.63 0.57 4.36 -1.08 -1.26 -4.89 116.67 118.30 3hpx s ASP 414 Ca 0.10 2.18 0.26 0.00 -0.52 0.00 0.00 52.55 54.57 3hpx s ASP 414 Cb -0.02 -2.53 1.60 0.00 -1.46 0.00 0.00 42.92 40.51 3hpx s ASP 414 CO 0.01 -0.97 2.16 -0.65 0.52 0.00 0.00 175.17 176.24 3hpx h PRO 415 N 9.71 0.00 0.00 4.34 0.11 -1.94 -1.34 132.00 142.88 3hpx h PRO 415 Ca -0.39 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 3hpx h PRO 415 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hpx h PRO 415 CO 0.96 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.71 3hpx h ARG 416 N 0.00 0.00 0.00 1.05 -0.00 -1.86 0.39 114.38 113.96 3hpx h ARG 416 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.53 3hpx h ARG 416 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.23 3hpx h ARG 416 CO -0.00 0.04 0.00 -0.44 0.00 0.00 0.00 179.97 179.57 3hpx h ASP 417 N 0.00 0.00 -0.30 7.04 3.32 -1.55 -2.27 116.42 122.67 3hpx h ASP 417 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hpx h ASP 417 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3hpx h ASP 417 CO 0.00 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.85 3hpx n VAL 418 N -2.63 1.20 -1.11 -1.35 0.24 -1.01 -4.36 118.33 109.31 3hpx n VAL 418 Ca 0.01 -1.15 -0.03 0.00 -2.04 0.00 0.00 64.34 61.14 3hpx n VAL 418 Cb 0.27 0.38 -0.01 0.00 -1.47 0.00 0.00 33.84 33.01 3hpx n VAL 418 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hpx n GLY 419 N 0.24 0.59 3.93 7.63 0.00 -0.75 -0.91 105.19 115.92 3hpx n GLY 419 Ca 0.12 -0.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.95 3hpx n GLY 419 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hpx s ARG 420 N -2.29 2.29 0.02 1.61 1.81 0.13 -4.88 118.95 117.64 3hpx s ARG 420 Ca 0.00 -1.90 0.03 0.00 -1.72 0.00 0.00 55.73 52.15 3hpx s ARG 420 Cb 0.00 -2.24 -0.02 0.00 -0.45 0.00 0.00 34.95 32.24 3hpx s ARG 420 CO 0.00 -0.64 -0.11 0.95 -0.68 0.00 0.00 175.30 174.83 3hpx s THR 421 N -2.72 0.81 0.23 0.02 -4.23 -1.26 -2.73 115.64 105.75 3hpx s THR 421 Ca 0.41 -0.79 -0.30 0.00 -1.18 0.00 0.00 61.69 59.84 3hpx s THR 421 Cb -0.03 -0.75 -0.09 0.00 1.34 0.00 0.00 72.50 72.97 3hpx s THR 421 CO 0.26 -0.02 1.27 -0.47 -0.54 0.00 0.00 174.62 175.12 3hpx s TYR 422 N -0.74 3.28 -0.13 3.99 5.04 -1.26 -4.78 117.35 122.75 3hpx s TYR 422 Ca -0.00 1.33 -0.00 0.00 -2.44 0.00 0.00 57.07 55.95 3hpx s TYR 422 Cb -0.07 -3.56 0.03 0.00 0.35 0.00 0.00 41.96 38.71 3hpx s TYR 422 CO 0.01 -1.66 -0.09 -1.21 -1.34 0.00 0.00 175.55 171.26 3hpx s GLU 423 N -0.55 1.68 -0.32 4.97 2.02 -0.19 -5.02 118.70 121.30 3hpx s GLU 423 Ca 0.54 -0.37 -0.23 0.00 0.02 0.00 0.00 54.97 54.93 3hpx s GLU 423 Cb -0.36 -1.78 0.00 0.00 0.10 0.00 0.00 34.13 32.09 3hpx s GLU 423 CO 0.41 -0.29 0.75 0.00 0.02 0.00 0.00 175.26 176.15 3hpx s ALA 424 N 1.65 3.50 -0.56 5.21 0.00 -1.26 -1.14 121.76 129.16 3hpx s ALA 424 Ca 0.04 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.51 3hpx s ALA 424 Cb -0.13 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 19.75 3hpx s ALA 424 CO -0.09 -1.26 0.64 0.28 0.00 0.00 0.00 175.76 175.34