#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oef s LEU 8 N 0.00 4.17 0.00 1.04 1.43 -1.26 -5.01 118.68 119.05 2oef s LEU 8 Ca 0.00 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 2oef s LEU 8 Cb 0.00 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.40 2oef s LEU 8 CO 0.00 -0.22 0.43 -1.54 0.23 0.00 0.00 176.35 175.25 2oef n SER 9 N -1.51 0.41 0.00 2.29 3.41 -1.26 -4.80 113.62 112.16 2oef n SER 9 Ca -0.05 -1.28 0.00 0.00 -0.26 0.00 0.00 58.87 57.28 2oef n SER 9 Cb 0.57 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2oef n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2oef n ALA 10 N -0.06 0.00 -0.04 7.33 0.00 -1.26 -4.20 120.51 122.28 2oef n ALA 10 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2oef n ALA 10 Cb 0.10 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.74 2oef n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oef h ALA 11 N 0.00 1.11 0.00 0.00 0.00 -1.90 0.75 119.26 119.23 2oef h ALA 11 Ca 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 2oef h ALA 11 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2oef h ALA 11 CO 0.00 0.55 -0.52 0.00 0.00 0.00 0.00 179.25 179.28 2oef h ALA 12 N 1.29 0.73 -0.16 0.00 0.00 -1.84 -2.95 119.26 116.33 2oef h ALA 12 Ca 0.10 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 54.35 2oef h ALA 12 Cb 0.56 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2oef h ALA 12 CO 0.04 0.65 -0.63 1.96 0.00 0.00 0.00 179.25 181.26 2oef h GLN 13 N 0.00 0.59 -0.66 0.00 4.20 -1.26 -1.97 115.11 116.01 2oef h GLN 13 Ca -0.01 -0.42 -0.07 0.00 0.06 0.00 0.00 58.65 58.21 2oef h GLN 13 Cb 1.28 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 29.10 2oef h GLN 13 CO 0.07 1.03 0.12 0.00 -0.67 0.00 0.00 178.83 179.38 2oef h ALA 14 N 0.86 0.97 0.07 3.87 0.00 0.49 0.70 119.26 126.22 2oef h ALA 14 Ca -0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2oef h ALA 14 Cb 1.21 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2oef h ALA 14 CO 0.12 0.65 -0.03 0.00 0.00 0.00 0.00 179.25 179.99 2oef h VAL 16 N -0.21 0.70 -0.03 0.00 2.07 -1.09 -2.36 116.25 115.32 2oef h VAL 16 Ca -0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.54 2oef h VAL 16 Cb 0.18 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 2oef h VAL 16 CO 0.02 0.00 -0.15 0.50 0.02 0.00 0.00 177.57 177.95 2oef h LYS 17 N -0.11 -0.23 -0.38 1.57 3.64 -0.71 0.46 116.57 120.82 2oef h LYS 17 Ca 0.09 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2oef h LYS 17 Cb 0.24 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2oef h LYS 17 CO -0.20 -0.15 0.00 1.17 -2.27 0.00 0.00 179.45 177.99 2oef n LYS 18 N -5.29 0.00 0.00 1.90 4.81 0.67 -0.82 118.16 119.43 2oef n LYS 18 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 2oef n LYS 18 Cb 0.21 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.26 2oef n LYS 18 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2oef n ARG 20 N 0.52 0.00 -0.24 1.64 1.74 0.15 -2.60 116.66 117.87 2oef n ARG 20 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 2oef n ARG 20 Cb 0.00 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.48 2oef n ARG 20 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2oef h ASP 21 N 0.00 1.02 -0.07 0.55 3.45 -1.22 -1.73 116.42 118.43 2oef h ASP 21 Ca 0.00 -0.23 0.00 0.00 0.43 0.00 0.00 57.03 57.23 2oef h ASP 21 Cb 0.00 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 38.50 2oef h ASP 21 CO 0.00 0.99 0.00 0.00 -1.57 0.00 0.00 179.24 178.66 2oef n ALA 22 N -2.44 2.55 -3.29 3.45 0.00 -1.07 -4.91 120.51 114.80 2oef n ALA 22 Ca 0.05 -0.22 -0.17 0.00 0.00 0.00 0.00 53.44 53.09 2oef n ALA 22 Cb 0.25 -1.17 0.06 0.00 0.00 0.00 0.00 19.45 18.60 2oef n ALA 22 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2oef n LYS 23 N -0.38 -5.93 -2.58 0.00 5.02 -0.65 -4.99 118.16 108.65 2oef n LYS 23 Ca 0.11 0.64 -0.42 0.00 -2.02 0.00 0.00 58.31 56.62 2oef n LYS 23 Cb 0.13 -5.11 -0.03 0.00 -0.02 0.00 0.00 35.03 30.00 2oef n LYS 23 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2oef s VAL 24 N -3.25 4.52 0.58 -0.18 1.01 -1.26 -4.98 120.40 116.83 2oef s VAL 24 Ca 0.35 1.81 -0.18 0.00 0.00 0.00 0.00 61.98 63.96 2oef s VAL 24 Cb -0.16 -4.17 -0.07 0.00 0.00 0.00 0.00 36.38 31.99 2oef s VAL 24 CO 0.56 0.03 0.79 -0.46 0.00 0.00 0.00 175.10 176.02 2oef n ASN 25 N 4.89 0.07 -0.09 3.32 0.23 -1.26 -4.68 115.26 117.74 2oef n ASN 25 Ca 0.09 0.79 0.00 0.00 -0.53 0.00 0.00 54.58 54.94 2oef n ASN 25 Cb 0.48 -1.30 0.29 0.00 -2.08 0.00 0.00 39.78 37.17 2oef n ASN 25 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2oef h GLU 26 N 0.42 0.73 -0.93 -3.83 4.39 -1.93 -2.43 114.58 110.99 2oef h GLU 26 Ca -0.47 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.15 2oef h GLU 26 Cb 1.38 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.84 2oef h GLU 26 CO 0.50 0.58 0.62 0.00 -1.16 0.00 0.00 179.01 179.54 2oef h ALA 27 N 1.53 1.18 -0.04 3.43 0.00 -1.90 0.98 119.26 124.44 2oef h ALA 27 Ca 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2oef h ALA 27 Cb 0.10 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2oef h ALA 27 CO -0.02 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.79 2oef h ILE 29 N -0.22 0.67 -0.02 0.00 2.04 -0.96 0.68 117.51 119.71 2oef h ILE 29 Ca 0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.90 2oef h ILE 29 Cb 0.33 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 2oef h ILE 29 CO 0.00 0.00 -0.19 0.03 0.00 0.00 0.00 178.15 177.99 2oef h ARG 30 N -0.01 -0.29 -0.44 2.37 3.08 -0.75 0.13 114.38 118.48 2oef h ARG 30 Ca 0.15 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.26 2oef h ARG 30 Cb 0.24 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 2oef h ARG 30 CO -0.33 -0.20 0.20 1.15 -1.07 0.00 0.00 179.97 179.72 2oef h THR 31 N -0.30 0.94 -0.61 2.04 2.02 -1.03 -1.90 112.91 114.07 2oef h THR 31 Ca 0.06 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 2oef h THR 31 Cb 0.39 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 2oef h THR 31 CO -0.19 0.07 0.12 0.15 0.37 0.00 0.00 175.52 176.04 2oef h PHE 32 N 0.41 1.03 -0.58 3.16 3.57 -0.49 -2.71 116.94 121.33 2oef h PHE 32 Ca 0.19 -0.12 -0.11 0.00 3.53 0.00 0.00 57.97 61.47 2oef h PHE 32 Cb 0.12 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 2oef h PHE 32 CO -0.12 0.86 -0.05 0.82 -2.23 0.00 0.00 178.31 177.60 2oef h ILE 33 N 0.93 1.27 -0.99 1.41 1.08 -0.16 0.94 117.51 121.99 2oef h ILE 33 Ca 0.19 -1.21 0.00 0.00 -0.39 0.00 0.00 64.86 63.46 2oef h ILE 33 Cb 0.38 0.87 -0.05 0.00 -3.07 0.00 0.00 36.82 34.95 2oef h ILE 33 CO 0.01 0.43 0.63 0.00 -0.69 0.00 0.00 178.15 178.53 2oef h ALA 34 N 0.98 1.25 -0.18 1.87 0.00 -1.28 0.70 119.26 122.61 2oef h ALA 34 Ca 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2oef h ALA 34 Cb 0.61 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2oef h ALA 34 CO 0.04 0.67 0.08 1.96 0.00 0.00 0.00 179.25 181.99 2oef h GLN 35 N 1.35 0.27 -0.82 0.00 4.20 -1.10 -2.54 115.11 116.47 2oef h GLN 35 Ca 0.36 -0.05 0.10 0.00 0.06 0.00 0.00 58.65 59.13 2oef h GLN 35 Cb -0.12 -0.04 -0.08 0.00 0.30 0.00 0.00 27.48 27.54 2oef h GLN 35 CO -0.07 0.33 0.46 1.25 -0.67 0.00 0.00 178.83 180.13 2oef h HIS 36 N 0.15 0.82 0.00 2.96 2.76 0.08 -0.80 115.15 121.12 2oef h HIS 36 Ca 0.06 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2oef h HIS 36 Cb 0.16 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 28.88 2oef h HIS 36 CO -0.02 0.31 0.00 0.28 -1.30 0.00 0.00 177.93 177.20 2oef n VAL 37 N -4.77 0.03 0.00 5.26 0.31 0.15 -0.49 118.33 118.82 2oef n VAL 37 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 2oef n VAL 37 Cb 0.31 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 2oef n VAL 37 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2oef n VAL 39 N 0.62 0.00 0.27 2.52 0.31 -0.31 -1.62 118.33 120.12 2oef n VAL 39 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.45 2oef n VAL 39 Cb 0.03 0.00 0.76 0.00 -0.91 0.00 0.00 33.84 33.72 2oef n VAL 39 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2oef h SER 40 N 0.00 0.00 -0.33 4.52 0.02 -1.03 -0.26 113.55 116.47 2oef h SER 40 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2oef h SER 40 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2oef h SER 40 CO 0.00 0.06 0.00 0.29 -1.14 0.00 0.00 176.83 176.04 2oef n LYS 41 N -3.98 1.90 -1.71 3.45 5.02 -0.64 -4.91 118.16 117.29 2oef n LYS 41 Ca -0.03 -1.39 -0.03 0.00 -2.02 0.00 0.00 58.31 54.85 2oef n LYS 41 Cb 0.15 -1.35 -0.00 0.00 -0.02 0.00 0.00 35.03 33.81 2oef n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2oef n GLY 42 N 1.16 0.37 3.63 0.72 0.00 -0.11 -4.97 105.19 105.99 2oef n GLY 42 Ca 0.15 -0.84 -0.48 0.00 0.00 0.00 0.00 46.02 44.85 2oef n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2oef n GLU 43 N -1.84 1.65 -0.03 1.61 4.07 -1.26 -4.90 120.64 119.94 2oef n GLU 43 Ca -0.03 0.59 -0.21 0.00 -0.06 0.00 0.00 57.16 57.45 2oef n GLU 43 Cb 0.37 -2.23 -0.13 0.00 -0.06 0.00 0.00 31.44 29.39 2oef n GLU 43 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2oef n THR 44 N 2.25 1.70 0.00 6.31 -1.04 -1.26 -4.87 114.28 117.38 2oef n THR 44 Ca 0.15 -0.59 0.00 0.00 -2.04 0.00 0.00 64.05 61.57 2oef n THR 44 Cb 0.26 -1.70 0.00 0.00 -1.82 0.00 0.00 70.33 67.08 2oef n THR 44 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2oef n GLY 45 N 1.99 0.95 3.61 3.41 0.00 -1.26 -4.94 105.19 108.95 2oef n GLY 45 Ca -0.35 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.22 2oef n GLY 45 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2oef n SER 46 N 0.00 1.54 -3.40 1.61 2.88 -1.26 -4.71 113.62 110.27 2oef n SER 46 Ca 0.00 1.18 -0.27 0.00 -1.33 0.00 0.00 58.87 58.45 2oef n SER 46 Cb 0.00 -1.32 -0.10 0.00 -0.75 0.00 0.00 64.21 62.04 2oef n SER 46 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2oef s ILE 47 N -0.99 0.38 0.63 2.46 1.01 -0.00 -5.05 121.20 119.64 2oef s ILE 47 Ca 0.59 -2.65 -0.18 0.00 0.00 0.00 0.00 60.65 58.41 2oef s ILE 47 Cb -0.69 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 2oef s ILE 47 CO 0.60 -1.23 1.27 -2.16 0.00 0.00 0.00 174.94 173.42 2oef s PRO 48 N 0.06 2.66 0.47 2.79 0.04 -1.26 -4.75 135.00 135.01 2oef s PRO 48 Ca 0.32 2.01 0.24 0.00 0.04 0.00 0.00 61.00 63.61 2oef s PRO 48 Cb 0.03 -1.87 1.26 0.00 0.04 0.00 0.00 34.50 33.96 2oef s PRO 48 CO -0.19 -1.50 1.85 -0.44 0.04 0.00 0.00 177.00 176.76 2oef h ASP 49 N 0.64 0.24 0.36 6.66 3.45 -1.93 0.16 116.42 126.00 2oef h ASP 49 Ca -0.51 0.03 0.00 0.00 0.43 0.00 0.00 57.03 56.98 2oef h ASP 49 Cb 1.33 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 40.09 2oef h ASP 49 CO 0.54 0.08 0.00 -1.54 -1.57 0.00 0.00 179.24 176.74 2oef n SER 50 N -4.42 0.24 -0.44 6.45 3.41 -1.26 -2.10 113.62 115.50 2oef n SER 50 Ca 0.21 0.58 0.11 0.00 -0.26 0.00 0.00 58.87 59.50 2oef n SER 50 Cb 0.87 -0.62 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 2oef n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2oef n ALA 51 N -1.61 3.64 -3.00 7.33 0.00 0.54 -5.14 120.51 122.28 2oef n ALA 51 Ca 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2oef n ALA 51 Cb 0.12 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.81 2oef n ALA 51 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2oef n ILE 52 N -0.18 0.00 -3.82 0.00 -5.35 -0.89 -4.60 119.36 104.52 2oef n ILE 52 Ca 0.08 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.35 2oef n ILE 52 Cb 0.44 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.30 2oef n ILE 52 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2oef s PRO 54 N 1.08 2.68 -0.39 6.28 0.04 -1.26 -4.92 135.00 138.50 2oef s PRO 54 Ca 0.00 -1.33 -0.06 0.00 0.04 0.00 0.00 61.00 59.65 2oef s PRO 54 Cb 0.00 -2.44 0.08 0.00 0.04 0.00 0.00 34.50 32.18 2oef s PRO 54 CO 0.00 0.07 0.20 0.08 0.04 0.00 0.00 177.00 177.39 2oef s VAL 55 N -2.33 3.73 0.15 -0.36 1.01 -1.26 -4.56 120.40 116.78 2oef s VAL 55 Ca 0.41 -1.59 -0.09 0.00 0.00 0.00 0.00 61.98 60.72 2oef s VAL 55 Cb -0.05 -3.34 -0.08 0.00 0.00 0.00 0.00 36.38 32.91 2oef s VAL 55 CO 0.26 -0.49 1.44 0.44 0.00 0.00 0.00 175.10 176.75 2oef h ASP 56 N 8.23 0.86 -4.48 3.32 3.32 -2.00 -3.46 116.42 122.20 2oef h ASP 56 Ca -0.20 -0.46 -0.16 0.00 0.02 0.00 0.00 57.03 56.24 2oef h ASP 56 Cb 1.07 -0.25 -0.23 0.00 0.22 0.00 0.00 39.33 40.14 2oef h ASP 56 CO 0.70 1.23 -0.47 -0.94 -1.72 0.00 0.00 179.24 178.04 2oef s SER 57 N -6.95 -0.09 0.08 6.45 1.04 -1.26 -5.11 113.70 107.87 2oef s SER 57 Ca -0.09 0.07 -0.02 0.00 0.48 0.00 0.00 55.95 56.38 2oef s SER 57 Cb 0.10 0.30 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 2oef s SER 57 CO 0.87 -0.25 0.04 -0.76 0.98 0.00 0.00 173.24 174.12 2oef s LEU 58 N -0.75 2.07 0.87 2.42 1.43 -1.26 -5.13 118.68 118.32 2oef s LEU 58 Ca -0.08 -1.00 -0.12 0.00 -1.03 0.00 0.00 54.13 51.90 2oef s LEU 58 Cb -0.05 0.40 0.11 0.00 0.03 0.00 0.00 46.19 46.68 2oef s LEU 58 CO 0.01 -0.67 1.11 -1.81 0.23 0.00 0.00 176.35 175.23 2oef s ASP 59 N -2.95 3.85 -0.00 2.29 1.01 -1.26 -4.78 116.67 114.82 2oef s ASP 59 Ca 0.12 1.16 0.07 0.00 0.71 0.00 0.00 52.55 54.61 2oef s ASP 59 Cb 0.07 -1.82 -0.02 0.00 1.01 0.00 0.00 42.92 42.17 2oef s ASP 59 CO -0.07 -2.36 -0.22 0.00 0.21 0.00 0.00 175.17 172.74 2oef s ALA 60 N -3.18 1.84 0.46 5.23 0.00 -1.26 -1.25 121.76 123.59 2oef s ALA 60 Ca 0.63 -0.98 0.18 0.00 0.00 0.00 0.00 51.96 51.78 2oef s ALA 60 Cb -0.15 -0.45 1.15 0.00 0.00 0.00 0.00 23.12 23.68 2oef s ALA 60 CO 0.54 0.44 2.04 1.25 0.00 0.00 0.00 175.76 180.03 2oef h LEU 61 N 5.44 0.00 -1.16 0.00 6.46 -1.39 -1.87 115.31 122.79 2oef h LEU 61 Ca -0.41 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.30 2oef h LEU 61 Cb 1.14 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.06 2oef h LEU 61 CO 0.47 0.14 -0.24 0.44 -0.62 0.00 0.00 178.44 178.64 2oef h ASP 62 N 0.00 0.00 1.67 1.25 3.45 -1.95 -2.75 116.42 118.08 2oef h ASP 62 Ca -0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 2oef h ASP 62 Cb 0.27 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.04 2oef h ASP 62 CO 0.02 0.24 -0.34 0.28 -1.57 0.00 0.00 179.24 177.87 2oef h SER 63 N 0.00 0.00 -4.11 6.45 0.02 -1.73 -3.46 113.55 110.72 2oef h SER 63 Ca -0.00 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.48 2oef h SER 63 Cb 0.73 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.29 2oef h SER 63 CO 0.03 0.10 0.38 -0.76 -1.14 0.00 0.00 176.83 175.43 2oef s LEU 64 N -6.06 3.76 0.00 5.07 1.43 -1.04 -4.97 118.68 116.88 2oef s LEU 64 Ca 0.05 1.83 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 2oef s LEU 64 Cb 0.06 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.74 2oef s LEU 64 CO 0.71 -0.77 0.00 0.35 0.23 0.00 0.00 176.35 176.87 2oef n THR 65 N -1.20 0.00 -2.54 5.49 -2.24 -1.26 -5.02 114.28 107.51 2oef n THR 65 Ca 0.09 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 2oef n THR 65 Cb 0.53 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 2oef n THR 65 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2oef s ILE 66 N -0.45 4.42 0.12 2.28 1.01 -1.26 -4.97 121.20 122.35 2oef s ILE 66 Ca 0.00 1.73 -0.04 0.00 0.00 0.00 0.00 60.65 62.34 2oef s ILE 66 Cb 0.00 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.31 2oef s ILE 66 CO 0.00 0.06 0.34 -1.61 0.00 0.00 0.00 174.94 173.72 2oef s GLU 67 N 1.68 3.58 0.59 2.79 2.02 -1.26 -4.05 118.70 124.04 2oef s GLU 67 Ca 0.54 -0.17 -0.14 0.00 0.02 0.00 0.00 54.97 55.23 2oef s GLU 67 Cb -0.24 -2.89 -0.05 0.00 0.10 0.00 0.00 34.13 31.05 2oef s GLU 67 CO 0.24 0.50 1.02 0.00 0.02 0.00 0.00 175.26 177.04 2oef s ASP 69 N -3.52 5.79 0.38 0.00 1.47 -1.26 -4.89 116.67 114.64 2oef s ASP 69 Ca 0.58 1.50 0.16 0.00 1.18 0.00 0.00 52.55 55.98 2oef s ASP 69 Cb -0.12 -2.46 0.89 0.00 -0.34 0.00 0.00 42.92 40.89 2oef s ASP 69 CO 0.43 -1.16 1.42 0.78 0.68 0.00 0.00 175.17 177.32 2oef h ASN 70 N -0.52 0.00 -0.24 2.11 2.35 -1.96 -1.58 115.58 115.74 2oef h ASN 70 Ca -0.44 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.18 2oef h ASN 70 Cb 1.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.56 2oef h ASN 70 CO 0.60 0.00 -0.31 0.00 -1.65 0.00 0.00 177.43 176.07 2oef h ALA 71 N 1.27 0.81 -0.67 -0.83 0.00 -1.90 -2.97 119.26 114.98 2oef h ALA 71 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2oef h ALA 71 Cb 0.57 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2oef h ALA 71 CO 0.00 0.64 0.32 0.28 0.00 0.00 0.00 179.25 180.50 2oef h VAL 72 N 0.64 1.21 0.00 0.00 2.07 -1.64 -2.06 116.25 116.46 2oef h VAL 72 Ca 0.07 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 2oef h VAL 72 Cb 0.83 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2oef h VAL 72 CO 0.07 0.25 -0.26 -0.07 0.02 0.00 0.00 177.57 177.59 2oef h LEU 73 N 0.94 0.00 -2.18 2.57 3.38 -1.66 -2.04 115.31 116.32 2oef h LEU 73 Ca 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 2oef h LEU 73 Cb 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2oef h LEU 73 CO -0.03 0.26 -0.03 1.56 0.09 0.00 0.00 178.44 180.28 2oef h GLN 74 N 0.00 0.00 -0.33 1.13 1.08 -1.26 -1.59 115.11 114.15 2oef h GLN 74 Ca -0.00 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.07 2oef h GLN 74 Cb 0.55 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.90 2oef h GLN 74 CO 0.03 0.03 -0.03 -1.13 -0.95 0.00 0.00 178.83 176.78 2oef n SER 75 N -3.24 2.93 -4.56 1.46 3.41 -0.77 -4.45 113.62 108.39 2oef n SER 75 Ca -0.01 -3.51 -0.32 0.00 -0.26 0.00 0.00 58.87 54.76 2oef n SER 75 Cb 0.19 -0.61 -0.11 0.00 -0.26 0.00 0.00 64.21 63.43 2oef n SER 75 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2oef s THR 76 N -3.11 3.45 -0.12 6.66 2.01 -0.60 -0.25 115.64 123.69 2oef s THR 76 Ca 0.44 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.62 2oef s THR 76 Cb 0.38 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 70.41 2oef s THR 76 CO 0.03 0.39 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.43 2oef s VAL 77 N -0.97 2.05 -0.21 3.82 1.01 0.75 -1.49 120.40 125.36 2oef s VAL 77 Ca 0.16 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 2oef s VAL 77 Cb -0.11 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2oef s VAL 77 CO 0.07 0.55 0.09 -0.69 0.00 0.00 0.00 175.10 175.12 2oef s VAL 78 N 0.54 4.90 -0.05 2.92 1.01 0.17 -1.02 120.40 128.87 2oef s VAL 78 Ca -0.14 0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.88 2oef s VAL 78 Cb -0.17 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 32.98 2oef s VAL 78 CO 0.04 0.41 -0.10 -0.22 0.00 0.00 0.00 175.10 175.23 2oef s LEU 79 N 0.73 1.64 -0.10 3.92 0.20 -0.16 -4.11 118.68 120.79 2oef s LEU 79 Ca 0.05 -0.24 0.02 0.00 0.69 0.00 0.00 54.13 54.65 2oef s LEU 79 Cb -0.13 -0.69 -0.01 0.00 -0.43 0.00 0.00 46.19 44.92 2oef s LEU 79 CO 0.02 0.03 -0.16 -0.54 -0.29 0.00 0.00 176.35 175.41 2oef s LYS 80 N 0.54 3.07 0.10 1.98 -0.14 -1.26 -2.27 119.74 121.76 2oef s LYS 80 Ca -0.10 -0.74 -0.31 0.00 -1.36 0.00 0.00 55.97 53.45 2oef s LYS 80 Cb -0.13 -2.48 -0.08 0.00 -1.68 0.00 0.00 37.83 33.46 2oef s LYS 80 CO 0.02 0.31 1.41 -0.51 -0.76 0.00 0.00 175.35 175.82 2oef s LEU 81 N 0.08 4.36 -0.06 3.17 1.43 0.21 -4.46 118.68 123.42 2oef s LEU 81 Ca -0.07 2.32 0.25 0.00 -1.03 0.00 0.00 54.13 55.59 2oef s LEU 81 Cb -0.15 -3.58 0.45 0.00 0.03 0.00 0.00 46.19 42.94 2oef s LEU 81 CO 0.05 -0.68 1.16 -3.20 0.23 0.00 0.00 176.35 173.91 2oef n ASN 82 N 4.25 1.15 0.03 2.29 4.05 -1.26 -0.59 115.26 125.18 2oef n ASN 82 Ca 0.12 -2.04 0.12 0.00 0.45 0.00 0.00 54.58 53.23 2oef n ASN 82 Cb 0.42 -0.34 0.23 0.00 1.23 0.00 0.00 39.78 41.32 2oef n ASN 82 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2oef n GLY 83 N 0.23 -1.36 3.79 8.20 0.00 -1.26 -4.48 105.19 110.31 2oef n GLY 83 Ca 0.07 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 2oef n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2oef s GLY 84 N -3.37 2.67 0.36 -0.02 0.00 -1.26 -4.70 107.32 101.01 2oef s GLY 84 Ca 0.09 0.46 0.07 0.00 0.00 0.00 0.00 44.72 45.34 2oef s GLY 84 CO 0.70 0.85 0.36 1.08 0.00 0.00 0.00 173.10 176.09 2oef s LEU 85 N -2.36 3.59 -0.30 0.66 1.43 -1.26 -0.98 118.68 119.47 2oef s LEU 85 Ca 0.53 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 2oef s LEU 85 Cb -0.16 -2.27 0.28 0.00 0.03 0.00 0.00 46.19 44.07 2oef s LEU 85 CO 0.21 -0.48 1.79 0.61 0.23 0.00 0.00 176.35 178.71 2oef n GLY 86 N -1.49 3.84 0.42 -3.19 0.00 -0.98 -4.59 105.19 99.19 2oef n GLY 86 Ca 0.01 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 2oef n GLY 86 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2oef h THR 87 N 0.80 0.00 0.00 2.61 2.02 -1.51 0.42 112.91 117.25 2oef h THR 87 Ca 0.32 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.50 2oef h THR 87 Cb 1.35 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2oef h THR 87 CO 0.72 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.22 2oef n GLY 88 N -1.45 0.15 2.56 2.16 0.00 -1.26 -3.86 105.19 103.49 2oef n GLY 88 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 2oef n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oef n GLY 90 N 1.21 3.38 3.16 -0.02 0.00 -0.70 -5.01 105.19 107.21 2oef n GLY 90 Ca 0.00 -1.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.03 2oef n GLY 90 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2oef s LEU 91 N -3.17 1.25 0.00 0.99 2.96 0.14 -4.64 118.68 116.21 2oef s LEU 91 Ca 0.36 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.22 2oef s LEU 91 Cb 0.41 0.92 0.00 0.00 0.50 0.00 0.00 46.19 48.03 2oef s LEU 91 CO -0.05 -0.39 0.89 0.00 -1.32 0.00 0.00 176.35 175.48 2oef s ASP 93 N -0.79 5.26 0.30 0.00 3.68 -1.26 -4.83 116.67 119.03 2oef s ASP 93 Ca 0.00 -0.37 -0.30 0.00 2.13 0.00 0.00 52.55 54.02 2oef s ASP 93 Cb 0.00 -0.46 -0.11 0.00 -1.45 0.00 0.00 42.92 40.90 2oef s ASP 93 CO 0.00 -1.14 1.53 0.00 0.13 0.00 0.00 175.17 175.70 2oef s ALA 94 N -2.64 3.68 0.28 3.66 0.00 -1.26 -2.32 121.76 123.16 2oef s ALA 94 Ca 0.59 1.51 -0.01 0.00 0.00 0.00 0.00 51.96 54.04 2oef s ALA 94 Cb -0.09 -3.62 0.45 0.00 0.00 0.00 0.00 23.12 19.87 2oef s ALA 94 CO 0.37 -0.93 1.89 -0.22 0.00 0.00 0.00 175.76 176.87 2oef h LYS 95 N 4.52 1.10 0.00 0.00 1.63 -1.31 -1.82 116.57 120.70 2oef h LYS 95 Ca -0.47 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.26 2oef h LYS 95 Cb 1.22 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 2oef h LYS 95 CO 0.76 0.73 0.00 0.25 -3.45 0.00 0.00 179.45 177.74 2oef n THR 96 N -4.51 0.92 0.75 1.00 -2.24 -1.26 -2.19 114.28 106.75 2oef n THR 96 Ca 0.15 0.24 0.08 0.00 -2.27 0.00 0.00 64.05 62.25 2oef n THR 96 Cb 0.20 -1.08 0.23 0.00 -2.10 0.00 0.00 70.33 67.58 2oef n THR 96 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2oef n LEU 97 N -1.86 2.21 -4.74 3.22 4.77 -0.68 -1.92 117.00 118.00 2oef n LEU 97 Ca 0.03 -1.07 -0.41 0.00 -0.03 0.00 0.00 56.01 54.53 2oef n LEU 97 Cb 0.20 -0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 40.99 2oef n LEU 97 CO 0.17 0.53 0.68 -0.22 -1.33 0.00 0.00 177.39 177.22 2oef s LEU 98 N -1.14 4.54 0.09 2.23 2.96 -0.93 -4.89 118.68 121.54 2oef s LEU 98 Ca 0.30 1.88 -0.31 0.00 -0.22 0.00 0.00 54.13 55.78 2oef s LEU 98 Cb 0.16 -3.60 -0.07 0.00 0.50 0.00 0.00 46.19 43.18 2oef s LEU 98 CO 0.21 -0.03 1.35 -0.70 -1.32 0.00 0.00 176.35 175.87 2oef s GLU 99 N -0.37 4.34 -0.14 1.98 2.12 -1.26 -3.15 118.70 122.21 2oef s GLU 99 Ca 0.46 2.01 0.02 0.00 0.36 0.00 0.00 54.97 57.82 2oef s GLU 99 Cb -0.25 -3.30 -0.10 0.00 0.26 0.00 0.00 34.13 30.74 2oef s GLU 99 CO 0.31 -0.42 -0.11 0.28 -0.54 0.00 0.00 175.26 174.79 2oef n VAL 100 N 4.02 0.84 -3.64 3.70 0.31 0.20 -4.93 118.33 118.83 2oef n VAL 100 Ca 0.11 -0.35 -0.09 0.00 -0.01 0.00 0.00 64.34 64.00 2oef n VAL 100 Cb 0.43 -0.98 -0.07 0.00 -0.91 0.00 0.00 33.84 32.31 2oef n VAL 100 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2oef s LYS 101 N -2.29 0.71 -1.55 5.55 2.20 -0.81 -3.37 119.74 120.18 2oef s LYS 101 Ca -0.18 1.06 -0.02 0.00 -0.36 0.00 0.00 55.97 56.47 2oef s LYS 101 Cb 0.05 0.23 0.02 0.00 -1.51 0.00 0.00 37.83 36.62 2oef s LYS 101 CO 0.36 -0.12 0.14 -0.25 -0.36 0.00 0.00 175.35 175.11 2oef n ASP 102 N 3.57 0.43 0.00 1.43 8.00 -1.26 0.22 116.55 128.95 2oef n ASP 102 Ca -0.17 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.10 2oef n ASP 102 Cb 0.57 -1.88 0.00 0.00 -0.02 0.00 0.00 41.12 39.79 2oef n ASP 102 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2oef n GLY 103 N -2.34 1.84 3.86 0.44 0.00 -1.26 -5.02 105.19 102.71 2oef n GLY 103 Ca -0.29 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 2oef n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oef s LYS 104 N -0.00 3.75 0.61 1.61 1.02 0.13 -4.92 119.74 121.94 2oef s LYS 104 Ca 0.00 0.18 0.08 0.00 0.02 0.00 0.00 55.97 56.25 2oef s LYS 104 Cb 0.00 -3.10 0.10 0.00 -0.52 0.00 0.00 37.83 34.31 2oef s LYS 104 CO 0.00 0.64 0.84 0.95 -0.92 0.00 0.00 175.35 176.85 2oef s THR 105 N -1.25 2.10 0.10 2.17 -4.23 -1.26 0.59 115.64 113.87 2oef s THR 105 Ca 0.28 -0.94 -0.21 0.00 -1.18 0.00 0.00 61.69 59.64 2oef s THR 105 Cb -0.14 -2.16 -0.10 0.00 1.34 0.00 0.00 72.50 71.44 2oef s THR 105 CO 0.15 0.00 1.73 -0.26 -0.54 0.00 0.00 174.62 175.70 2oef h PHE 106 N 0.04 0.17 -0.62 3.99 -1.00 -1.37 -2.78 116.94 115.37 2oef h PHE 106 Ca -0.30 0.00 0.09 0.00 2.81 0.00 0.00 57.97 60.57 2oef h PHE 106 Cb 1.28 -0.06 -0.07 0.00 3.61 0.00 0.00 35.95 40.72 2oef h PHE 106 CO 0.33 0.14 0.25 1.25 -1.61 0.00 0.00 178.31 178.67 2oef h LEU 107 N 0.15 0.27 -0.47 1.54 5.85 -1.69 -1.98 115.31 118.98 2oef h LEU 107 Ca 0.05 0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.93 2oef h LEU 107 Cb 0.02 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 2oef h LEU 107 CO -0.01 0.16 -0.00 0.44 -0.34 0.00 0.00 178.44 178.69 2oef h ASP 108 N 0.45 -0.21 -0.45 1.25 3.32 -1.78 0.59 116.42 119.60 2oef h ASP 108 Ca 0.31 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.46 2oef h ASP 108 Cb 0.37 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 2oef h ASP 108 CO -0.29 -0.07 0.23 -0.26 -1.72 0.00 0.00 179.24 177.13 2oef h PHE 109 N 0.11 0.63 -0.27 4.55 -1.00 -1.22 0.32 116.94 120.05 2oef h PHE 109 Ca 0.24 -0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.94 2oef h PHE 109 Cb 0.35 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.70 2oef h PHE 109 CO -0.30 0.49 -0.02 1.15 -1.61 0.00 0.00 178.31 178.01 2oef h THR 110 N 0.58 1.27 -0.97 -1.55 2.02 -1.06 0.18 112.91 113.38 2oef h THR 110 Ca 0.16 -0.98 0.04 0.00 0.77 0.00 0.00 66.41 66.40 2oef h THR 110 Cb 0.08 1.37 -0.06 0.00 -1.74 0.00 0.00 68.15 67.80 2oef h THR 110 CO -0.02 0.31 0.63 0.00 0.37 0.00 0.00 175.52 176.81 2oef h ALA 111 N 0.80 1.30 -0.06 6.16 0.00 -0.68 -0.05 119.26 126.74 2oef h ALA 111 Ca 0.07 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 2oef h ALA 111 Cb 0.46 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2oef h ALA 111 CO 0.02 0.49 -0.68 -0.07 0.00 0.00 0.00 179.25 179.01 2oef h LEU 112 N 1.20 0.32 -0.38 0.00 3.38 -0.13 -0.69 115.31 119.01 2oef h LEU 112 Ca 0.40 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 2oef h LEU 112 Cb 0.05 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2oef h LEU 112 CO -0.14 0.90 0.09 1.56 0.09 0.00 0.00 178.44 180.95 2oef h GLN 113 N 0.19 0.61 0.16 1.13 4.20 0.00 -1.16 115.11 120.24 2oef h GLN 113 Ca -0.02 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 2oef h GLN 113 Cb 1.22 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.92 2oef h GLN 113 CO 0.11 0.64 -0.08 0.28 -0.67 0.00 0.00 178.83 179.11 2oef h VAL 114 N 0.47 0.83 -0.93 -0.54 2.07 -0.88 -1.77 116.25 115.51 2oef h VAL 114 Ca 0.12 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.74 2oef h VAL 114 Cb 0.30 0.83 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 2oef h VAL 114 CO 0.00 0.00 0.57 -0.61 0.02 0.00 0.00 177.57 177.55 2oef h GLN 115 N -0.22 0.91 -0.63 1.57 4.15 -1.01 0.02 115.11 119.90 2oef h GLN 115 Ca -0.02 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 2oef h GLN 115 Cb 0.17 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 2oef h GLN 115 CO 0.03 0.60 0.22 -0.92 -1.93 0.00 0.00 178.83 176.84 2oef h TYR 116 N 0.94 1.00 -0.07 3.99 5.03 -0.85 -2.26 116.97 124.74 2oef h TYR 116 Ca 0.45 -0.09 -0.12 0.00 2.58 0.00 0.00 58.73 61.55 2oef h TYR 116 Cb 0.39 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.36 2oef h TYR 116 CO -0.03 0.80 -0.49 -0.07 -1.32 0.00 0.00 178.16 177.06 2oef h LEU 117 N 0.90 0.20 -1.19 2.82 3.38 -0.40 -2.09 115.31 118.92 2oef h LEU 117 Ca 0.21 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 2oef h LEU 117 Cb 0.26 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2oef h LEU 117 CO -0.01 0.65 -0.33 0.03 0.09 0.00 0.00 178.44 178.87 2oef h ARG 118 N 0.15 0.00 0.00 1.13 3.08 -0.69 0.50 114.38 118.54 2oef h ARG 118 Ca 0.01 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 2oef h ARG 118 Cb 0.92 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 2oef h ARG 118 CO 0.07 0.33 -1.67 1.04 -1.07 0.00 0.00 179.97 178.67 2oef n GLN 119 N -3.70 0.64 -0.01 0.04 6.02 -0.88 -2.77 117.38 116.72 2oef n GLN 119 Ca -0.01 -0.03 0.04 0.00 -0.01 0.00 0.00 57.00 56.99 2oef n GLN 119 Cb 0.44 -1.65 -0.08 0.00 1.02 0.00 0.00 30.24 29.97 2oef n GLN 119 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2oef n HIS 120 N -2.52 0.00 0.00 1.08 8.25 -0.80 -4.93 115.22 116.30 2oef n HIS 120 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2oef n HIS 120 Cb 0.66 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.51 2oef n HIS 120 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2oef s SER 122 N -4.69 -0.01 0.00 0.00 1.04 0.14 -4.80 113.70 105.38 2oef s SER 122 Ca 0.00 0.22 0.16 0.00 0.48 0.00 0.00 55.95 56.82 2oef s SER 122 Cb 0.00 1.29 0.80 0.00 0.10 0.00 0.00 66.02 68.21 2oef s SER 122 CO 0.00 -0.30 1.49 -1.84 0.98 0.00 0.00 173.24 173.57 2oef n GLU 123 N 5.37 0.18 -0.07 4.02 0.00 -1.12 -2.47 120.64 126.55 2oef n GLU 123 Ca -0.02 0.15 0.11 0.00 0.00 0.00 0.00 57.16 57.40 2oef n GLU 123 Cb 0.50 -1.50 0.13 0.00 0.00 0.00 0.00 31.44 30.58 2oef n GLU 123 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2oef n HIS 124 N -1.34 0.19 -1.67 -1.84 8.25 -1.26 -4.96 115.22 112.59 2oef n HIS 124 Ca 0.07 -0.10 -0.44 0.00 -0.26 0.00 0.00 57.72 56.98 2oef n HIS 124 Cb 0.14 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.22 2oef n HIS 124 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2oef n LEU 125 N 1.28 3.88 -4.82 2.41 7.94 -1.03 -4.81 117.00 121.85 2oef n LEU 125 Ca 0.15 0.95 -0.37 0.00 -1.11 0.00 0.00 56.01 55.63 2oef n LEU 125 Cb 0.56 -1.48 -0.06 0.00 0.53 0.00 0.00 43.42 42.97 2oef n LEU 125 CO 0.14 0.10 0.28 -0.60 -1.11 0.00 0.00 177.39 176.20 2oef s ARG 126 N 3.74 4.15 0.21 1.96 6.06 -0.55 -4.97 118.95 129.54 2oef s ARG 126 Ca 0.88 0.69 0.09 0.00 -2.50 0.00 0.00 55.73 54.89 2oef s ARG 126 Cb -0.53 -3.11 -0.05 0.00 0.06 0.00 0.00 34.95 31.32 2oef s ARG 126 CO 0.43 0.57 -0.17 0.12 -2.50 0.00 0.00 175.30 173.75 2oef s PHE 127 N -1.26 1.92 0.00 5.12 5.36 -1.26 0.45 117.98 128.32 2oef s PHE 127 Ca 0.33 -0.47 0.00 0.00 -0.96 0.00 0.00 56.93 55.83 2oef s PHE 127 Cb -0.18 -0.90 0.00 0.00 -0.34 0.00 0.00 43.02 41.61 2oef s PHE 127 CO 0.19 0.45 0.00 1.28 -1.46 0.00 0.00 175.22 175.69 2oef n LEU 129 N -0.22 0.00 0.00 6.12 4.77 0.02 -4.47 117.00 123.22 2oef n LEU 129 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2oef n LEU 129 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2oef n LEU 129 CO 0.34 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.87 2oef n ASP 131 N 0.00 0.00 -4.33 -1.43 8.00 0.02 -0.88 116.55 117.93 2oef n ASP 131 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.24 2oef n ASP 131 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 2oef n ASP 131 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2oef s SER 132 N 0.00 2.98 0.54 -2.24 1.04 -1.26 -0.46 113.70 114.31 2oef s SER 132 Ca 0.00 -1.59 0.22 0.00 0.48 0.00 0.00 55.95 55.06 2oef s SER 132 Cb 0.00 0.34 1.48 0.00 0.10 0.00 0.00 66.02 67.94 2oef s SER 132 CO 0.00 -0.83 2.17 0.15 0.98 0.00 0.00 173.24 175.71 2oef h PHE 133 N 1.78 0.00 0.00 5.02 3.57 -1.94 -1.92 116.94 123.45 2oef h PHE 133 Ca -0.38 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.09 2oef h PHE 133 Cb 1.27 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.01 2oef h PHE 133 CO 1.27 0.03 -0.13 -0.91 -2.23 0.00 0.00 178.31 176.34 2oef h ASN 134 N 0.00 0.00 0.00 0.41 -0.26 -1.95 -3.37 115.58 110.41 2oef h ASN 134 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2oef h ASN 134 Cb 0.06 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.32 2oef h ASN 134 CO 0.00 0.13 -0.54 0.35 -1.06 0.00 0.00 177.43 176.31 2oef n THR 135 N -3.14 0.00 0.10 2.81 -2.24 -0.94 -4.75 114.28 106.10 2oef n THR 135 Ca 0.03 -0.30 -0.09 0.00 -2.27 0.00 0.00 64.05 61.42 2oef n THR 135 Cb 0.55 0.82 -0.05 0.00 -2.10 0.00 0.00 70.33 69.55 2oef n THR 135 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2oef h SER 136 N 0.00 -0.80 -0.37 3.42 0.87 -1.52 -1.13 113.55 114.02 2oef h SER 136 Ca 0.00 0.08 0.08 0.00 -1.23 0.00 0.00 61.79 60.71 2oef h SER 136 Cb 0.16 0.28 -0.07 0.00 -0.44 0.00 0.00 62.40 62.33 2oef h SER 136 CO 0.00 -0.32 -0.11 0.00 -0.53 0.00 0.00 176.83 175.87 2oef h ALA 137 N -1.13 0.22 -0.45 6.23 0.00 -1.87 -0.08 119.26 122.18 2oef h ALA 137 Ca -0.02 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2oef h ALA 137 Cb 0.42 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2oef h ALA 137 CO -0.11 -0.47 0.16 0.77 0.00 0.00 0.00 179.25 179.60 2oef h SER 138 N -0.02 0.59 -0.15 0.00 0.02 -1.86 -1.43 113.55 110.69 2oef h SER 138 Ca 0.18 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 2oef h SER 138 Cb 0.30 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 2oef h SER 138 CO -0.40 0.55 -0.16 0.74 -1.14 0.00 0.00 176.83 176.42 2oef h THR 139 N 0.64 1.34 -0.04 -2.27 2.02 -0.27 -2.31 112.91 112.02 2oef h THR 139 Ca 0.15 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 66.01 2oef h THR 139 Cb 0.16 1.87 -0.00 0.00 -1.74 0.00 0.00 68.15 68.43 2oef h THR 139 CO -0.01 0.39 0.01 0.50 0.37 0.00 0.00 175.52 176.78 2oef h LYS 140 N 0.01 0.03 0.00 6.66 3.64 -0.83 -1.76 116.57 124.32 2oef h LYS 140 Ca 0.02 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2oef h LYS 140 Cb 0.70 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2oef h LYS 140 CO 0.04 0.02 -0.13 0.66 -2.27 0.00 0.00 179.45 177.77 2oef h SER 141 N 0.04 0.00 0.16 4.20 4.64 -1.31 -0.41 113.55 120.87 2oef h SER 141 Ca 0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2oef h SER 141 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2oef h SER 141 CO -0.02 0.13 -0.08 0.15 -0.87 0.00 0.00 176.83 176.15 2oef h PHE 142 N 0.00 -0.20 -0.91 4.77 3.57 -0.94 -2.83 116.94 120.40 2oef h PHE 142 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2oef h PHE 142 Cb 0.51 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 2oef h PHE 142 CO 0.00 0.23 0.53 -0.07 -2.23 0.00 0.00 178.31 176.77 2oef h LEU 143 N -0.75 1.11 -0.98 0.59 3.38 -1.17 -0.46 115.31 117.03 2oef h LEU 143 Ca -0.02 -0.08 0.14 0.00 0.09 0.00 0.00 57.88 58.01 2oef h LEU 143 Cb 0.52 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 40.90 2oef h LEU 143 CO 0.04 0.87 0.60 0.50 0.09 0.00 0.00 178.44 180.53 2oef h LYS 144 N 1.26 0.86 0.07 1.13 3.64 -1.09 0.86 116.57 123.30 2oef h LYS 144 Ca 0.32 -0.05 -0.26 0.00 -1.27 0.00 0.00 60.65 59.39 2oef h LYS 144 Cb -0.02 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 2oef h LYS 144 CO -0.06 0.57 -1.25 0.00 -2.27 0.00 0.00 179.45 176.44 2oef h ALA 145 N 1.56 0.28 0.00 5.00 0.00 -1.11 -3.40 119.26 121.60 2oef h ALA 145 Ca 0.51 -0.99 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 2oef h ALA 145 Cb 0.60 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2oef h ALA 145 CO -0.30 1.16 -1.50 0.54 0.00 0.00 0.00 179.25 179.14 2oef n ARG 146 N -3.41 0.86 -3.26 0.00 5.12 -0.25 -4.85 116.66 110.88 2oef n ARG 146 Ca -0.08 -0.07 -0.24 0.00 -1.93 0.00 0.00 57.85 55.54 2oef n ARG 146 Cb 1.00 -1.24 -0.08 0.00 -1.16 0.00 0.00 32.46 30.99 2oef n ARG 146 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2oef n TYR 147 N -1.97 -0.95 -0.06 -1.55 4.02 0.29 -4.98 117.16 111.96 2oef n TYR 147 Ca -0.05 -3.25 0.16 0.00 -0.01 0.00 0.00 57.90 54.75 2oef n TYR 147 Cb 0.40 0.13 0.58 0.00 -0.02 0.00 0.00 39.34 40.43 2oef n TYR 147 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2oef h PRO 148 N 4.89 0.23 0.00 -0.72 0.11 -1.75 -0.50 132.00 134.26 2oef h PRO 148 Ca 0.17 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 2oef h PRO 148 Cb 0.91 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 2oef h PRO 148 CO 0.39 0.15 -0.03 0.11 -0.21 0.00 0.00 178.00 178.41 2oef h TRP 149 N 0.23 0.00 0.01 0.65 5.08 -1.94 0.42 115.95 120.41 2oef h TRP 149 Ca 0.28 0.00 -0.35 0.00 1.08 0.00 0.00 58.89 59.90 2oef h TRP 149 Cb 0.78 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.88 2oef h TRP 149 CO -0.00 0.03 -2.18 1.28 -1.28 0.00 0.00 178.44 176.29 2oef n LEU 150 N -3.17 0.97 -0.15 0.11 4.77 -0.28 -4.27 117.00 114.97 2oef n LEU 150 Ca -0.01 0.11 -0.09 0.00 -0.03 0.00 0.00 56.01 56.00 2oef n LEU 150 Cb 0.23 0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2oef n LEU 150 CO 0.26 0.57 0.91 0.22 -1.33 0.00 0.00 177.39 178.01 2oef h TYR 151 N 0.01 0.71 -0.87 -1.77 3.20 -0.81 -1.72 116.97 115.72 2oef h TYR 151 Ca -0.47 -0.07 0.18 0.00 3.14 0.00 0.00 58.73 61.52 2oef h TYR 151 Cb 2.11 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 40.11 2oef h TYR 151 CO 0.01 0.64 0.58 1.96 -1.64 0.00 0.00 178.16 179.71 2oef h GLN 152 N 0.58 0.44 -0.47 1.82 1.08 -1.11 -1.59 115.11 115.85 2oef h GLN 152 Ca 0.14 -0.03 -0.32 0.00 -1.45 0.00 0.00 58.65 57.00 2oef h GLN 152 Cb 0.26 -0.10 -0.23 0.00 -0.05 0.00 0.00 27.48 27.36 2oef h GLN 152 CO -0.01 0.29 -0.43 1.33 -0.95 0.00 0.00 178.83 179.06 2oef n VAL 153 N -4.52 2.53 0.15 -0.54 0.24 -1.06 -4.82 118.33 110.31 2oef n VAL 153 Ca 0.18 -3.52 -0.14 0.00 -2.04 0.00 0.00 64.34 58.82 2oef n VAL 153 Cb 0.63 -0.70 -0.07 0.00 -1.47 0.00 0.00 33.84 32.23 2oef n VAL 153 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 2oef h PHE 154 N 1.57 -0.36 0.06 6.34 3.57 -0.35 -2.09 116.94 125.68 2oef h PHE 154 Ca 0.25 -0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.53 2oef h PHE 154 Cb 1.36 0.13 0.02 0.00 2.79 0.00 0.00 35.95 40.25 2oef h PHE 154 CO 0.92 -0.22 -0.90 -0.44 -2.23 0.00 0.00 178.31 175.44 2oef h ASP 155 N -0.35 0.69 -0.22 0.41 5.19 -1.88 0.00 116.42 120.27 2oef h ASP 155 Ca -0.02 -0.81 -0.06 0.00 -0.62 0.00 0.00 57.03 55.53 2oef h ASP 155 Cb 0.29 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.57 2oef h ASP 155 CO 0.02 1.42 -0.03 0.77 -3.12 0.00 0.00 179.24 178.30 2oef h SER 156 N 0.05 0.51 0.00 6.45 4.64 -1.91 -3.41 113.55 119.88 2oef h SER 156 Ca -0.13 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2oef h SER 156 Cb 1.61 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 2oef h SER 156 CO 0.17 0.61 0.00 -1.84 -0.87 0.00 0.00 176.83 174.90 2oef n GLU 157 N -4.25 0.00 -0.10 4.77 0.28 -0.81 -4.99 120.64 115.54 2oef n GLU 157 Ca 0.01 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.88 2oef n GLU 157 Cb 0.27 -0.18 -0.05 0.00 1.43 0.00 0.00 31.44 32.91 2oef n GLU 157 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2oef n VAL 158 N 0.00 1.49 -2.61 3.84 0.31 -1.01 -4.79 118.33 115.57 2oef n VAL 158 Ca 0.00 0.03 -0.41 0.00 -0.01 0.00 0.00 64.34 63.95 2oef n VAL 158 Cb 0.13 -2.23 -0.04 0.00 -0.91 0.00 0.00 33.84 30.78 2oef n VAL 158 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2oef s GLU 159 N -2.65 4.67 0.00 5.55 2.12 -0.05 -0.80 118.70 127.54 2oef s GLU 159 Ca -0.29 1.62 0.00 0.00 0.36 0.00 0.00 54.97 56.67 2oef s GLU 159 Cb 0.06 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 31.16 2oef s GLU 159 CO 0.42 0.21 0.00 -0.11 -0.54 0.00 0.00 175.26 175.23 2oef n LEU 160 N 2.16 0.00 -3.89 2.70 7.94 -0.06 -4.91 117.00 120.94 2oef n LEU 160 Ca 0.01 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.77 2oef n LEU 160 Cb 0.47 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.27 2oef n LEU 160 CO 0.52 0.00 -0.38 -1.58 -1.11 0.00 0.00 177.39 174.85 2oef s GLN 162 N -0.37 0.21 1.09 1.96 0.74 0.40 -0.80 119.66 122.90 2oef s GLN 162 Ca 0.00 -0.05 -0.14 0.00 0.05 0.00 0.00 55.36 55.22 2oef s GLN 162 Cb 0.00 -0.25 0.23 0.00 1.10 0.00 0.00 33.01 34.10 2oef s GLN 162 CO 0.00 0.01 1.08 -0.80 -0.55 0.00 0.00 175.29 175.03 2oef s ASN 163 N 0.16 1.84 -0.03 6.67 0.01 -1.26 -4.80 114.94 117.53 2oef s ASN 163 Ca -0.01 1.09 -0.01 0.00 -0.71 0.00 0.00 52.86 53.22 2oef s ASN 163 Cb -0.04 -1.68 0.03 0.00 0.41 0.00 0.00 41.25 39.97 2oef s ASN 163 CO -0.00 -3.61 0.03 -1.10 -1.51 0.00 0.00 177.10 170.91 2oef s GLN 164 N -4.98 0.02 0.33 -0.60 -0.21 -1.26 -4.17 119.66 108.79 2oef s GLN 164 Ca 0.67 0.22 0.08 0.00 0.02 0.00 0.00 55.36 56.35 2oef s GLN 164 Cb -0.18 -0.38 -0.04 0.00 1.00 0.00 0.00 33.01 33.41 2oef s GLN 164 CO 0.58 -0.21 0.15 0.14 -2.12 0.00 0.00 175.29 173.83 2oef s VAL 165 N 1.39 3.11 0.09 1.09 -7.23 -0.18 -4.85 120.40 113.82 2oef s VAL 165 Ca -0.05 -1.67 -0.30 0.00 -1.81 0.00 0.00 61.98 58.14 2oef s VAL 165 Cb -0.13 -3.00 -0.06 0.00 0.56 0.00 0.00 36.38 33.76 2oef s VAL 165 CO -0.03 -0.20 1.12 -2.84 -0.31 0.00 0.00 175.10 172.84 2oef s PRO 166 N -3.85 4.52 0.25 4.82 0.02 -1.26 -1.29 135.00 138.22 2oef s PRO 166 Ca 0.37 1.68 -0.30 0.00 0.02 0.00 0.00 61.00 62.77 2oef s PRO 166 Cb -0.03 -3.35 -0.09 0.00 0.02 0.00 0.00 34.50 31.05 2oef s PRO 166 CO 0.23 -0.10 1.04 0.15 -0.33 0.00 0.00 177.00 177.99 2oef s LYS 167 N 0.56 4.72 0.01 5.54 1.02 0.52 -4.79 119.74 127.32 2oef s LYS 167 Ca 0.54 1.68 0.05 0.00 0.02 0.00 0.00 55.97 58.26 2oef s LYS 167 Cb -0.28 -3.23 -0.03 0.00 -0.52 0.00 0.00 37.83 33.77 2oef s LYS 167 CO 0.31 0.31 -0.11 0.96 -0.92 0.00 0.00 175.35 175.90 2oef s ILE 168 N -1.08 3.30 0.31 2.17 -4.36 -0.67 -1.12 121.20 119.74 2oef s ILE 168 Ca 0.44 -0.92 -0.29 0.00 -0.26 0.00 0.00 60.65 59.62 2oef s ILE 168 Cb -0.29 -2.41 -0.10 0.00 1.25 0.00 0.00 42.46 40.90 2oef s ILE 168 CO 0.37 0.39 1.41 -0.76 0.24 0.00 0.00 174.94 176.59 2oef s LEU 169 N -1.37 4.38 0.30 0.37 1.43 0.45 0.25 118.68 124.48 2oef s LEU 169 Ca 0.16 2.79 0.03 0.00 -1.03 0.00 0.00 54.13 56.08 2oef s LEU 169 Cb -0.11 -3.65 0.46 0.00 0.03 0.00 0.00 46.19 42.93 2oef s LEU 169 CO 0.06 -0.70 1.77 1.56 0.23 0.00 0.00 176.35 179.28 2oef h GLN 170 N 3.89 0.52 -0.00 1.70 4.20 -1.80 0.33 115.11 123.95 2oef h GLN 170 Ca -0.48 -0.16 -0.23 0.00 0.06 0.00 0.00 58.65 57.83 2oef h GLN 170 Cb 1.23 -0.05 0.02 0.00 0.30 0.00 0.00 27.48 28.98 2oef h GLN 170 CO 0.70 0.66 -0.90 0.38 -0.67 0.00 0.00 178.83 179.00 2oef h ASP 171 N 0.47 0.79 0.00 1.46 2.03 -1.92 -3.38 116.42 115.88 2oef h ASP 171 Ca 0.08 -0.74 0.00 0.00 -0.73 0.00 0.00 57.03 55.64 2oef h ASP 171 Cb 0.55 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 2oef h ASP 171 CO 0.04 1.44 -0.87 0.35 -1.03 0.00 0.00 179.24 179.16 2oef n THR 172 N -3.97 0.00 -1.45 1.15 -2.24 -1.23 -5.00 114.28 101.53 2oef n THR 172 Ca -0.11 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.29 2oef n THR 172 Cb 0.81 0.70 -0.05 0.00 -2.10 0.00 0.00 70.33 69.70 2oef n THR 172 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2oef n LEU 173 N -1.48 -0.99 -4.96 3.22 4.77 0.11 -4.89 117.00 112.78 2oef n LEU 173 Ca 0.00 0.28 -0.22 0.00 -0.03 0.00 0.00 56.01 56.04 2oef n LEU 173 Cb 0.20 -1.94 -0.02 0.00 -2.33 0.00 0.00 43.42 39.33 2oef n LEU 173 CO 0.21 -0.61 0.01 -1.61 -1.33 0.00 0.00 177.39 174.06 2oef s GLU 174 N -3.22 3.46 -0.24 3.23 2.02 -1.26 -4.66 118.70 118.02 2oef s GLU 174 Ca 0.00 -0.62 -0.37 0.00 0.02 0.00 0.00 54.97 53.99 2oef s GLU 174 Cb 0.00 -2.83 -0.14 0.00 0.10 0.00 0.00 34.13 31.26 2oef s GLU 174 CO 0.00 0.36 1.89 -2.30 0.02 0.00 0.00 175.26 175.23 2oef n PRO 175 N -1.42 1.43 -1.17 0.39 -0.02 -1.26 -0.41 135.00 132.54 2oef n PRO 175 Ca -0.08 0.50 -0.32 0.00 -2.02 0.00 0.00 63.50 61.59 2oef n PRO 175 Cb 0.56 -2.34 0.11 0.00 -0.02 0.00 0.00 33.50 31.81 2oef n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2oef s ALA 176 N 4.57 2.02 0.00 3.55 0.00 -0.28 -4.80 121.76 126.83 2oef s ALA 176 Ca 0.99 0.49 0.03 0.00 0.00 0.00 0.00 51.96 53.47 2oef s ALA 176 Cb -0.92 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 18.83 2oef s ALA 176 CO 0.58 -2.03 -0.08 0.00 0.00 0.00 0.00 175.76 174.23 2oef s ALA 177 N -2.62 0.68 -0.40 0.00 0.00 -1.26 -4.85 121.76 113.30 2oef s ALA 177 Ca 0.65 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.22 2oef s ALA 177 Cb -0.21 -0.14 0.16 0.00 0.00 0.00 0.00 23.12 22.93 2oef s ALA 177 CO 0.53 0.14 0.39 -0.46 0.00 0.00 0.00 175.76 176.36 2oef s TRP 178 N -0.38 -0.00 0.50 0.00 -0.00 -1.26 -4.98 118.94 112.81 2oef s TRP 178 Ca 0.01 -1.25 0.23 0.00 -0.00 0.00 0.00 56.10 55.09 2oef s TRP 178 Cb -0.04 -0.50 1.29 0.00 -0.00 0.00 0.00 33.47 34.22 2oef s TRP 178 CO -0.00 -0.96 1.96 0.00 -0.00 0.00 0.00 176.95 177.95 2oef h ALA 179 N 6.48 2.41 -0.29 5.86 0.00 -1.98 -1.22 119.26 130.52 2oef h ALA 179 Ca 0.10 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2oef h ALA 179 Cb 1.02 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2oef h ALA 179 CO 0.22 -0.59 0.08 0.93 0.00 0.00 0.00 179.25 179.89 2oef h GLU 180 N 0.14 0.20 -1.97 0.00 5.08 -2.07 -3.38 114.58 112.58 2oef h GLU 180 Ca 0.31 -0.01 -0.41 0.00 -1.00 0.00 0.00 59.36 58.25 2oef h GLU 180 Cb 1.04 -0.04 -0.31 0.00 0.50 0.00 0.00 28.75 29.93 2oef h GLU 180 CO -0.04 0.13 -0.74 1.21 -1.00 0.00 0.00 179.01 178.56 2oef s ASN 181 N -5.32 0.99 0.55 1.42 3.84 -0.53 -5.02 114.94 110.88 2oef s ASN 181 Ca -0.13 -2.03 0.36 0.00 0.21 0.00 0.00 52.86 51.27 2oef s ASN 181 Cb 0.11 0.43 1.54 0.00 -0.55 0.00 0.00 41.25 42.78 2oef s ASN 181 CO 0.70 -0.21 1.80 -0.65 -2.79 0.00 0.00 177.10 175.95 2oef h PRO 182 N 6.41 0.00 0.00 0.43 0.11 -1.58 0.19 132.00 137.57 2oef h PRO 182 Ca 0.11 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 2oef h PRO 182 Cb 1.02 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 2oef h PRO 182 CO 0.22 0.00 -0.01 0.00 -0.21 0.00 0.00 178.00 178.00 2oef h ALA 183 N 1.39 1.07 0.00 -0.75 0.00 -1.95 -0.35 119.26 118.67 2oef h ALA 183 Ca 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.45 2oef h ALA 183 Cb 2.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.02 2oef h ALA 183 CO -0.01 0.01 0.00 0.66 0.00 0.00 0.00 179.25 179.92 2oef n TYR 184 N -3.21 0.58 0.36 0.00 0.53 0.68 -2.49 117.16 113.61 2oef n TYR 184 Ca -0.02 0.21 0.14 0.00 -1.02 0.00 0.00 57.90 57.21 2oef n TYR 184 Cb 0.13 -0.84 0.46 0.00 -1.03 0.00 0.00 39.34 38.06 2oef n TYR 184 CO 0.00 0.00 0.00 0.93 -1.02 0.00 0.00 176.86 176.77 2oef h GLU 185 N 0.00 0.00 -6.31 -0.72 5.08 -1.21 -3.45 114.58 107.96 2oef h GLU 185 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 2oef h GLU 185 Cb 0.42 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.55 2oef h GLU 185 CO 0.00 0.00 -0.69 -1.58 -1.00 0.00 0.00 179.01 175.74 2oef s TRP 186 N -3.36 2.64 0.07 4.33 0.52 -1.04 -0.36 118.94 121.74 2oef s TRP 186 Ca 0.05 -0.23 -0.20 0.00 0.02 0.00 0.00 56.10 55.74 2oef s TRP 186 Cb 0.09 -1.22 0.05 0.00 -1.15 0.00 0.00 33.47 31.23 2oef s TRP 186 CO 0.55 0.58 0.48 0.00 0.02 0.00 0.00 176.95 178.58 2oef s ALA 187 N -2.06 -1.21 0.63 0.98 0.00 -0.41 -4.88 121.76 114.81 2oef s ALA 187 Ca 0.28 0.42 -0.17 0.00 0.00 0.00 0.00 51.96 52.49 2oef s ALA 187 Cb -0.07 0.47 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 2oef s ALA 187 CO 0.17 -0.54 1.19 -1.25 0.00 0.00 0.00 175.76 175.33 2oef s PRO 188 N -2.79 2.79 -0.51 0.00 0.04 -1.26 -1.02 135.00 132.26 2oef s PRO 188 Ca -0.03 1.73 0.02 0.00 0.04 0.00 0.00 61.00 62.76 2oef s PRO 188 Cb -0.00 -1.92 0.59 0.00 0.04 0.00 0.00 34.50 33.21 2oef s PRO 188 CO -0.04 -1.32 1.93 -0.35 0.04 0.00 0.00 177.00 177.26 2oef n PRO 189 N -1.94 2.39 0.00 0.56 -0.04 -1.26 -4.82 135.00 129.89 2oef n PRO 189 Ca 0.13 -3.12 0.00 0.00 -0.04 0.00 0.00 63.50 60.47 2oef n PRO 189 Cb 0.50 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 2oef n PRO 189 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2oef n GLY 190 N -1.07 -1.51 0.18 0.55 0.00 -1.26 -1.78 105.19 100.29 2oef n GLY 190 Ca 0.60 -1.56 0.13 0.00 0.00 0.00 0.00 46.02 45.19 2oef n GLY 190 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2oef h HIS 191 N 0.00 0.00 -0.03 1.61 2.07 -1.94 -2.00 115.15 114.86 2oef h HIS 191 Ca 0.00 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.53 2oef h HIS 191 Cb 0.00 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.98 2oef h HIS 191 CO 0.00 0.00 0.06 0.78 -3.07 0.00 0.00 177.93 175.70 2oef h GLY 192 N 1.29 0.00 2.00 6.13 0.00 -1.14 -0.44 103.07 110.92 2oef h GLY 192 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2oef h GLY 192 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 176.54 177.88 2oef n ASP 193 N -3.50 0.21 -0.23 0.19 -0.08 -0.75 -3.00 116.55 109.39 2oef n ASP 193 Ca -0.02 0.57 0.02 0.00 -1.51 0.00 0.00 54.79 53.85 2oef n ASP 193 Cb 0.14 -0.61 0.14 0.00 2.34 0.00 0.00 41.12 43.13 2oef n ASP 193 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2oef h ILE 194 N 0.00 0.74 -0.54 5.18 2.10 -1.30 0.12 117.51 123.81 2oef h ILE 194 Ca 0.00 -0.15 -0.07 0.00 1.08 0.00 0.00 64.86 65.72 2oef h ILE 194 Cb 0.14 0.26 -0.02 0.00 -1.09 0.00 0.00 36.82 36.10 2oef h ILE 194 CO 0.00 0.08 0.04 1.88 -1.08 0.00 0.00 178.15 179.07 2oef h TYR 195 N 0.44 0.94 0.25 2.19 -1.99 -1.79 -0.86 116.97 116.15 2oef h TYR 195 Ca 0.35 -0.13 -0.01 0.00 2.00 0.00 0.00 58.73 60.94 2oef h TYR 195 Cb 0.46 -0.26 0.00 0.00 2.00 0.00 0.00 36.73 38.93 2oef h TYR 195 CO -0.16 0.83 -0.12 1.15 -0.00 0.00 0.00 178.16 179.86 2oef h THR 196 N 0.83 0.81 -0.70 -2.88 2.02 -1.45 -2.33 112.91 109.21 2oef h THR 196 Ca 0.16 -0.45 0.05 0.00 0.77 0.00 0.00 66.41 66.95 2oef h THR 196 Cb 0.43 1.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.86 2oef h THR 196 CO 0.02 0.10 0.41 0.00 0.37 0.00 0.00 175.52 176.41 2oef h ALA 197 N 0.12 0.94 -0.36 6.16 0.00 -0.68 0.28 119.26 125.71 2oef h ALA 197 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2oef h ALA 197 Cb 0.41 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2oef h ALA 197 CO 0.06 0.12 0.24 -0.07 0.00 0.00 0.00 179.25 179.59 2oef h LEU 198 N 0.76 0.42 0.31 0.00 3.38 -1.12 -1.17 115.31 117.89 2oef h LEU 198 Ca 0.30 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 2oef h LEU 198 Cb 0.14 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2oef h LEU 198 CO -0.16 0.31 -0.15 0.22 0.09 0.00 0.00 178.44 178.75 2oef h TYR 199 N 0.49 -0.38 -0.87 1.13 3.20 -1.01 0.36 116.97 119.89 2oef h TYR 199 Ca 0.13 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.10 2oef h TYR 199 Cb -0.05 0.13 -0.08 0.00 1.54 0.00 0.00 36.73 38.27 2oef h TYR 199 CO -0.05 -0.04 0.51 0.78 -1.64 0.00 0.00 178.16 177.72 2oef h GLY 200 N -0.93 1.38 2.00 1.82 0.00 -0.48 -1.77 103.07 105.10 2oef h GLY 200 Ca -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2oef h GLY 200 CO 0.07 0.13 0.00 -1.14 0.00 0.00 0.00 176.54 175.60 2oef n SER 201 N -4.72 0.48 0.00 0.19 3.41 -0.44 -4.86 113.62 107.68 2oef n SER 201 Ca 0.15 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.36 2oef n SER 201 Cb 0.30 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 2oef n SER 201 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2oef n GLY 202 N 0.30 0.96 0.16 5.00 0.00 -0.67 -4.94 105.19 106.01 2oef n GLY 202 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 2oef n GLY 202 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oef h LYS 203 N 3.72 0.05 0.48 1.61 1.57 -1.65 -2.06 116.57 120.29 2oef h LYS 203 Ca 0.00 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2oef h LYS 203 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2oef h LYS 203 CO 0.00 0.55 -0.23 1.25 -0.57 0.00 0.00 179.45 180.45 2oef h LEU 204 N 0.04 -0.54 -0.70 2.94 5.85 -0.56 -1.11 115.31 121.22 2oef h LEU 204 Ca -0.00 -0.08 0.13 0.00 0.84 0.00 0.00 57.88 58.77 2oef h LEU 204 Cb 0.92 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 42.00 2oef h LEU 204 CO 0.07 -0.21 0.23 1.56 -0.34 0.00 0.00 178.44 179.75 2oef h GLN 205 N -0.90 0.36 -0.46 1.25 7.50 -1.79 -1.51 115.11 119.55 2oef h GLN 205 Ca -0.07 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.05 2oef h GLN 205 Cb 0.59 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 28.02 2oef h GLN 205 CO 0.11 0.24 0.24 1.49 -1.50 0.00 0.00 178.83 179.40 2oef h GLU 206 N 0.37 0.66 -0.50 1.46 4.81 -1.26 -1.34 114.58 118.77 2oef h GLU 206 Ca 0.38 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.44 2oef h GLU 206 Cb 0.58 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2oef h GLU 206 CO -0.41 0.54 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.31 2oef h LEU 207 N 0.61 0.89 -0.32 1.64 3.38 -0.52 -2.08 115.31 118.91 2oef h LEU 207 Ca 0.16 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 2oef h LEU 207 Cb 0.09 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2oef h LEU 207 CO -0.02 1.00 0.09 0.58 0.09 0.00 0.00 178.44 180.18 2oef h VAL 208 N 0.77 1.21 0.00 1.22 2.07 -1.21 -0.46 116.25 119.84 2oef h VAL 208 Ca 0.14 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2oef h VAL 208 Cb 0.56 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2oef h VAL 208 CO 0.03 0.23 0.00 1.05 0.02 0.00 0.00 177.57 178.90 2oef h GLU 209 N 0.36 0.00 -0.01 1.57 4.11 -1.18 -0.35 114.58 119.08 2oef h GLU 209 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 2oef h GLU 209 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2oef h GLU 209 CO -0.00 0.00 -0.10 1.04 0.07 0.00 0.00 179.01 180.02 2oef n GLN 210 N -2.80 1.14 -0.13 1.06 6.02 -0.79 -4.93 117.38 116.95 2oef n GLN 210 Ca 0.01 -0.56 0.00 0.00 -0.01 0.00 0.00 57.00 56.43 2oef n GLN 210 Cb 0.25 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.02 2oef n GLN 210 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2oef n GLY 211 N 1.23 0.71 3.73 1.08 0.00 -0.14 -5.06 105.19 106.73 2oef n GLY 211 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2oef n GLY 211 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2oef s TYR 212 N -2.16 3.46 -0.15 1.61 1.51 -0.23 -4.78 117.35 116.63 2oef s TYR 212 Ca 0.00 1.40 -0.01 0.00 -1.01 0.00 0.00 57.07 57.45 2oef s TYR 212 Cb 0.00 -3.40 -0.09 0.00 -0.11 0.00 0.00 41.96 38.36 2oef s TYR 212 CO 0.00 -1.14 -0.14 -2.13 -1.11 0.00 0.00 175.55 171.03 2oef n ARG 213 N 3.09 0.35 -1.80 -0.62 0.63 0.65 -4.36 116.66 114.60 2oef n ARG 213 Ca 0.06 0.10 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 2oef n ARG 213 Cb 0.46 -1.23 0.00 0.00 0.45 0.00 0.00 32.46 32.13 2oef n ARG 213 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2oef n TYR 214 N -3.08 -0.26 -3.37 -0.14 4.02 -0.90 -0.10 117.16 113.32 2oef n TYR 214 Ca -0.26 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.65 2oef n TYR 214 Cb 0.76 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.04 2oef n TYR 214 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 2oef s PHE 216 N -0.70 -0.89 -0.03 -0.72 5.36 -0.19 -0.18 117.98 120.63 2oef s PHE 216 Ca 0.00 1.35 0.04 0.00 -0.96 0.00 0.00 56.93 57.36 2oef s PHE 216 Cb 0.00 0.46 -0.03 0.00 -0.34 0.00 0.00 43.02 43.11 2oef s PHE 216 CO 0.00 -0.46 -0.13 0.08 -1.46 0.00 0.00 175.22 173.25 2oef s VAL 217 N 2.66 3.18 0.20 3.12 1.01 0.47 -0.99 120.40 130.04 2oef s VAL 217 Ca 0.00 -0.79 -0.23 0.00 0.00 0.00 0.00 61.98 60.97 2oef s VAL 217 Cb -0.09 -2.29 0.05 0.00 0.00 0.00 0.00 36.38 34.06 2oef s VAL 217 CO -0.17 0.52 0.66 -0.94 0.00 0.00 0.00 175.10 175.16 2oef s SER 218 N -0.98 -0.45 0.34 3.32 1.04 -0.96 -0.78 113.70 115.24 2oef s SER 218 Ca 0.13 -0.22 -0.28 0.00 0.48 0.00 0.00 55.95 56.06 2oef s SER 218 Cb -0.11 0.64 -0.10 0.00 0.10 0.00 0.00 66.02 66.55 2oef s SER 218 CO 0.03 -1.09 1.32 0.20 0.98 0.00 0.00 173.24 174.68 2oef s ASN 219 N -2.80 6.69 0.46 7.02 -0.87 -1.26 -0.62 114.94 123.56 2oef s ASN 219 Ca 0.05 2.72 0.17 0.00 -1.57 0.00 0.00 52.86 54.23 2oef s ASN 219 Cb -0.03 -2.65 1.09 0.00 -0.02 0.00 0.00 41.25 39.65 2oef s ASN 219 CO -0.06 -0.59 2.00 1.23 -2.57 0.00 0.00 177.10 177.11 2oef h GLY 220 N 3.28 0.00 -1.32 0.66 0.00 -1.14 -2.32 103.07 102.22 2oef h GLY 220 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2oef h GLY 220 CO 0.65 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.28 2oef n ASP 221 N -4.14 1.92 -4.18 0.19 5.68 -1.26 -4.63 116.55 110.13 2oef n ASP 221 Ca -0.02 -2.00 -0.40 0.00 -0.50 0.00 0.00 54.79 51.86 2oef n ASP 221 Cb 0.25 -0.24 -0.07 0.00 -1.14 0.00 0.00 41.12 39.92 2oef n ASP 221 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 2oef s ASN 222 N -1.00 5.78 0.46 -1.12 3.04 -0.87 -2.25 114.94 118.97 2oef s ASN 222 Ca 0.24 -2.80 0.32 0.00 0.04 0.00 0.00 52.86 50.65 2oef s ASN 222 Cb 0.12 -1.98 1.50 0.00 -1.54 0.00 0.00 41.25 39.35 2oef s ASN 222 CO 0.16 -0.44 1.95 -0.07 -3.04 0.00 0.00 177.10 175.66 2oef h LEU 223 N 7.29 0.00 -0.01 3.21 3.38 -1.82 -2.17 115.31 125.18 2oef h LEU 223 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2oef h LEU 223 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2oef h LEU 223 CO 0.73 0.00 -0.01 0.61 0.09 0.00 0.00 178.44 179.86 2oef n GLY 224 N -0.51 -1.25 3.45 0.83 0.00 -1.26 -4.52 105.19 101.92 2oef n GLY 224 Ca -0.00 -0.15 -0.44 0.00 0.00 0.00 0.00 46.02 45.42 2oef n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oef s ALA 225 N -2.55 3.78 0.39 4.61 0.00 -0.82 -4.37 121.76 122.80 2oef s ALA 225 Ca 0.29 -3.14 0.08 0.00 0.00 0.00 0.00 51.96 49.19 2oef s ALA 225 Cb 0.20 -4.06 -0.06 0.00 0.00 0.00 0.00 23.12 19.20 2oef s ALA 225 CO 0.46 -2.82 0.06 0.95 0.00 0.00 0.00 175.76 174.41 2oef s THR 226 N 1.89 2.31 -0.07 0.00 -4.23 -1.26 -4.99 115.64 109.28 2oef s THR 226 Ca 0.38 -1.90 -0.30 0.00 -1.18 0.00 0.00 61.69 58.69 2oef s THR 226 Cb -0.04 -2.92 -0.05 0.00 1.34 0.00 0.00 72.50 70.83 2oef s THR 226 CO -0.04 -0.07 1.70 -0.63 -0.54 0.00 0.00 174.62 175.04 2oef s ILE 227 N -2.61 3.52 -0.27 2.99 -1.09 -1.26 -4.98 121.20 117.50 2oef s ILE 227 Ca 0.37 0.61 -0.00 0.00 -2.23 0.00 0.00 60.65 59.40 2oef s ILE 227 Cb 0.04 -3.42 0.04 0.00 -1.58 0.00 0.00 42.46 37.54 2oef s ILE 227 CO 0.20 -0.09 -0.07 -0.62 -1.23 0.00 0.00 174.94 173.14 2oef s ASP 228 N 3.78 4.48 0.65 3.58 3.68 -1.26 -4.98 116.67 126.58 2oef s ASP 228 Ca 0.76 -1.16 0.36 0.00 2.13 0.00 0.00 52.55 54.63 2oef s ASP 228 Cb -0.33 -1.63 1.98 0.00 -1.45 0.00 0.00 42.92 41.49 2oef s ASP 228 CO 0.31 -0.18 2.17 0.11 0.13 0.00 0.00 175.17 177.70 2oef h LYS 229 N 7.93 0.00 -0.31 4.34 1.57 -1.94 -1.57 116.57 126.58 2oef h LYS 229 Ca -0.25 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.39 2oef h LYS 229 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 2oef h LYS 229 CO 0.53 0.00 -0.36 0.00 -0.57 0.00 0.00 179.45 179.05 2oef h ARG 230 N 0.00 0.72 -0.56 3.15 3.08 -1.93 -1.98 114.38 116.86 2oef h ARG 230 Ca 0.02 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.69 2oef h ARG 230 Cb 0.32 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2oef h ARG 230 CO -0.00 0.97 0.24 0.28 -1.07 0.00 0.00 179.97 180.38 2oef h VAL 231 N 0.60 1.22 -0.44 2.04 2.07 -1.58 -0.74 116.25 119.41 2oef h VAL 231 Ca 0.06 -0.65 -0.08 0.00 0.82 0.00 0.00 66.70 66.84 2oef h VAL 231 Cb 0.89 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2oef h VAL 231 CO 0.08 0.25 -0.07 -0.07 0.02 0.00 0.00 177.57 177.79 2oef h LEU 232 N 0.76 0.74 -0.33 2.57 3.38 -1.59 -2.87 115.31 117.97 2oef h LEU 232 Ca 0.19 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2oef h LEU 232 Cb 0.17 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2oef h LEU 232 CO -0.02 0.85 -0.14 0.00 0.09 0.00 0.00 178.44 179.22 2oef h ALA 233 N 1.23 0.46 0.00 1.53 0.00 -1.23 -1.47 119.26 119.78 2oef h ALA 233 Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2oef h ALA 233 Cb 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2oef h ALA 233 CO 0.03 0.35 0.00 0.98 0.00 0.00 0.00 179.25 180.61 2oef n TYR 234 N -4.38 0.00 0.00 0.00 9.36 -0.31 -0.87 117.16 120.97 2oef n TYR 234 Ca -0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.19 2oef n TYR 234 Cb 0.37 -0.03 0.00 0.00 -0.63 0.00 0.00 39.34 39.06 2oef n TYR 234 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2oef n GLU 236 N 0.61 0.00 -0.06 2.98 -0.58 -0.56 -0.68 120.64 122.35 2oef n GLU 236 Ca 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 2oef n GLU 236 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 2oef n GLU 236 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2oef h LYS 237 N 0.00 0.45 -0.00 3.49 3.64 -1.27 -3.18 116.57 119.69 2oef h LYS 237 Ca 0.00 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2oef h LYS 237 Cb 0.00 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2oef h LYS 237 CO 0.00 0.80 -0.26 0.39 -2.27 0.00 0.00 179.45 178.12 2oef n GLU 238 N -4.48 0.46 -3.36 1.90 -0.58 0.14 -4.96 120.64 109.77 2oef n GLU 238 Ca -0.06 -0.22 -0.17 0.00 -0.42 0.00 0.00 57.16 56.30 2oef n GLU 238 Cb 0.39 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.84 2oef n GLU 238 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2oef n LYS 239 N -1.07 -4.18 -3.61 3.49 5.02 -1.21 -4.98 118.16 111.62 2oef n LYS 239 Ca 0.10 0.84 -0.37 0.00 -2.02 0.00 0.00 58.31 56.86 2oef n LYS 239 Cb 0.32 -5.77 -0.06 0.00 -0.02 0.00 0.00 35.03 29.49 2oef n LYS 239 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2oef s ILE 240 N -3.39 5.26 -0.47 -0.18 1.01 -1.26 -4.90 121.20 117.26 2oef s ILE 240 Ca 0.25 0.57 0.20 0.00 0.00 0.00 0.00 60.65 61.67 2oef s ILE 240 Cb -0.04 -3.60 -0.27 0.00 0.01 0.00 0.00 42.46 38.56 2oef s ILE 240 CO 0.74 0.52 0.65 0.47 0.00 0.00 0.00 174.94 177.32 2oef n ASP 241 N 2.51 0.59 -3.67 3.58 8.00 -0.17 -4.77 116.55 122.62 2oef n ASP 241 Ca -0.15 -0.47 -0.08 0.00 0.71 0.00 0.00 54.79 54.80 2oef n ASP 241 Cb 0.53 1.49 -0.09 0.00 -0.02 0.00 0.00 41.12 43.03 2oef n ASP 241 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2oef s PHE 242 N -3.18 -0.81 0.15 1.24 5.36 -1.21 -0.44 117.98 119.09 2oef s PHE 242 Ca -0.00 1.59 0.02 0.00 -0.96 0.00 0.00 56.93 57.58 2oef s PHE 242 Cb 0.14 0.38 -0.01 0.00 -0.34 0.00 0.00 43.02 43.20 2oef s PHE 242 CO 0.85 -0.45 0.07 -0.11 -1.46 0.00 0.00 175.22 174.12 2oef n LEU 243 N 4.75 0.00 -3.76 6.12 7.94 0.90 -0.53 117.00 132.42 2oef n LEU 243 Ca -0.17 -1.17 -0.13 0.00 -1.11 0.00 0.00 56.01 53.43 2oef n LEU 243 Cb 0.53 0.44 -0.13 0.00 0.53 0.00 0.00 43.42 44.79 2oef n LEU 243 CO 0.03 -0.18 -0.17 -1.61 -1.11 0.00 0.00 177.39 174.35 2oef s GLU 245 N -2.56 0.17 0.16 1.96 2.02 -0.63 -1.01 118.70 118.80 2oef s GLU 245 Ca 0.09 0.40 0.06 0.00 0.02 0.00 0.00 54.97 55.54 2oef s GLU 245 Cb 0.00 -0.07 -0.04 0.00 0.10 0.00 0.00 34.13 34.12 2oef s GLU 245 CO 0.07 -0.12 -0.13 0.14 0.02 0.00 0.00 175.26 175.24 2oef s VAL 246 N 0.87 1.43 0.29 2.63 -7.23 0.11 -2.40 120.40 116.10 2oef s VAL 246 Ca -0.06 -2.04 0.12 0.00 -1.81 0.00 0.00 61.98 58.18 2oef s VAL 246 Cb -0.08 -1.85 -0.05 0.00 0.56 0.00 0.00 36.38 34.96 2oef s VAL 246 CO -0.05 -0.61 -0.18 0.00 -0.31 0.00 0.00 175.10 173.95 2oef s ARG 248 N -3.53 4.52 0.17 0.00 3.52 -1.26 -1.94 118.95 120.43 2oef s ARG 248 Ca 0.30 1.72 -0.30 0.00 -0.13 0.00 0.00 55.73 57.32 2oef s ARG 248 Cb -0.04 -3.32 -0.08 0.00 -1.56 0.00 0.00 34.95 29.96 2oef s ARG 248 CO 0.15 -0.07 1.17 1.03 -0.81 0.00 0.00 175.30 176.77 2oef s ARG 249 N 0.28 4.52 0.45 5.12 0.52 0.12 -4.88 118.95 125.08 2oef s ARG 249 Ca 0.53 1.81 0.07 0.00 -0.52 0.00 0.00 55.73 57.62 2oef s ARG 249 Cb -0.29 -3.27 -0.02 0.00 0.52 0.00 0.00 34.95 31.90 2oef s ARG 249 CO 0.32 -0.06 0.31 0.95 0.02 0.00 0.00 175.30 176.85 2oef s THR 250 N 0.02 2.29 0.49 0.02 -4.23 -1.26 -4.93 115.64 108.04 2oef s THR 250 Ca 0.52 -1.51 0.28 0.00 -1.18 0.00 0.00 61.69 59.81 2oef s THR 250 Cb -0.31 -2.80 0.47 0.00 1.34 0.00 0.00 72.50 71.20 2oef s THR 250 CO 0.35 0.00 1.84 -0.33 -0.54 0.00 0.00 174.62 175.94 2oef h GLU 251 N 1.11 0.13 0.00 3.99 4.39 -1.97 0.25 114.58 122.48 2oef h GLU 251 Ca -0.41 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.28 2oef h GLU 251 Cb 1.27 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2oef h GLU 251 CO 0.62 0.09 0.00 1.03 -1.16 0.00 0.00 179.01 179.59 2oef h SER 252 N 0.14 0.00 0.11 1.42 0.87 -2.01 -3.16 113.55 110.92 2oef h SER 252 Ca 0.51 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.07 2oef h SER 252 Cb 1.75 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.71 2oef h SER 252 CO -0.09 0.00 -0.72 0.47 -0.53 0.00 0.00 176.83 175.96 2oef n ASP 253 N -2.64 1.14 0.00 6.23 8.00 0.87 -4.47 116.55 125.67 2oef n ASP 253 Ca 0.03 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.57 2oef n ASP 253 Cb 0.37 0.66 0.00 0.00 -0.02 0.00 0.00 41.12 42.13 2oef n ASP 253 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2oef n LYS 254 N -1.08 0.00 -0.08 -1.24 2.85 -1.15 0.34 118.16 117.80 2oef n LYS 254 Ca 0.06 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.24 2oef n LYS 254 Cb 0.36 -1.32 -0.11 0.00 -0.65 0.00 0.00 35.03 33.31 2oef n LYS 254 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2oef n LYS 255 N -0.72 1.45 -1.62 -1.58 2.85 -1.26 -4.29 118.16 112.99 2oef n LYS 255 Ca 0.00 0.01 -0.29 0.00 -1.05 0.00 0.00 58.31 56.98 2oef n LYS 255 Cb 0.00 -1.38 0.12 0.00 -0.65 0.00 0.00 35.03 33.12 2oef n LYS 255 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2oef s GLY 256 N -4.94 1.58 1.32 2.58 0.00 0.15 -4.61 107.32 103.40 2oef s GLY 256 Ca -0.09 -0.53 -0.22 0.00 0.00 0.00 0.00 44.72 43.88 2oef s GLY 256 CO 0.59 0.00 1.02 0.61 0.00 0.00 0.00 173.10 175.33 2oef n GLY 257 N -2.47 -3.18 3.55 0.20 0.00 -1.26 -4.80 105.19 97.23 2oef n GLY 257 Ca 0.07 -1.43 -0.09 0.00 0.00 0.00 0.00 46.02 44.57 2oef n GLY 257 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2oef s HIS 258 N -2.69 -0.06 0.35 1.61 -3.43 -0.96 -4.56 115.29 105.55 2oef s HIS 258 Ca 0.70 -0.30 -0.19 0.00 -0.80 0.00 0.00 55.06 54.47 2oef s HIS 258 Cb -0.09 0.39 -0.10 0.00 -1.43 0.00 0.00 32.58 31.35 2oef s HIS 258 CO 0.55 -0.95 0.84 -1.17 -2.00 0.00 0.00 174.74 172.01 2oef s LEU 259 N -2.90 4.09 0.18 5.38 2.96 -0.09 -1.66 118.68 126.65 2oef s LEU 259 Ca 0.11 1.52 -0.14 0.00 -0.22 0.00 0.00 54.13 55.40 2oef s LEU 259 Cb -0.01 -4.18 0.01 0.00 0.50 0.00 0.00 46.19 42.52 2oef s LEU 259 CO -0.01 -0.21 0.42 0.00 -1.32 0.00 0.00 176.35 175.23 2oef s ALA 260 N -1.95 -0.58 0.11 5.97 0.00 0.24 -4.67 121.76 120.87 2oef s ALA 260 Ca 0.55 -0.46 0.05 0.00 0.00 0.00 0.00 51.96 52.10 2oef s ALA 260 Cb -0.12 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 2oef s ALA 260 CO 0.17 -0.73 0.03 0.50 0.00 0.00 0.00 175.76 175.73 2oef s ARG 261 N -3.90 2.64 -0.08 0.00 3.52 -1.26 -1.26 118.95 118.60 2oef s ARG 261 Ca 0.11 -0.85 -0.13 0.00 -0.13 0.00 0.00 55.73 54.74 2oef s ARG 261 Cb 0.01 -2.57 0.03 0.00 -1.56 0.00 0.00 34.95 30.86 2oef s ARG 261 CO -0.03 0.53 0.32 -1.14 -0.81 0.00 0.00 175.30 174.18 2oef s GLN 262 N -2.50 0.50 -0.18 5.12 0.74 -0.49 -4.36 119.66 118.50 2oef s GLN 262 Ca 0.27 0.20 -0.03 0.00 0.05 0.00 0.00 55.36 55.85 2oef s GLN 262 Cb -0.11 0.23 -0.02 0.00 1.10 0.00 0.00 33.01 34.21 2oef s GLN 262 CO 0.20 -0.10 -0.06 0.99 -0.55 0.00 0.00 175.29 175.76 2oef s THR 263 N -0.43 3.46 0.31 -0.34 2.01 -1.26 0.23 115.64 119.61 2oef s THR 263 Ca -0.06 -0.49 0.11 0.00 0.31 0.00 0.00 61.69 61.56 2oef s THR 263 Cb -0.04 -2.53 -0.05 0.00 0.01 0.00 0.00 72.50 69.89 2oef s THR 263 CO 0.02 0.47 -0.13 0.68 -0.69 0.00 0.00 174.62 174.97 2oef s VAL 264 N 0.83 2.49 -0.15 3.82 -7.23 0.31 -4.97 120.40 115.50 2oef s VAL 264 Ca -0.02 -2.27 -0.02 0.00 -1.81 0.00 0.00 61.98 57.86 2oef s VAL 264 Cb -0.15 -2.50 0.05 0.00 0.56 0.00 0.00 36.38 34.34 2oef s VAL 264 CO 0.01 -0.32 0.01 -0.47 -0.31 0.00 0.00 175.10 174.03 2oef s TYR 265 N -2.53 1.00 -0.13 2.82 5.04 -1.26 0.32 117.35 122.61 2oef s TYR 265 Ca 0.31 -0.66 -0.04 0.00 -2.44 0.00 0.00 57.07 54.24 2oef s TYR 265 Cb -0.02 -0.99 -0.03 0.00 0.35 0.00 0.00 41.96 41.26 2oef s TYR 265 CO 0.16 -0.52 0.01 0.08 -1.34 0.00 0.00 175.55 173.94 2oef s VAL 266 N 1.87 4.33 0.00 3.14 1.01 0.12 -4.94 120.40 125.93 2oef s VAL 266 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.78 2oef s VAL 266 Cb -0.15 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.35 2oef s VAL 266 CO -0.07 0.53 0.56 1.17 0.00 0.00 0.00 175.10 177.29 2oef n LYS 267 N 2.92 0.00 -1.82 2.72 4.81 -1.26 -1.48 118.16 124.04 2oef n LYS 267 Ca -0.18 0.22 -0.02 0.00 -0.87 0.00 0.00 58.31 57.47 2oef n LYS 267 Cb 0.53 -1.11 -0.01 0.00 0.02 0.00 0.00 35.03 34.46 2oef n LYS 267 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2oef n GLY 268 N -0.05 -4.00 3.41 3.14 0.00 -1.26 -2.89 105.19 103.55 2oef n GLY 268 Ca 0.00 0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 2oef n GLY 268 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2oef s LYS 269 N -1.06 3.47 -0.74 1.61 2.47 -1.26 -4.43 119.74 119.80 2oef s LYS 269 Ca -0.08 -0.64 -0.01 0.00 -1.56 0.00 0.00 55.97 53.68 2oef s LYS 269 Cb 0.01 -2.71 0.00 0.00 -1.46 0.00 0.00 37.83 33.66 2oef s LYS 269 CO 0.22 0.22 0.67 -0.25 0.16 0.00 0.00 175.35 176.37 2oef n ASP 270 N 3.52 -7.03 0.00 1.43 8.00 -1.26 -4.77 116.55 116.45 2oef n ASP 270 Ca -0.18 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.05 2oef n ASP 270 Cb 0.53 -4.34 0.00 0.00 -0.02 0.00 0.00 41.12 37.29 2oef n ASP 270 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2oef n GLY 271 N -1.64 -1.55 2.97 0.44 0.00 -1.26 -5.12 105.19 99.03 2oef n GLY 271 Ca -0.08 0.56 -0.13 0.00 0.00 0.00 0.00 46.02 46.38 2oef n GLY 271 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2oef s GLN 272 N 0.00 0.12 1.20 1.61 -2.07 -1.26 -5.16 119.66 114.09 2oef s GLN 272 Ca 0.00 0.23 -0.20 0.00 -1.82 0.00 0.00 55.36 53.57 2oef s GLN 272 Cb 0.00 -0.01 0.31 0.00 -1.09 0.00 0.00 33.01 32.22 2oef s GLN 272 CO 0.00 -0.06 0.71 -0.35 -1.32 0.00 0.00 175.29 174.26 2oef n PRO 273 N 3.39 -4.36 -0.60 9.60 -0.04 -1.26 -4.31 135.00 137.43 2oef n PRO 273 Ca -0.17 -1.19 -0.30 0.00 -0.04 0.00 0.00 63.50 61.80 2oef n PRO 273 Cb 0.57 -1.54 0.20 0.00 -0.04 0.00 0.00 33.50 32.69 2oef n PRO 273 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2oef n ASP 274 N -5.31 -0.55 -3.50 3.54 10.43 -1.14 -4.69 116.55 115.32 2oef n ASP 274 Ca 0.11 0.18 -0.16 0.00 2.57 0.00 0.00 54.79 57.50 2oef n ASP 274 Cb 0.49 -1.38 -0.05 0.00 1.84 0.00 0.00 41.12 42.02 2oef n ASP 274 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2oef s ALA 275 N -2.54 -1.75 -0.28 2.24 0.00 -0.55 -4.98 121.76 113.90 2oef s ALA 275 Ca 0.67 1.15 0.02 0.00 0.00 0.00 0.00 51.96 53.80 2oef s ALA 275 Cb -0.24 0.16 0.08 0.00 0.00 0.00 0.00 23.12 23.12 2oef s ALA 275 CO 0.61 -0.46 -0.01 -2.00 0.00 0.00 0.00 175.76 173.90 2oef s GLU 276 N -1.81 1.56 0.16 0.00 2.12 -1.26 0.15 118.70 119.63 2oef s GLU 276 Ca -0.07 -1.34 0.08 0.00 0.36 0.00 0.00 54.97 54.00 2oef s GLU 276 Cb -0.00 -2.74 -0.04 0.00 0.26 0.00 0.00 34.13 31.60 2oef s GLU 276 CO 0.04 -0.75 -0.05 0.15 -0.54 0.00 0.00 175.26 174.10 2oef s LYS 277 N 1.22 2.22 -0.31 4.30 1.02 0.15 -4.93 119.74 123.42 2oef s LYS 277 Ca 0.01 -1.15 -0.07 0.00 0.02 0.00 0.00 55.97 54.78 2oef s LYS 277 Cb -0.19 -2.27 0.01 0.00 -0.52 0.00 0.00 37.83 34.86 2oef s LYS 277 CO -0.09 0.46 0.09 0.50 -0.92 0.00 0.00 175.35 175.39 2oef s ARG 278 N -2.77 3.02 0.49 1.68 3.52 -1.26 0.11 118.95 123.75 2oef s ARG 278 Ca 0.25 -0.91 0.07 0.00 -0.13 0.00 0.00 55.73 55.02 2oef s ARG 278 Cb -0.09 -3.41 0.02 0.00 -1.56 0.00 0.00 34.95 29.90 2oef s ARG 278 CO 0.16 -0.49 0.44 0.14 -0.81 0.00 0.00 175.30 174.74 2oef s VAL 279 N 1.49 2.17 -0.02 7.11 -7.23 0.14 -4.94 120.40 119.12 2oef s VAL 279 Ca 0.02 -1.37 0.07 0.00 -1.81 0.00 0.00 61.98 58.89 2oef s VAL 279 Cb -0.18 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 2oef s VAL 279 CO 0.03 0.00 -0.23 -0.22 -0.31 0.00 0.00 175.10 174.37 2oef s LEU 280 N -4.26 2.22 0.31 1.32 2.96 -1.26 -1.40 118.68 118.57 2oef s LEU 280 Ca 0.44 -0.43 -0.06 0.00 -0.22 0.00 0.00 54.13 53.86 2oef s LEU 280 Cb -0.03 -1.38 0.00 0.00 0.50 0.00 0.00 46.19 45.28 2oef s LEU 280 CO 0.26 0.32 0.48 -1.48 -1.32 0.00 0.00 176.35 174.61 2oef s LEU 281 N -0.74 0.74 0.04 -0.68 2.34 -0.39 -3.09 118.68 116.91 2oef s LEU 281 Ca 0.11 -1.29 0.07 0.00 0.06 0.00 0.00 54.13 53.07 2oef s LEU 281 Cb -0.10 1.59 -0.03 0.00 -0.56 0.00 0.00 46.19 47.09 2oef s LEU 281 CO -0.00 -1.26 -0.19 -0.22 -1.06 0.00 0.00 176.35 173.63 2oef s LEU 282 N -3.16 2.58 -0.11 1.48 2.96 -1.26 -0.59 118.68 120.57 2oef s LEU 282 Ca 0.28 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 53.75 2oef s LEU 282 Cb -0.00 -1.50 0.03 0.00 0.50 0.00 0.00 46.19 45.21 2oef s LEU 282 CO 0.16 0.26 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.79 2oef s ARG 283 N -1.40 1.31 0.68 1.98 3.52 -0.66 -4.96 118.95 119.41 2oef s ARG 283 Ca 0.14 -0.21 -0.03 0.00 -0.13 0.00 0.00 55.73 55.50 2oef s ARG 283 Cb -0.10 -1.52 0.08 0.00 -1.56 0.00 0.00 34.95 31.85 2oef s ARG 283 CO 0.05 -0.30 0.95 -1.21 -0.81 0.00 0.00 175.30 173.98 2oef s GLU 284 N 1.76 2.05 0.17 5.12 0.41 -1.26 -2.27 118.70 124.68 2oef s GLU 284 Ca 0.04 -0.69 -0.11 0.00 -0.41 0.00 0.00 54.97 53.81 2oef s GLU 284 Cb -0.13 -2.30 0.07 0.00 -1.78 0.00 0.00 34.13 29.99 2oef s GLU 284 CO -0.08 -1.21 1.67 0.66 -0.49 0.00 0.00 175.26 175.81 2oef h SER 285 N -0.43 0.95 -0.50 -0.19 4.64 -1.87 -3.08 113.55 113.07 2oef h SER 285 Ca -0.41 -0.26 0.09 0.00 -0.47 0.00 0.00 61.79 60.74 2oef h SER 285 Cb 1.29 -0.25 -0.10 0.00 -0.31 0.00 0.00 62.40 63.03 2oef h SER 285 CO 0.50 0.96 -0.36 0.00 -0.87 0.00 0.00 176.83 177.06 2oef h ALA 286 N 1.02 -0.19 0.00 5.18 0.00 -1.95 0.10 119.26 123.42 2oef h ALA 286 Ca 0.18 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2oef h ALA 286 Cb 0.41 0.80 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2oef h ALA 286 CO 0.01 -0.75 0.00 1.04 0.00 0.00 0.00 179.25 179.55 2oef n GLN 287 N -5.42 0.54 -3.89 0.00 6.02 -1.17 -4.73 117.38 108.73 2oef n GLN 287 Ca 0.02 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.65 2oef n GLN 287 Cb 0.35 -1.34 -0.12 0.00 1.02 0.00 0.00 30.24 30.15 2oef n GLN 287 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2oef s PRO 289 N 1.21 4.41 0.59 0.00 0.04 -1.26 -4.89 135.00 135.10 2oef s PRO 289 Ca 0.04 2.03 0.15 0.00 0.04 0.00 0.00 61.00 63.26 2oef s PRO 289 Cb -0.14 -3.20 0.84 0.00 0.04 0.00 0.00 34.50 32.04 2oef s PRO 289 CO 0.03 -0.21 1.44 1.57 0.04 0.00 0.00 177.00 179.86 2oef h LYS 290 N 5.23 0.00 -0.03 4.56 2.10 -1.97 0.53 116.57 127.00 2oef h LYS 290 Ca -0.45 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.08 2oef h LYS 290 Cb 1.21 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.53 2oef h LYS 290 CO 0.76 0.00 -0.54 0.00 -2.00 0.00 0.00 179.45 177.67 2oef h ALA 291 N 0.78 1.04 -2.91 0.07 0.00 -2.05 -3.40 119.26 112.80 2oef h ALA 291 Ca 0.00 -0.50 -0.70 0.00 0.00 0.00 0.00 54.91 53.71 2oef h ALA 291 Cb 1.15 -0.09 -0.36 0.00 0.00 0.00 0.00 17.79 18.50 2oef h ALA 291 CO 0.00 0.68 -0.15 -0.51 0.00 0.00 0.00 179.25 179.27 2oef s ASP 292 N -6.88 5.84 0.00 0.00 1.01 0.19 -4.81 116.67 112.02 2oef s ASP 292 Ca -0.03 -3.59 0.00 0.00 0.71 0.00 0.00 52.55 49.65 2oef s ASP 292 Cb 0.13 -1.89 0.00 0.00 1.01 0.00 0.00 42.92 42.17 2oef s ASP 292 CO 0.76 -0.21 0.00 1.21 0.21 0.00 0.00 175.17 177.14 2oef n GLU 294 N 2.50 0.00 -0.24 8.23 2.13 -1.26 -0.49 120.64 131.51 2oef n GLU 294 Ca 0.19 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.99 2oef n GLU 294 Cb 0.37 0.00 0.16 0.00 0.27 0.00 0.00 31.44 32.24 2oef n GLU 294 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2oef h SER 295 N 0.00 0.96 -0.19 4.31 0.87 -1.95 -2.04 113.55 115.51 2oef h SER 295 Ca 0.00 -0.09 0.05 0.00 -1.23 0.00 0.00 61.79 60.52 2oef h SER 295 Cb 0.00 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 2oef h SER 295 CO 0.00 0.79 0.14 0.15 -0.53 0.00 0.00 176.83 177.38 2oef h PHE 296 N 1.07 0.00 -0.01 2.24 3.57 -1.18 -1.69 116.94 120.93 2oef h PHE 296 Ca 0.26 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.76 2oef h PHE 296 Cb 0.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.81 2oef h PHE 296 CO 0.01 0.00 -0.45 1.04 -2.23 0.00 0.00 178.31 176.68 2oef n GLN 297 N -4.41 0.62 -2.03 1.11 6.02 -0.79 -4.73 117.38 113.17 2oef n GLN 297 Ca 0.02 -0.42 -0.32 0.00 -0.01 0.00 0.00 57.00 56.27 2oef n GLN 297 Cb 0.28 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.99 2oef n GLN 297 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2oef n ASP 298 N -0.82 3.25 0.00 1.08 4.64 -0.64 -4.75 116.55 119.32 2oef n ASP 298 Ca 0.09 -2.72 0.00 0.00 -1.38 0.00 0.00 54.79 50.78 2oef n ASP 298 Cb 0.37 -1.68 0.00 0.00 -1.04 0.00 0.00 41.12 38.77 2oef n ASP 298 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 2oef n ILE 299 N 7.44 0.74 0.20 5.18 -5.35 -1.26 0.41 119.36 126.72 2oef n ILE 299 Ca 0.46 0.29 0.11 0.00 -0.27 0.00 0.00 62.75 63.34 2oef n ILE 299 Cb 0.46 -1.29 -0.05 0.00 -1.74 0.00 0.00 39.64 37.02 2oef n ILE 299 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2oef n ASN 300 N -1.11 0.50 -0.08 7.28 3.02 -1.26 -3.35 115.26 120.27 2oef n ASN 300 Ca 0.00 0.06 -0.07 0.00 -0.03 0.00 0.00 54.58 54.53 2oef n ASN 300 Cb 0.10 1.07 -0.03 0.00 -0.61 0.00 0.00 39.78 40.31 2oef n ASN 300 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2oef n LYS 301 N -2.33 0.47 -3.50 3.52 4.81 0.17 -4.62 118.16 116.68 2oef n LYS 301 Ca -0.01 0.53 -0.42 0.00 -0.87 0.00 0.00 58.31 57.54 2oef n LYS 301 Cb 0.52 -1.70 -0.05 0.00 0.02 0.00 0.00 35.03 33.82 2oef n LYS 301 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2oef s TYR 302 N -2.27 3.61 -1.29 5.64 1.51 -0.98 -4.62 117.35 118.94 2oef s TYR 302 Ca -0.17 -2.29 0.15 0.00 -1.01 0.00 0.00 57.07 53.74 2oef s TYR 302 Cb 0.03 -3.55 0.57 0.00 -0.11 0.00 0.00 41.96 38.90 2oef s TYR 302 CO 0.28 -0.93 1.45 -1.13 -1.11 0.00 0.00 175.55 174.11 2oef n SER 303 N 3.77 3.84 -4.05 2.29 3.41 -1.21 -4.35 113.62 117.33 2oef n SER 303 Ca 0.11 -2.33 -0.19 0.00 -0.26 0.00 0.00 58.87 56.20 2oef n SER 303 Cb 0.43 -0.51 -0.15 0.00 -0.26 0.00 0.00 64.21 63.73 2oef n SER 303 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2oef s PHE 304 N -1.74 0.92 0.10 7.33 2.99 -1.26 0.16 117.98 126.48 2oef s PHE 304 Ca 0.41 -0.18 0.05 0.00 0.00 0.00 0.00 56.93 57.21 2oef s PHE 304 Cb 0.26 -0.59 -0.03 0.00 0.00 0.00 0.00 43.02 42.66 2oef s PHE 304 CO 0.20 -0.01 -0.14 -0.59 -0.00 0.00 0.00 175.22 174.68 2oef s PHE 305 N -0.27 1.29 0.04 0.36 -0.12 -0.82 -0.91 117.98 117.55 2oef s PHE 305 Ca 0.04 -0.52 -0.30 0.00 -0.05 0.00 0.00 56.93 56.09 2oef s PHE 305 Cb -0.04 -0.70 -0.06 0.00 -0.63 0.00 0.00 43.02 41.59 2oef s PHE 305 CO -0.00 0.09 1.26 1.21 -0.05 0.00 0.00 175.22 177.73 2oef s ASN 306 N -2.11 7.00 0.09 1.98 2.47 -1.26 -2.24 114.94 120.87 2oef s ASN 306 Ca 0.04 2.05 0.24 0.00 0.42 0.00 0.00 52.86 55.61 2oef s ASN 306 Cb -0.07 -2.57 0.38 0.00 -1.45 0.00 0.00 41.25 37.54 2oef s ASN 306 CO 0.02 -0.56 1.34 0.35 -3.72 0.00 0.00 177.10 174.54 2oef n THR 307 N 4.15 0.28 -1.19 -5.21 -2.24 -1.01 -4.93 114.28 104.14 2oef n THR 307 Ca 0.10 -0.22 -0.06 0.00 -2.27 0.00 0.00 64.05 61.60 2oef n THR 307 Cb 0.45 -0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.59 2oef n THR 307 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2oef n ASN 308 N -1.99 -3.79 -4.34 3.42 3.02 -1.26 -4.87 115.26 105.45 2oef n ASN 308 Ca 0.04 0.16 -0.45 0.00 -0.03 0.00 0.00 54.58 54.29 2oef n ASN 308 Cb 0.42 -1.85 -0.06 0.00 -0.61 0.00 0.00 39.78 37.68 2oef n ASN 308 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2oef s ASN 309 N -2.91 6.17 0.10 6.41 0.01 -1.26 -4.01 114.94 119.46 2oef s ASN 309 Ca 0.00 -1.59 0.08 0.00 -0.71 0.00 0.00 52.86 50.64 2oef s ASN 309 Cb 0.00 -2.20 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 2oef s ASN 309 CO 0.00 -0.79 -0.15 -0.76 -1.51 0.00 0.00 177.10 173.89 2oef s LEU 310 N 1.67 2.83 -0.13 0.60 2.01 0.04 -1.61 118.68 124.10 2oef s LEU 310 Ca 0.04 -0.48 -0.00 0.00 0.01 0.00 0.00 54.13 53.70 2oef s LEU 310 Cb -0.27 -1.66 0.02 0.00 0.01 0.00 0.00 46.19 44.29 2oef s LEU 310 CO 0.05 0.19 -0.10 0.26 1.01 0.00 0.00 176.35 177.75 2oef s TRP 311 N -1.15 1.76 0.00 0.29 0.52 -0.18 -0.40 118.94 119.78 2oef s TRP 311 Ca 0.19 -0.94 0.06 0.00 0.02 0.00 0.00 56.10 55.43 2oef s TRP 311 Cb -0.11 -1.38 -0.02 0.00 -1.15 0.00 0.00 33.47 30.82 2oef s TRP 311 CO 0.11 -0.58 -0.17 0.42 0.02 0.00 0.00 176.95 176.75 2oef s ILE 312 N 1.62 1.38 -0.64 2.03 1.01 -1.26 -0.07 121.20 125.27 2oef s ILE 312 Ca 0.05 -0.83 -0.24 0.00 0.00 0.00 0.00 60.65 59.63 2oef s ILE 312 Cb -0.13 -1.16 0.05 0.00 0.01 0.00 0.00 42.46 41.23 2oef s ILE 312 CO -0.09 0.32 1.01 -0.60 0.00 0.00 0.00 174.94 175.58 2oef s ARG 313 N -0.60 3.20 0.24 2.79 3.52 0.41 -4.32 118.95 124.20 2oef s ARG 313 Ca 0.06 -0.54 -0.07 0.00 -0.13 0.00 0.00 55.73 55.05 2oef s ARG 313 Cb -0.07 -4.16 0.43 0.00 -1.56 0.00 0.00 34.95 29.59 2oef s ARG 313 CO -0.00 -1.77 1.64 -0.07 -0.81 0.00 0.00 175.30 174.29 2oef h LEU 314 N 11.53 -0.32 -0.58 -0.88 3.38 -0.79 -2.03 115.31 125.62 2oef h LEU 314 Ca -0.28 0.19 0.08 0.00 0.09 0.00 0.00 57.88 57.96 2oef h LEU 314 Cb 1.07 0.33 -0.07 0.00 0.09 0.00 0.00 40.66 42.08 2oef h LEU 314 CO 1.17 -0.17 0.23 -0.65 0.09 0.00 0.00 178.44 179.11 2oef h PRO 315 N 0.11 0.41 -0.57 1.13 0.11 -1.80 0.20 132.00 131.59 2oef h PRO 315 Ca 0.41 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.42 2oef h PRO 315 Cb 0.71 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.71 2oef h PRO 315 CO -0.65 0.27 0.08 0.28 -0.21 0.00 0.00 178.00 177.77 2oef h VAL 316 N 0.42 1.26 -0.23 3.15 2.07 -1.78 -1.55 116.25 119.58 2oef h VAL 316 Ca 0.28 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.83 2oef h VAL 316 Cb 0.32 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2oef h VAL 316 CO -0.27 0.36 0.08 0.25 0.02 0.00 0.00 177.57 178.01 2oef h LEU 317 N 0.85 0.09 -0.04 2.57 5.85 -0.67 -0.11 115.31 123.85 2oef h LEU 317 Ca 0.17 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.93 2oef h LEU 317 Cb 0.44 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2oef h LEU 317 CO 0.01 0.08 -0.06 0.25 -0.34 0.00 0.00 178.44 178.38 2oef h LEU 318 N 0.19 -0.18 -0.01 2.25 6.46 -0.75 -3.01 115.31 120.25 2oef h LEU 318 Ca 0.10 0.03 0.03 0.00 -0.12 0.00 0.00 57.88 57.92 2oef h LEU 318 Cb 0.07 0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.05 2oef h LEU 318 CO -0.10 -0.09 -0.16 -0.08 -0.62 0.00 0.00 178.44 177.39 2oef h GLU 319 N -0.09 -0.25 -1.74 1.25 4.81 -0.89 -0.07 114.58 117.60 2oef h GLU 319 Ca 0.04 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2oef h GLU 319 Cb 0.14 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2oef h GLU 319 CO -0.09 -0.17 0.00 0.25 -0.73 0.00 0.00 179.01 178.27 2oef n THR 320 N -5.29 0.00 0.00 0.32 -2.24 -0.09 -0.70 114.28 106.28 2oef n THR 320 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2oef n THR 320 Cb 0.21 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 2oef n THR 320 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oef n GLN 322 N 0.92 0.00 0.25 -0.78 6.02 -0.04 -2.07 117.38 121.67 2oef n GLN 322 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 57.00 57.16 2oef n GLN 322 Cb 0.00 0.00 0.74 0.00 1.02 0.00 0.00 30.24 32.00 2oef n GLN 322 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2oef h GLU 323 N 0.00 0.00 -0.57 -1.09 4.39 -1.17 -2.62 114.58 113.52 2oef h GLU 323 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2oef h GLU 323 Cb 0.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 2oef h GLU 323 CO 0.00 0.00 0.06 0.72 -1.16 0.00 0.00 179.01 178.63 2oef n HIS 324 N -2.83 2.02 -2.58 4.33 8.25 -0.88 -4.92 115.22 118.60 2oef n HIS 324 Ca 0.00 -0.88 -0.04 0.00 -0.26 0.00 0.00 57.72 56.54 2oef n HIS 324 Cb 0.22 -0.53 0.02 0.00 1.12 0.00 0.00 29.99 30.82 2oef n HIS 324 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2oef n GLY 325 N 0.26 0.54 3.48 -1.41 0.00 -0.99 -3.93 105.19 103.14 2oef n GLY 325 Ca 0.30 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 2oef n GLY 325 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oef n GLY 326 N -0.87 -0.35 3.74 -0.02 0.00 -1.25 -4.99 105.19 101.45 2oef n GLY 326 Ca -0.02 0.11 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 2oef n GLY 326 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2oef s THR 327 N -3.42 0.00 -0.28 2.61 -1.32 -1.25 -4.84 115.64 107.15 2oef s THR 327 Ca 0.01 -0.66 -0.00 0.00 -1.21 0.00 0.00 61.69 59.83 2oef s THR 327 Cb -0.00 -1.87 0.08 0.00 -1.51 0.00 0.00 72.50 69.20 2oef s THR 327 CO 0.75 0.00 0.05 -0.22 -2.21 0.00 0.00 174.62 172.98 2oef s LEU 328 N -2.89 2.44 -1.08 9.08 2.96 -1.26 -4.49 118.68 123.43 2oef s LEU 328 Ca 0.11 -1.45 -0.23 0.00 -0.22 0.00 0.00 54.13 52.33 2oef s LEU 328 Cb -0.02 -0.98 -0.13 0.00 0.50 0.00 0.00 46.19 45.55 2oef s LEU 328 CO 0.02 -0.35 1.95 -0.81 -1.32 0.00 0.00 176.35 175.84 2oef n PRO 329 N 4.77 1.32 -3.30 0.98 -0.04 -1.26 -4.94 135.00 132.52 2oef n PRO 329 Ca -0.05 -2.24 -0.34 0.00 -0.04 0.00 0.00 63.50 60.84 2oef n PRO 329 Cb 0.43 -3.62 -0.06 0.00 -0.04 0.00 0.00 33.50 30.21 2oef n PRO 329 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2oef s LEU 330 N 10.38 4.24 0.21 1.53 1.43 -1.26 -5.00 118.68 130.21 2oef s LEU 330 Ca 0.69 1.11 -0.32 0.00 -1.03 0.00 0.00 54.13 54.58 2oef s LEU 330 Cb 0.01 -3.58 -0.12 0.00 0.03 0.00 0.00 46.19 42.54 2oef s LEU 330 CO 0.15 -0.01 1.72 -2.16 0.23 0.00 0.00 176.35 176.28 2oef s PRO 331 N -2.39 4.12 0.42 1.29 0.04 -1.26 -4.94 135.00 132.29 2oef s PRO 331 Ca 0.44 2.61 -0.23 0.00 0.04 0.00 0.00 61.00 63.86 2oef s PRO 331 Cb -0.13 -3.08 -0.08 0.00 0.04 0.00 0.00 34.50 31.25 2oef s PRO 331 CO 0.20 -0.75 1.08 0.54 0.04 0.00 0.00 177.00 178.10 2oef s VAL 332 N 1.18 3.56 -0.17 -0.36 0.11 -1.26 -4.70 120.40 118.76 2oef s VAL 332 Ca 0.75 1.16 -0.02 0.00 -2.93 0.00 0.00 61.98 60.94 2oef s VAL 332 Cb -0.50 -3.59 -0.01 0.00 -1.53 0.00 0.00 36.38 30.76 2oef s VAL 332 CO 0.32 -0.02 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.34 2oef s ILE 333 N -1.66 3.14 -0.70 7.04 1.01 0.10 -4.84 121.20 125.29 2oef s ILE 333 Ca 0.60 -0.61 -0.14 0.00 0.00 0.00 0.00 60.65 60.51 2oef s ILE 333 Cb -0.23 -2.36 0.18 0.00 0.01 0.00 0.00 42.46 40.06 2oef s ILE 333 CO 0.29 0.49 0.63 -0.60 0.00 0.00 0.00 174.94 175.75 2oef s ARG 334 N 0.81 3.26 -0.05 2.79 3.52 -1.26 -2.01 118.95 126.02 2oef s ARG 334 Ca -0.03 -2.19 -0.30 0.00 -0.13 0.00 0.00 55.73 53.08 2oef s ARG 334 Cb -0.15 -4.31 -0.03 0.00 -1.56 0.00 0.00 34.95 28.90 2oef s ARG 334 CO 0.01 -1.29 1.11 -0.80 -0.81 0.00 0.00 175.30 173.52 2oef s ASN 335 N 2.54 7.15 -0.21 -2.12 -0.87 -0.42 -4.86 114.94 116.16 2oef s ASN 335 Ca 0.12 1.74 -0.12 0.00 -1.57 0.00 0.00 52.86 53.03 2oef s ASN 335 Cb -0.18 -2.56 -0.05 0.00 -0.02 0.00 0.00 41.25 38.44 2oef s ASN 335 CO -0.04 -0.49 0.22 -1.61 -2.57 0.00 0.00 177.10 172.61 2oef s GLU 336 N 1.85 4.15 0.06 -0.60 2.02 -1.26 0.22 118.70 125.14 2oef s GLU 336 Ca 0.53 -0.11 -0.02 0.00 0.02 0.00 0.00 54.97 55.40 2oef s GLU 336 Cb -0.23 -3.50 0.01 0.00 0.10 0.00 0.00 34.13 30.51 2oef s GLU 336 CO 0.22 0.12 0.11 1.63 0.02 0.00 0.00 175.26 177.37 2oef n LYS 337 N 4.05 0.16 -4.35 1.61 4.76 -0.79 -4.99 118.16 118.60 2oef n LYS 337 Ca -0.13 -0.42 -0.29 0.00 -2.87 0.00 0.00 58.31 54.60 2oef n LYS 337 Cb 0.52 0.46 -0.12 0.00 -1.84 0.00 0.00 35.03 34.05 2oef n LYS 337 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2oef s THR 338 N -2.70 2.56 0.22 -0.18 -4.23 -1.26 -0.08 115.64 109.97 2oef s THR 338 Ca 0.04 -1.68 -0.12 0.00 -1.18 0.00 0.00 61.69 58.75 2oef s THR 338 Cb -0.01 -2.17 0.25 0.00 1.34 0.00 0.00 72.50 71.92 2oef s THR 338 CO 0.03 0.06 1.63 0.58 -0.54 0.00 0.00 174.62 176.37 2oef h VAL 339 N 3.60 0.35 -3.58 2.29 2.07 -1.40 -3.30 116.25 116.28 2oef h VAL 339 Ca -0.50 -0.01 -0.71 0.00 0.82 0.00 0.00 66.70 66.31 2oef h VAL 339 Cb 1.18 0.33 -0.26 0.00 -1.52 0.00 0.00 31.29 31.01 2oef h VAL 339 CO 0.44 0.00 -0.52 -0.62 0.02 0.00 0.00 177.57 176.89 2oef s ASP 340 N -5.23 5.65 0.35 0.57 -1.08 -1.26 -4.80 116.67 110.88 2oef s ASP 340 Ca -0.14 -1.11 0.12 0.00 -0.52 0.00 0.00 52.55 50.90 2oef s ASP 340 Cb 0.20 -1.99 0.91 0.00 -1.46 0.00 0.00 42.92 40.58 2oef s ASP 340 CO 0.74 -0.40 1.79 0.77 0.52 0.00 0.00 175.17 178.59 2oef h SER 341 N 8.40 0.61 0.00 -0.34 4.64 -1.98 -0.27 113.55 124.61 2oef h SER 341 Ca -0.25 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2oef h SER 341 Cb 1.10 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2oef h SER 341 CO 0.67 0.20 0.00 -1.20 -0.87 0.00 0.00 176.83 175.63 2oef n SER 342 N -4.67 1.07 -3.24 4.97 7.64 -1.26 -4.56 113.62 113.57 2oef n SER 342 Ca 0.23 -1.98 -0.03 0.00 1.01 0.00 0.00 58.87 58.10 2oef n SER 342 Cb 0.68 -0.49 -0.03 0.00 -1.01 0.00 0.00 64.21 63.35 2oef n SER 342 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2oef s ASN 343 N 0.03 -0.51 0.18 6.43 3.04 -0.11 -5.00 114.94 119.00 2oef s ASN 343 Ca 0.00 -0.20 0.12 0.00 0.04 0.00 0.00 52.86 52.82 2oef s ASN 343 Cb 0.00 1.51 0.66 0.00 -1.54 0.00 0.00 41.25 41.88 2oef s ASN 343 CO 0.00 -0.32 1.38 -1.54 -3.04 0.00 0.00 177.10 173.57 2oef n SER 344 N 5.31 0.31 -0.20 -4.21 3.41 -1.26 -1.05 113.62 115.93 2oef n SER 344 Ca 0.03 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 2oef n SER 344 Cb 0.51 -0.68 0.15 0.00 -0.26 0.00 0.00 64.21 63.93 2oef n SER 344 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2oef n ALA 345 N -1.65 3.66 -1.75 7.33 0.00 -1.26 -4.94 120.51 121.90 2oef n ALA 345 Ca -0.01 -0.49 -0.35 0.00 0.00 0.00 0.00 53.44 52.59 2oef n ALA 345 Cb 0.03 -0.97 -0.00 0.00 0.00 0.00 0.00 19.45 18.51 2oef n ALA 345 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2oef s SER 346 N -2.71 5.80 -0.04 0.00 1.04 -0.21 -4.91 113.70 112.66 2oef s SER 346 Ca 0.16 2.10 -0.39 0.00 0.48 0.00 0.00 55.95 58.31 2oef s SER 346 Cb 0.18 -2.57 -0.18 0.00 0.10 0.00 0.00 66.02 63.55 2oef s SER 346 CO 0.65 -1.16 1.34 -2.65 0.98 0.00 0.00 173.24 172.40 2oef n PRO 347 N -1.34 0.72 -2.14 4.02 -0.02 -1.26 -4.48 135.00 130.50 2oef n PRO 347 Ca 0.11 0.26 -0.40 0.00 -2.02 0.00 0.00 63.50 61.45 2oef n PRO 347 Cb 0.51 -1.86 -0.02 0.00 -0.02 0.00 0.00 33.50 32.12 2oef n PRO 347 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2oef s LYS 348 N 0.99 4.26 0.25 -0.52 1.02 -1.26 -1.26 119.74 123.21 2oef s LYS 348 Ca 0.90 2.14 -0.02 0.00 0.02 0.00 0.00 55.97 59.02 2oef s LYS 348 Cb -1.11 -2.97 -0.03 0.00 -0.52 0.00 0.00 37.83 33.20 2oef s LYS 348 CO 0.55 -0.24 0.25 0.14 -0.92 0.00 0.00 175.35 175.14 2oef s VAL 349 N -1.19 0.00 -0.06 3.17 -7.23 0.89 -2.56 120.40 113.42 2oef s VAL 349 Ca 0.51 -1.86 0.05 0.00 -1.81 0.00 0.00 61.98 58.87 2oef s VAL 349 Cb -0.38 -2.46 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 2oef s VAL 349 CO 0.50 0.00 -0.20 -0.31 -0.31 0.00 0.00 175.10 174.79 2oef s TYR 350 N -3.89 2.57 -0.23 2.82 4.12 0.14 -1.89 117.35 120.99 2oef s TYR 350 Ca 0.36 -0.44 0.01 0.00 0.02 0.00 0.00 57.07 57.01 2oef s TYR 350 Cb 0.04 -1.62 0.03 0.00 -1.52 0.00 0.00 41.96 38.89 2oef s TYR 350 CO 0.15 -0.03 -0.12 -0.65 0.02 0.00 0.00 175.55 174.92 2oef s GLN 351 N -0.40 2.70 -0.11 -0.62 -0.21 0.13 -1.68 119.66 119.49 2oef s GLN 351 Ca 0.04 -1.04 -0.25 0.00 0.02 0.00 0.00 55.36 54.12 2oef s GLN 351 Cb -0.12 -2.81 -0.02 0.00 1.00 0.00 0.00 33.01 31.05 2oef s GLN 351 CO 0.02 -0.39 0.81 -0.51 -2.12 0.00 0.00 175.29 173.10 2oef s LEU 352 N 1.24 4.25 0.19 2.90 1.43 -1.26 -1.31 118.68 126.13 2oef s LEU 352 Ca -0.01 1.25 -0.08 0.00 -1.03 0.00 0.00 54.13 54.26 2oef s LEU 352 Cb -0.16 -3.23 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 2oef s LEU 352 CO -0.08 -0.28 0.28 -1.83 0.23 0.00 0.00 176.35 174.68 2oef s GLU 353 N 1.51 1.24 0.05 1.70 -1.05 -0.85 -4.55 118.70 116.75 2oef s GLU 353 Ca 0.40 -1.30 -0.00 0.00 -0.15 0.00 0.00 54.97 53.91 2oef s GLU 353 Cb -0.18 0.37 -0.04 0.00 -0.44 0.00 0.00 34.13 33.84 2oef s GLU 353 CO 0.17 -0.46 -0.03 0.95 0.95 0.00 0.00 175.26 176.84 2oef s THR 354 N -4.02 0.26 0.00 1.83 -4.23 -0.73 0.03 115.64 108.77 2oef s THR 354 Ca 0.23 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 2oef s THR 354 Cb 0.03 -1.29 0.00 0.00 1.34 0.00 0.00 72.50 72.58 2oef s THR 354 CO 0.05 -0.88 0.00 0.00 -0.54 0.00 0.00 174.62 173.24 2oef n ALA 355 N 0.39 0.00 0.00 3.99 0.00 -1.26 -0.70 120.51 122.92 2oef n ALA 355 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2oef n ALA 355 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2oef n ALA 355 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oef n GLY 357 N 5.00 0.00 0.30 0.00 0.00 -1.26 -4.12 105.19 105.11 2oef n GLY 357 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 2oef n GLY 357 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oef h ALA 358 N 0.00 1.30 0.00 4.61 0.00 -1.97 -2.47 119.26 120.74 2oef h ALA 358 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2oef h ALA 358 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2oef h ALA 358 CO 0.00 0.03 0.06 0.00 0.00 0.00 0.00 179.25 179.33 2oef h ALA 359 N 1.98 1.06 -0.29 0.00 0.00 -1.98 -2.39 119.26 117.64 2oef h ALA 359 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2oef h ALA 359 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2oef h ALA 359 CO 0.00 -0.06 0.33 0.97 0.00 0.00 0.00 179.25 180.49 2oef h ILE 360 N 0.00 0.40 -0.30 0.00 2.10 -1.74 -3.33 117.51 114.64 2oef h ILE 360 Ca 0.00 0.00 -0.47 0.00 1.08 0.00 0.00 64.86 65.47 2oef h ILE 360 Cb 0.12 0.74 -0.06 0.00 -1.09 0.00 0.00 36.82 36.53 2oef h ILE 360 CO 0.00 0.00 1.51 0.00 -1.08 0.00 0.00 178.15 178.58 2oef n ALA 361 N -2.32 6.85 0.00 0.18 0.00 -0.90 -4.61 120.51 119.71 2oef n ALA 361 Ca 0.04 -2.86 0.00 0.00 0.00 0.00 0.00 53.44 50.62 2oef n ALA 361 Cb 0.47 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 17.21 2oef n ALA 361 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2oef n PHE 363 N 2.53 0.00 -0.09 0.00 3.01 -1.25 -4.90 117.46 116.76 2oef n PHE 363 Ca 0.58 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.96 2oef n PHE 363 Cb 0.55 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 40.09 2oef n PHE 363 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2oef h GLU 364 N 0.00 0.79 -2.04 -1.08 5.08 -1.98 -3.10 114.58 112.26 2oef h GLU 364 Ca 0.00 -0.34 -0.68 0.00 -1.00 0.00 0.00 59.36 57.34 2oef h GLU 364 Cb 0.00 -0.03 -0.23 0.00 0.50 0.00 0.00 28.75 28.99 2oef h GLU 364 CO 0.00 0.96 0.88 0.43 -1.00 0.00 0.00 179.01 180.28 2oef n SER 365 N -4.10 7.17 -4.90 1.42 7.64 -1.26 -4.96 113.62 114.63 2oef n SER 365 Ca -0.00 -3.58 -0.32 0.00 1.01 0.00 0.00 58.87 55.98 2oef n SER 365 Cb 0.46 -1.14 -0.05 0.00 -1.01 0.00 0.00 64.21 62.47 2oef n SER 365 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2oef s ALA 366 N -3.15 3.86 0.25 -0.43 0.00 -1.17 -1.00 121.76 120.12 2oef s ALA 366 Ca 0.54 -0.64 -0.11 0.00 0.00 0.00 0.00 51.96 51.74 2oef s ALA 366 Cb 0.40 -2.03 -0.01 0.00 0.00 0.00 0.00 23.12 21.48 2oef s ALA 366 CO -0.32 0.71 0.46 0.45 0.00 0.00 0.00 175.76 177.06 2oef s SER 367 N -2.34 0.01 0.03 0.00 0.15 0.31 -4.97 113.70 106.88 2oef s SER 367 Ca 0.37 -1.01 0.03 0.00 0.70 0.00 0.00 55.95 56.04 2oef s SER 367 Cb -0.13 0.58 -0.02 0.00 -1.71 0.00 0.00 66.02 64.75 2oef s SER 367 CO 0.24 -1.14 -0.10 0.00 1.20 0.00 0.00 173.24 173.45 2oef s ALA 368 N -3.92 0.77 -0.03 5.45 0.00 -1.26 -4.06 121.76 118.71 2oef s ALA 368 Ca 0.24 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.59 2oef s ALA 368 Cb -0.00 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.03 2oef s ALA 368 CO 0.10 0.11 -0.08 -1.50 0.00 0.00 0.00 175.76 174.40 2oef s ILE 369 N -0.80 0.72 -0.06 0.00 2.07 -1.26 -4.47 121.20 117.40 2oef s ILE 369 Ca -0.02 -0.30 -0.30 0.00 -1.41 0.00 0.00 60.65 58.62 2oef s ILE 369 Cb -0.07 -0.66 -0.03 0.00 0.13 0.00 0.00 42.46 41.84 2oef s ILE 369 CO 0.01 0.24 1.10 -0.69 -1.91 0.00 0.00 174.94 173.68 2oef s VAL 370 N 0.36 4.51 0.19 4.00 1.01 -0.38 -0.71 120.40 129.37 2oef s VAL 370 Ca -0.05 1.80 0.09 0.00 0.00 0.00 0.00 61.98 63.82 2oef s VAL 370 Cb -0.10 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2oef s VAL 370 CO 0.01 0.03 -0.18 0.68 0.00 0.00 0.00 175.10 175.63 2oef s VAL 371 N 1.93 1.94 0.62 2.92 -7.23 0.74 -0.95 120.40 120.37 2oef s VAL 371 Ca 0.53 -2.05 -0.17 0.00 -1.81 0.00 0.00 61.98 58.48 2oef s VAL 371 Cb -0.22 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.73 2oef s VAL 371 CO 0.21 -0.36 1.16 -2.16 -0.31 0.00 0.00 175.10 173.64 2oef s PRO 372 N -3.04 2.89 0.57 4.82 0.04 -1.26 -4.44 135.00 134.58 2oef s PRO 372 Ca 0.19 1.64 0.31 0.00 0.04 0.00 0.00 61.00 63.18 2oef s PRO 372 Cb -0.05 -1.94 1.43 0.00 0.04 0.00 0.00 34.50 33.98 2oef s PRO 372 CO 0.08 -1.23 1.80 -0.09 0.04 0.00 0.00 177.00 177.60 2oef h ARG 373 N 0.54 0.00 0.00 4.56 9.65 -1.95 -0.58 114.38 126.60 2oef h ARG 373 Ca -0.49 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.39 2oef h ARG 373 Cb 1.27 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.85 2oef h ARG 373 CO 0.54 0.00 -0.01 0.66 2.80 0.00 0.00 179.97 183.96 2oef h SER 374 N 0.00 0.00 0.09 -3.80 4.64 -1.94 -0.01 113.55 112.53 2oef h SER 374 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2oef h SER 374 Cb 1.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 2oef h SER 374 CO -0.00 0.01 -0.03 0.54 -0.87 0.00 0.00 176.83 176.48 2oef n ARG 375 N -3.64 1.13 -3.71 4.77 1.74 -0.22 -4.17 116.66 112.57 2oef n ARG 375 Ca -0.03 -0.37 -0.28 0.00 -0.77 0.00 0.00 57.85 56.41 2oef n ARG 375 Cb 0.10 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 29.93 2oef n ARG 375 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2oef n PHE 376 N -0.61 2.10 -2.74 -1.55 7.35 -0.02 -3.89 117.46 118.10 2oef n PHE 376 Ca 0.20 -4.02 -0.27 0.00 -0.76 0.00 0.00 57.45 52.61 2oef n PHE 376 Cb 0.23 -0.38 -0.02 0.00 0.35 0.00 0.00 39.48 39.66 2oef n PHE 376 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2oef n ALA 377 N 2.07 4.78 -1.76 3.13 0.00 -1.26 -4.97 120.51 122.51 2oef n ALA 377 Ca 0.23 -4.49 -0.39 0.00 0.00 0.00 0.00 53.44 48.80 2oef n ALA 377 Cb 0.39 -0.65 0.02 0.00 0.00 0.00 0.00 19.45 19.22 2oef n ALA 377 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2oef s PRO 378 N -3.48 3.42 -0.48 0.00 0.04 -1.26 -4.11 135.00 129.12 2oef s PRO 378 Ca 0.48 2.21 -0.12 0.00 0.04 0.00 0.00 61.00 63.61 2oef s PRO 378 Cb 0.34 -2.42 0.11 0.00 0.04 0.00 0.00 34.50 32.57 2oef s PRO 378 CO -0.16 -0.96 0.38 0.08 0.04 0.00 0.00 177.00 176.39 2oef s VAL 379 N -1.31 4.62 -0.08 -0.36 1.01 -0.96 -4.86 120.40 118.46 2oef s VAL 379 Ca 0.67 -1.57 0.15 0.00 0.00 0.00 0.00 61.98 61.23 2oef s VAL 379 Cb -0.39 -3.95 -0.23 0.00 0.00 0.00 0.00 36.38 31.80 2oef s VAL 379 CO 0.48 -0.74 0.22 0.29 0.00 0.00 0.00 175.10 175.35 2oef n LYS 380 N 5.04 0.95 -4.32 2.72 4.76 -1.26 -4.99 118.16 121.06 2oef n LYS 380 Ca -0.11 -0.09 -0.17 0.00 -2.87 0.00 0.00 58.31 55.08 2oef n LYS 380 Cb 0.41 -1.40 -0.10 0.00 -1.84 0.00 0.00 35.03 32.10 2oef n LYS 380 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2oef s THR 381 N -2.80 1.04 0.41 -0.18 -4.23 -1.26 -4.99 115.64 103.64 2oef s THR 381 Ca -0.07 -2.04 0.25 0.00 -1.18 0.00 0.00 61.69 58.66 2oef s THR 381 Cb 0.08 -2.28 0.27 0.00 1.34 0.00 0.00 72.50 71.91 2oef s THR 381 CO 0.67 -0.38 2.05 0.00 -0.54 0.00 0.00 174.62 176.43 2oef h ALA 383 N 1.87 0.66 0.00 0.00 0.00 -1.92 -0.13 119.26 119.73 2oef h ALA 383 Ca -0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2oef h ALA 383 Cb 0.34 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2oef h ALA 383 CO 0.02 0.18 -0.18 -0.44 0.00 0.00 0.00 179.25 178.83 2oef h ASP 384 N 0.68 0.00 -0.06 0.00 3.32 -1.58 -2.48 116.42 116.31 2oef h ASP 384 Ca 0.18 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 57.00 2oef h ASP 384 Cb 0.06 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.62 2oef h ASP 384 CO -0.03 0.18 -0.82 0.25 -1.72 0.00 0.00 179.24 177.11 2oef h LEU 385 N 0.00 0.87 -0.31 1.55 5.85 -0.75 -3.07 115.31 119.45 2oef h LEU 385 Ca -0.00 -0.59 0.04 0.00 0.84 0.00 0.00 57.88 58.16 2oef h LEU 385 Cb 0.46 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 2oef h LEU 385 CO 0.02 1.39 0.09 0.25 -0.34 0.00 0.00 178.44 179.85 2oef h LEU 386 N 0.48 0.08 -0.20 2.25 5.85 -0.61 -0.13 115.31 123.03 2oef h LEU 386 Ca -0.06 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.75 2oef h LEU 386 Cb 1.44 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.45 2oef h LEU 386 CO 0.16 0.08 -0.16 0.00 -0.34 0.00 0.00 178.44 178.18 2oef h ALA 387 N 1.21 -0.03 -0.57 1.25 0.00 -1.57 -1.89 119.26 117.66 2oef h ALA 387 Ca 0.14 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2oef h ALA 387 Cb 0.13 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2oef h ALA 387 CO -0.16 -0.59 0.37 -0.07 0.00 0.00 0.00 179.25 178.79 2oef h LEU 388 N -0.17 0.62 -1.06 0.00 3.38 -1.33 -2.75 115.31 114.00 2oef h LEU 388 Ca 0.12 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2oef h LEU 388 Cb 0.35 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2oef h LEU 388 CO -0.30 0.45 0.54 0.03 0.09 0.00 0.00 178.44 179.24 2oef h ARG 389 N 0.74 1.18 -7.16 1.13 2.47 -0.70 -3.42 114.38 108.62 2oef h ARG 389 Ca 0.21 -0.10 -0.45 0.00 -1.26 0.00 0.00 59.98 58.38 2oef h ARG 389 Cb -0.05 -0.25 0.21 0.00 -1.65 0.00 0.00 29.97 28.22 2oef h ARG 389 CO -0.06 0.82 0.04 -1.54 0.56 0.00 0.00 179.97 179.79 2oef s SER 390 N -6.25 1.24 0.00 7.04 1.04 -0.74 -4.85 113.70 111.18 2oef s SER 390 Ca -0.12 1.64 0.08 0.00 0.48 0.00 0.00 55.95 58.03 2oef s SER 390 Cb 0.17 -2.36 0.45 0.00 0.10 0.00 0.00 66.02 64.38 2oef s SER 390 CO 0.81 -4.06 0.95 -0.90 0.98 0.00 0.00 173.24 171.02 2oef n ASP 391 N -4.83 0.00 0.22 7.02 3.85 -1.26 -2.65 116.55 118.89 2oef n ASP 391 Ca 0.04 -0.90 0.09 0.00 -0.71 0.00 0.00 54.79 53.31 2oef n ASP 391 Cb 0.54 0.00 0.43 0.00 -1.35 0.00 0.00 41.12 40.74 2oef n ASP 391 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2oef h ALA 392 N 2.55 1.02 -3.68 2.12 0.00 -1.86 -3.42 119.26 115.98 2oef h ALA 392 Ca 0.00 -0.23 -0.68 0.00 0.00 0.00 0.00 54.91 54.00 2oef h ALA 392 Cb 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 17.79 17.46 2oef h ALA 392 CO 0.00 0.31 -0.84 0.71 0.00 0.00 0.00 179.25 179.44 2oef s TYR 393 N -3.64 2.60 0.33 0.00 2.02 -1.09 0.44 117.35 118.01 2oef s TYR 393 Ca 0.00 -0.70 0.09 0.00 -0.37 0.00 0.00 57.07 56.10 2oef s TYR 393 Cb 0.10 -1.69 -0.06 0.00 -0.40 0.00 0.00 41.96 39.92 2oef s TYR 393 CO 0.65 -0.21 -0.02 0.14 -1.57 0.00 0.00 175.55 174.54 2oef s VAL 394 N 0.01 2.56 -0.20 0.71 -7.23 0.25 -4.87 120.40 111.63 2oef s VAL 394 Ca -0.07 -2.05 -0.07 0.00 -1.81 0.00 0.00 61.98 57.98 2oef s VAL 394 Cb -0.15 -2.74 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 2oef s VAL 394 CO 0.05 -0.22 0.07 -0.69 -0.31 0.00 0.00 175.10 174.00 2oef s VAL 395 N -2.53 4.68 1.03 1.32 1.01 -1.26 -1.91 120.40 122.73 2oef s VAL 395 Ca 0.34 -0.06 -0.17 0.00 0.00 0.00 0.00 61.98 62.09 2oef s VAL 395 Cb -0.00 -3.13 0.22 0.00 0.00 0.00 0.00 36.38 33.47 2oef s VAL 395 CO 0.18 0.42 1.25 0.42 0.00 0.00 0.00 175.10 177.37 2oef s THR 396 N 0.76 1.88 0.24 3.92 -4.23 -0.01 -4.89 115.64 113.30 2oef s THR 396 Ca 0.04 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.58 2oef s THR 396 Cb -0.13 -2.83 -0.03 0.00 1.34 0.00 0.00 72.50 70.84 2oef s THR 396 CO 0.02 0.00 1.57 0.44 -0.54 0.00 0.00 174.62 176.11 2oef h ASP 397 N -1.91 0.33 -0.37 3.99 3.32 -1.99 -2.69 116.42 117.11 2oef h ASP 397 Ca -0.45 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 56.32 2oef h ASP 397 Cb 1.26 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.65 2oef h ASP 397 CO 0.39 0.82 0.14 -0.90 -1.72 0.00 0.00 179.24 177.97 2oef n ASP 398 N -3.91 3.33 -3.56 6.45 3.85 -1.26 -4.90 116.55 116.54 2oef n ASP 398 Ca -0.02 -2.59 -0.20 0.00 -0.71 0.00 0.00 54.79 51.27 2oef n ASP 398 Cb 0.59 -0.62 0.07 0.00 -1.35 0.00 0.00 41.12 39.81 2oef n ASP 398 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 2oef n PHE 399 N 0.04 -2.16 -4.24 2.11 3.01 -1.01 -4.48 117.46 110.73 2oef n PHE 399 Ca 0.20 0.91 -0.28 0.00 1.01 0.00 0.00 57.45 59.29 2oef n PHE 399 Cb 0.87 -4.79 -0.09 0.00 -0.01 0.00 0.00 39.48 35.46 2oef n PHE 399 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2oef s ARG 400 N -5.72 2.18 -0.33 -1.08 0.52 -1.26 -4.54 118.95 108.72 2oef s ARG 400 Ca 0.08 -1.14 -0.11 0.00 -0.52 0.00 0.00 55.73 54.04 2oef s ARG 400 Cb -0.04 -2.26 -0.00 0.00 0.52 0.00 0.00 34.95 33.17 2oef s ARG 400 CO 0.76 0.46 0.19 -0.51 0.02 0.00 0.00 175.30 176.23 2oef s LEU 401 N -2.66 4.36 0.11 2.53 1.43 -1.26 -0.83 118.68 122.36 2oef s LEU 401 Ca 0.24 -0.58 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 2oef s LEU 401 Cb -0.10 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 2oef s LEU 401 CO 0.16 -0.25 -0.10 0.68 0.23 0.00 0.00 176.35 177.07 2oef s VAL 402 N 1.64 0.96 0.68 -1.59 -7.23 -0.80 -4.83 120.40 109.22 2oef s VAL 402 Ca 0.05 -1.75 -0.17 0.00 -1.81 0.00 0.00 61.98 58.30 2oef s VAL 402 Cb -0.18 -1.49 0.01 0.00 0.56 0.00 0.00 36.38 35.29 2oef s VAL 402 CO 0.08 -0.63 1.27 -0.76 -0.31 0.00 0.00 175.10 174.74 2oef s LEU 403 N -2.65 3.47 0.69 1.32 1.43 -1.26 -0.58 118.68 121.10 2oef s LEU 403 Ca 0.08 2.54 -0.13 0.00 -1.03 0.00 0.00 54.13 55.59 2oef s LEU 403 Cb -0.01 -4.61 0.02 0.00 0.03 0.00 0.00 46.19 41.62 2oef s LEU 403 CO -0.00 -2.14 1.10 -0.62 0.23 0.00 0.00 176.35 174.91 2oef s ASP 404 N -1.60 4.98 0.41 2.29 2.15 0.17 -4.63 116.67 120.44 2oef s ASP 404 Ca 0.80 1.91 0.07 0.00 0.43 0.00 0.00 52.55 55.77 2oef s ASP 404 Cb -0.35 -2.54 0.87 0.00 -0.30 0.00 0.00 42.92 40.60 2oef s ASP 404 CO 0.42 -1.71 2.05 0.44 -0.17 0.00 0.00 175.17 176.20 2oef h ASP 405 N -0.33 0.45 0.00 -0.34 3.32 -1.93 -2.53 116.42 115.05 2oef h ASP 405 Ca -0.46 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2oef h ASP 405 Cb 1.24 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2oef h ASP 405 CO 0.54 0.34 0.00 0.54 -1.72 0.00 0.00 179.24 178.93 2oef n ARG 406 N -4.47 0.57 -0.02 3.56 1.74 -1.26 -2.38 116.66 114.41 2oef n ARG 406 Ca 0.03 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.19 2oef n ARG 406 Cb 0.07 -1.01 -0.17 0.00 -1.02 0.00 0.00 32.46 30.34 2oef n ARG 406 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2oef n HIS 408 N -2.32 -1.91 -0.89 0.00 8.25 -1.00 -1.51 115.22 115.84 2oef n HIS 408 Ca -0.07 0.49 0.00 0.00 -0.26 0.00 0.00 57.72 57.87 2oef n HIS 408 Cb 0.64 -4.25 0.00 0.00 1.12 0.00 0.00 29.99 27.51 2oef n HIS 408 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2oef n GLY 409 N -1.45 0.87 3.29 -1.41 0.00 -1.26 -5.01 105.19 100.21 2oef n GLY 409 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 2oef n GLY 409 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2oef s HIS 410 N -3.42 3.18 0.60 1.61 3.76 -0.57 -5.00 115.29 115.44 2oef s HIS 410 Ca 0.00 -1.27 -0.15 0.00 -0.15 0.00 0.00 55.06 53.49 2oef s HIS 410 Cb 0.00 -2.22 -0.04 0.00 1.11 0.00 0.00 32.58 31.43 2oef s HIS 410 CO 0.00 -0.66 1.04 -2.14 -0.85 0.00 0.00 174.74 172.13 2oef s PRO 411 N 1.42 3.40 0.30 8.40 0.02 -1.26 -4.79 135.00 142.49 2oef s PRO 411 Ca 0.00 1.08 -0.29 0.00 0.02 0.00 0.00 61.00 61.81 2oef s PRO 411 Cb -0.18 -2.05 -0.10 0.00 0.02 0.00 0.00 34.50 32.19 2oef s PRO 411 CO 0.01 -0.73 1.40 -2.14 -0.33 0.00 0.00 177.00 175.21 2oef s PRO 412 N -4.31 4.28 -0.25 5.54 0.02 -1.26 -4.94 135.00 134.08 2oef s PRO 412 Ca 0.61 2.31 -0.22 0.00 0.02 0.00 0.00 61.00 63.72 2oef s PRO 412 Cb -0.14 -3.08 -0.01 0.00 0.02 0.00 0.00 34.50 31.29 2oef s PRO 412 CO 0.40 -0.35 0.70 0.08 -0.33 0.00 0.00 177.00 177.50 2oef s VAL 413 N -0.59 4.94 -0.14 3.83 1.01 0.03 -4.96 120.40 124.52 2oef s VAL 413 Ca 0.54 1.28 -0.01 0.00 0.00 0.00 0.00 61.98 63.79 2oef s VAL 413 Cb -0.42 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 2oef s VAL 413 CO 0.50 -0.00 -0.10 -0.69 0.00 0.00 0.00 175.10 174.80 2oef s VAL 414 N 2.60 3.30 -0.27 2.92 1.01 -1.26 -1.49 120.40 127.22 2oef s VAL 414 Ca 0.29 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 2oef s VAL 414 Cb -0.15 -2.41 0.08 0.00 0.00 0.00 0.00 36.38 33.90 2oef s VAL 414 CO 0.08 0.52 0.06 -0.62 0.00 0.00 0.00 175.10 175.13 2oef s ASP 415 N 0.35 3.71 -0.12 3.32 3.68 -0.24 -4.83 116.67 122.54 2oef s ASP 415 Ca -0.09 -1.36 -0.05 0.00 2.13 0.00 0.00 52.55 53.18 2oef s ASP 415 Cb -0.15 -0.85 -0.04 0.00 -1.45 0.00 0.00 42.92 40.43 2oef s ASP 415 CO 0.05 -0.36 0.08 -0.76 0.13 0.00 0.00 175.17 174.31 2oef s LEU 416 N 1.64 4.04 -0.02 -1.34 1.43 -1.26 -1.21 118.68 121.97 2oef s LEU 416 Ca 0.05 0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 53.15 2oef s LEU 416 Cb -0.17 -1.97 -0.06 0.00 0.03 0.00 0.00 46.19 44.01 2oef s LEU 416 CO -0.18 0.36 1.54 -0.62 0.23 0.00 0.00 176.35 177.68 2oef s ASP 417 N -0.74 6.74 0.74 2.29 2.15 0.53 -4.91 116.67 123.47 2oef s ASP 417 Ca 0.13 2.21 0.00 0.00 0.43 0.00 0.00 52.55 55.31 2oef s ASP 417 Cb -0.12 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 2oef s ASP 417 CO 0.03 -0.84 0.00 -1.20 -0.17 0.00 0.00 175.17 172.99 2oef n SER 418 N 6.17 -1.02 -0.09 -0.34 7.64 -1.26 -1.98 113.62 122.74 2oef n SER 418 Ca 0.15 -0.24 -0.01 0.00 1.01 0.00 0.00 58.87 59.79 2oef n SER 418 Cb 0.43 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.62 2oef n SER 418 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2oef n ALA 419 N -3.00 -0.02 0.00 -0.43 0.00 -1.26 -4.18 120.51 111.62 2oef n ALA 419 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2oef n ALA 419 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.06 2oef n ALA 419 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2oef n HIS 420 N -1.84 -1.73 -0.93 0.00 8.25 -1.22 -4.96 115.22 112.80 2oef n HIS 420 Ca -0.01 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.52 2oef n HIS 420 Cb 0.46 0.47 0.10 0.00 1.12 0.00 0.00 29.99 32.15 2oef n HIS 420 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2oef n TYR 421 N -2.44 0.00 0.31 4.41 4.02 -0.84 -3.75 117.16 118.87 2oef n TYR 421 Ca 0.00 -0.83 0.13 0.00 -0.01 0.00 0.00 57.90 57.19 2oef n TYR 421 Cb 0.00 -0.12 0.58 0.00 -0.02 0.00 0.00 39.34 39.78 2oef n TYR 421 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 2oef h LYS 422 N 0.00 0.00 0.00 -0.72 1.63 -1.85 -3.40 116.57 112.23 2oef h LYS 422 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2oef h LYS 422 Cb 0.93 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.56 2oef h LYS 422 CO 0.00 0.00 0.00 -1.71 -3.45 0.00 0.00 179.45 174.29 2oef n ASN 425 N -2.37 0.00 0.09 4.20 2.85 -1.26 -4.60 115.26 114.17 2oef n ASN 425 Ca 0.01 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.32 2oef n ASN 425 Cb 0.17 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.09 2oef n ASN 425 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 2oef h GLY 426 N 0.00 0.39 0.55 8.20 0.00 -1.93 -3.35 103.07 106.93 2oef h GLY 426 Ca 0.00 -0.84 0.09 0.00 0.00 0.00 0.00 47.33 46.58 2oef h GLY 426 CO 0.00 0.74 0.52 -2.75 0.00 0.00 0.00 176.54 175.05 2oef h PHE 427 N 0.14 0.95 0.00 5.60 3.57 -1.82 -0.26 116.94 125.12 2oef h PHE 427 Ca -0.12 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.38 2oef h PHE 427 Cb 1.81 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 40.25 2oef h PHE 427 CO 0.07 0.40 -0.17 1.49 -2.23 0.00 0.00 178.31 177.87 2oef h GLU 428 N 0.88 0.00 0.69 1.11 4.57 -1.95 -2.63 114.58 117.24 2oef h GLU 428 Ca 0.42 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.56 2oef h GLU 428 Cb 0.35 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.95 2oef h GLU 428 CO -0.24 0.17 -0.33 0.87 -1.18 0.00 0.00 179.01 178.30 2oef h LYS 429 N 0.00 -0.89 -0.96 1.92 1.57 -1.21 0.24 116.57 117.24 2oef h LYS 429 Ca -0.00 0.06 0.31 0.00 -1.87 0.00 0.00 60.65 59.15 2oef h LYS 429 Cb 0.42 0.20 -0.17 0.00 0.08 0.00 0.00 32.23 32.77 2oef h LYS 429 CO 0.02 -0.57 0.27 1.25 -0.57 0.00 0.00 179.45 179.85 2oef h LEU 430 N -1.19 -0.05 -2.63 2.94 5.85 -1.09 0.86 115.31 119.98 2oef h LEU 430 Ca -0.09 0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2oef h LEU 430 Cb 0.73 0.34 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2oef h LEU 430 CO 0.16 -0.31 0.00 1.33 -0.34 0.00 0.00 178.44 179.28 2oef n VAL 431 N -5.32 0.86 -0.39 1.05 0.24 -1.06 -1.30 118.33 112.41 2oef n VAL 431 Ca 0.27 -0.93 -0.02 0.00 -2.04 0.00 0.00 64.34 61.62 2oef n VAL 431 Cb 0.90 0.64 0.02 0.00 -1.47 0.00 0.00 33.84 33.94 2oef n VAL 431 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 2oef n GLN 432 N 1.59 -0.26 -0.00 7.34 7.27 0.30 -0.15 117.38 133.45 2oef n GLN 432 Ca 0.23 1.53 0.15 0.00 0.07 0.00 0.00 57.00 58.97 2oef n GLN 432 Cb 0.61 -2.27 0.70 0.00 2.41 0.00 0.00 30.24 31.70 2oef n GLN 432 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2oef n HIS 433 N -5.44 0.01 0.00 3.69 8.25 -1.26 -4.98 115.22 115.49 2oef n HIS 433 Ca 0.09 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 2oef n HIS 433 Cb 0.38 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.49 2oef n HIS 433 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2oef n GLY 434 N 1.09 3.48 3.36 -1.41 0.00 0.78 -4.34 105.19 108.15 2oef n GLY 434 Ca 0.21 -1.29 -0.37 0.00 0.00 0.00 0.00 46.02 44.57 2oef n GLY 434 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oef s VAL 435 N -2.00 3.99 0.64 1.61 1.01 -1.26 -4.45 120.40 119.94 2oef s VAL 435 Ca 0.00 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.24 2oef s VAL 435 Cb 0.00 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 2oef s VAL 435 CO 0.00 0.17 1.27 -0.81 0.00 0.00 0.00 175.10 175.73 2oef n PRO 436 N 4.87 1.13 -2.45 2.72 -0.04 -1.26 -4.83 135.00 135.14 2oef n PRO 436 Ca -0.15 0.44 -0.42 0.00 -0.04 0.00 0.00 63.50 63.32 2oef n PRO 436 Cb 0.49 -2.51 -0.03 0.00 -0.04 0.00 0.00 33.50 31.42 2oef n PRO 436 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2oef s SER 437 N -1.34 7.03 0.00 3.54 0.15 -0.07 -4.67 113.70 118.34 2oef s SER 437 Ca 0.82 1.79 0.00 0.00 0.70 0.00 0.00 55.95 59.26 2oef s SER 437 Cb -0.39 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.37 2oef s SER 437 CO 0.41 -0.62 0.80 0.18 1.20 0.00 0.00 173.24 175.21 2oef n LEU 438 N 5.45 1.55 0.14 3.45 4.77 -1.26 -1.39 117.00 129.70 2oef n LEU 438 Ca 0.11 -1.55 0.13 0.00 -0.03 0.00 0.00 56.01 54.68 2oef n LEU 438 Cb 0.46 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 42.21 2oef n LEU 438 CO 0.55 0.39 1.12 1.62 -1.33 0.00 0.00 177.39 179.74 2oef h VAL 439 N 0.16 0.88 -0.47 4.08 3.04 -1.84 -0.43 116.25 121.67 2oef h VAL 439 Ca 0.00 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2oef h VAL 439 Cb 0.37 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 2oef h VAL 439 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.57 175.94 2oef n GLU 440 N -4.47 2.62 -3.50 4.17 -0.58 -1.26 -4.46 120.64 113.17 2oef n GLU 440 Ca 0.03 -2.25 -0.37 0.00 -0.42 0.00 0.00 57.16 54.14 2oef n GLU 440 Cb 0.32 -1.41 -0.08 0.00 -0.57 0.00 0.00 31.44 29.70 2oef n GLU 440 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2oef h LYS 442 N 7.37 0.16 -2.76 0.00 3.64 -1.25 -3.39 116.57 120.34 2oef h LYS 442 Ca -0.37 -0.19 -0.12 0.00 -1.27 0.00 0.00 60.65 58.70 2oef h LYS 442 Cb 1.16 0.06 -0.24 0.00 -0.41 0.00 0.00 32.23 32.81 2oef h LYS 442 CO 0.70 0.97 -0.24 0.50 -2.27 0.00 0.00 179.45 179.11 2oef s ARG 443 N -2.91 0.50 -0.04 1.90 3.52 -1.17 -0.79 118.95 119.97 2oef s ARG 443 Ca -0.16 0.51 0.01 0.00 -0.13 0.00 0.00 55.73 55.96 2oef s ARG 443 Cb 0.00 0.24 0.02 0.00 -1.56 0.00 0.00 34.95 33.65 2oef s ARG 443 CO 0.74 -0.07 -0.04 0.54 -0.81 0.00 0.00 175.30 175.66 2oef s VAL 444 N 0.10 0.50 -0.06 7.11 0.11 -0.55 -0.86 120.40 126.74 2oef s VAL 444 Ca -0.01 -0.12 0.04 0.00 -2.93 0.00 0.00 61.98 58.97 2oef s VAL 444 Cb -0.03 -0.52 -0.00 0.00 -1.53 0.00 0.00 36.38 34.30 2oef s VAL 444 CO 0.01 0.21 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.91 2oef s THR 445 N 0.83 1.56 -0.19 5.04 2.01 -0.46 -1.08 115.64 123.35 2oef s THR 445 Ca -0.11 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.13 2oef s THR 445 Cb -0.14 -1.35 0.03 0.00 0.01 0.00 0.00 72.50 71.06 2oef s THR 445 CO 0.00 0.45 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.55 2oef s VAL 446 N 0.13 1.85 -0.12 3.82 1.01 -0.35 -0.86 120.40 125.88 2oef s VAL 446 Ca -0.07 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.89 2oef s VAL 446 Cb -0.13 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 2oef s VAL 446 CO 0.03 0.30 -0.13 -0.54 0.00 0.00 0.00 175.10 174.77 2oef s LYS 447 N 1.33 3.32 0.00 2.72 1.02 0.38 -0.35 119.74 128.16 2oef s LYS 447 Ca 0.01 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.31 2oef s LYS 447 Cb -0.15 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.55 2oef s LYS 447 CO -0.10 0.24 0.00 0.41 -0.92 0.00 0.00 175.35 174.99 2oef n GLY 448 N 3.43 -1.28 3.59 -3.33 0.00 -1.26 -1.31 105.19 105.04 2oef n GLY 448 Ca -0.18 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 2oef n GLY 448 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2oef s LEU 449 N -2.56 3.53 0.21 0.99 2.96 -1.26 -4.79 118.68 117.75 2oef s LEU 449 Ca 0.00 0.86 0.06 0.00 -0.22 0.00 0.00 54.13 54.84 2oef s LEU 449 Cb 0.00 -3.44 -0.05 0.00 0.50 0.00 0.00 46.19 43.21 2oef s LEU 449 CO 0.00 -1.58 -0.10 -0.69 -1.32 0.00 0.00 176.35 172.66 2oef s VAL 450 N 6.04 1.48 -0.14 1.68 1.01 -1.26 -2.46 120.40 126.75 2oef s VAL 450 Ca 0.65 -2.14 -0.04 0.00 0.00 0.00 0.00 61.98 60.46 2oef s VAL 450 Cb -0.15 -2.10 0.07 0.00 0.00 0.00 0.00 36.38 34.19 2oef s VAL 450 CO 0.32 -0.55 0.22 -1.10 0.00 0.00 0.00 175.10 173.99 2oef s GLN 451 N -3.71 0.12 0.50 2.72 -0.21 -0.89 -4.33 119.66 113.85 2oef s GLN 451 Ca 0.23 0.52 -0.22 0.00 0.02 0.00 0.00 55.36 55.91 2oef s GLN 451 Cb 0.02 -0.48 -0.06 0.00 1.00 0.00 0.00 33.01 33.49 2oef s GLN 451 CO 0.06 -0.41 1.24 -0.06 -2.12 0.00 0.00 175.29 174.00 2oef s PHE 452 N 2.35 2.64 0.00 0.91 0.40 -0.42 -0.93 117.98 122.94 2oef s PHE 452 Ca 0.04 1.47 0.00 0.00 -0.60 0.00 0.00 56.93 57.84 2oef s PHE 452 Cb -0.13 -3.54 0.00 0.00 0.51 0.00 0.00 43.02 39.86 2oef s PHE 452 CO -0.09 -2.04 0.00 0.41 0.70 0.00 0.00 175.22 174.20 2oef n GLY 453 N 0.55 0.10 3.19 4.36 0.00 -1.20 -4.36 105.19 107.82 2oef n GLY 453 Ca 0.09 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 2oef n GLY 453 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oef s ALA 454 N -3.62 -0.74 -0.65 4.61 0.00 -1.26 -3.47 121.76 116.63 2oef s ALA 454 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.77 2oef s ALA 454 Cb 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.66 2oef s ALA 454 CO 0.00 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.02 2oef n GLY 455 N 2.82 0.81 3.77 0.00 0.00 -1.26 -0.25 105.19 111.08 2oef n GLY 455 Ca -0.13 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 2oef n GLY 455 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2oef s ASN 456 N -2.56 6.83 -0.09 1.61 0.02 -1.26 -3.96 114.94 115.52 2oef s ASN 456 Ca 0.00 2.64 -0.01 0.00 -1.02 0.00 0.00 52.86 54.47 2oef s ASN 456 Cb 0.00 -2.65 0.03 0.00 0.02 0.00 0.00 41.25 38.65 2oef s ASN 456 CO 0.00 -0.49 -0.04 -0.69 0.02 0.00 0.00 177.10 175.90 2oef s VAL 457 N -1.14 0.69 -0.12 1.60 1.01 -0.52 -0.89 120.40 121.02 2oef s VAL 457 Ca 0.48 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 2oef s VAL 457 Cb -0.39 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 2oef s VAL 457 CO 0.52 0.31 -0.03 -0.76 0.00 0.00 0.00 175.10 175.13 2oef s LEU 458 N 1.85 3.32 0.15 3.92 1.02 -0.49 -1.58 118.68 126.87 2oef s LEU 458 Ca 0.05 -0.04 0.05 0.00 0.02 0.00 0.00 54.13 54.21 2oef s LEU 458 Cb -0.12 -1.78 -0.04 0.00 0.02 0.00 0.00 46.19 44.27 2oef s LEU 458 CO -0.07 0.25 -0.12 0.42 0.02 0.00 0.00 176.35 176.86 2oef s THR 459 N -0.14 1.28 0.00 5.49 -4.23 -0.46 -3.02 115.64 114.55 2oef s THR 459 Ca 0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 2oef s THR 459 Cb -0.13 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 71.92 2oef s THR 459 CO 0.02 -0.65 0.00 0.61 -0.54 0.00 0.00 174.62 174.06 2oef n GLY 460 N -0.05 2.13 3.68 3.99 0.00 -0.98 -2.44 105.19 111.52 2oef n GLY 460 Ca -0.11 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 2oef n GLY 460 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oef s THR 461 N 0.00 5.27 -0.03 2.61 2.01 -1.26 -0.78 115.64 123.46 2oef s THR 461 Ca 0.00 0.14 0.02 0.00 0.31 0.00 0.00 61.69 62.17 2oef s THR 461 Cb 0.00 -3.43 0.01 0.00 0.01 0.00 0.00 72.50 69.09 2oef s THR 461 CO 0.00 0.40 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.55 2oef s VAL 462 N 0.71 0.75 -0.09 3.82 1.01 -0.04 -2.38 120.40 124.17 2oef s VAL 462 Ca 0.07 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.76 2oef s VAL 462 Cb -0.12 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.57 2oef s VAL 462 CO 0.01 0.24 -0.22 -0.89 0.00 0.00 0.00 175.10 174.25 2oef s THR 463 N 0.31 1.91 -0.30 3.92 2.01 -0.49 -1.35 115.64 121.64 2oef s THR 463 Ca -0.05 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.04 2oef s THR 463 Cb -0.10 -1.65 0.09 0.00 0.01 0.00 0.00 72.50 70.85 2oef s THR 463 CO 0.01 0.53 0.02 -0.63 -0.69 0.00 0.00 174.62 173.85 2oef s ILE 464 N 0.35 1.80 -0.02 1.82 1.01 -0.04 -0.29 121.20 125.84 2oef s ILE 464 Ca -0.17 -1.82 0.06 0.00 0.00 0.00 0.00 60.65 58.71 2oef s ILE 464 Cb -0.17 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 2oef s ILE 464 CO 0.08 -0.45 -0.19 -1.83 0.00 0.00 0.00 174.94 172.55 2oef s GLU 465 N 1.18 1.60 -0.35 2.79 -1.05 -1.03 -0.47 118.70 121.37 2oef s GLU 465 Ca 0.05 -0.69 -0.22 0.00 -0.15 0.00 0.00 54.97 53.96 2oef s GLU 465 Cb -0.19 -1.53 0.00 0.00 -0.44 0.00 0.00 34.13 31.98 2oef s GLU 465 CO -0.11 0.40 0.73 1.21 0.95 0.00 0.00 175.26 178.44 2oef s ASN 466 N -0.41 6.53 0.00 0.83 3.84 -0.42 -4.40 114.94 120.91 2oef s ASN 466 Ca 0.06 0.35 0.00 0.00 0.21 0.00 0.00 52.86 53.49 2oef s ASN 466 Cb -0.08 -2.37 0.00 0.00 -0.55 0.00 0.00 41.25 38.25 2oef s ASN 466 CO -0.00 -0.65 0.00 0.41 -2.79 0.00 0.00 177.10 174.07 2oef n THR 467 N 5.65 0.00 -2.55 -5.21 -1.04 -1.26 -3.69 114.28 106.18 2oef n THR 467 Ca 0.02 0.07 -0.10 0.00 -2.04 0.00 0.00 64.05 61.99 2oef n THR 467 Cb 0.48 -0.14 0.03 0.00 -1.82 0.00 0.00 70.33 68.89 2oef n THR 467 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2oef n ASP 468 N -0.00 2.75 -2.76 8.00 8.00 -1.26 -4.98 116.55 126.29 2oef n ASP 468 Ca 0.00 -2.75 -0.12 0.00 0.71 0.00 0.00 54.79 52.63 2oef n ASP 468 Cb 0.00 -0.45 0.07 0.00 -0.02 0.00 0.00 41.12 40.72 2oef n ASP 468 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2oef n SER 469 N -0.54 -2.04 0.00 -2.24 2.88 -1.24 -4.85 113.62 105.58 2oef n SER 469 Ca 0.20 -0.45 0.05 0.00 -1.33 0.00 0.00 58.87 57.34 2oef n SER 469 Cb 0.84 -3.86 0.27 0.00 -0.75 0.00 0.00 64.21 60.71 2oef n SER 469 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2oef n ALA 470 N -3.28 1.69 -1.04 -1.46 0.00 -1.26 -4.90 120.51 110.26 2oef n ALA 470 Ca -0.21 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2oef n ALA 470 Cb 0.62 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2oef n ALA 470 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2oef n SER 471 N -1.24 -3.62 -1.85 0.00 7.64 -1.26 -5.02 113.62 108.27 2oef n SER 471 Ca 0.05 0.35 -0.02 0.00 1.01 0.00 0.00 58.87 60.27 2oef n SER 471 Cb 0.08 -1.93 0.00 0.00 -1.01 0.00 0.00 64.21 61.35 2oef n SER 471 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2oef n ALA 472 N 0.42 -3.04 -3.37 -0.43 0.00 -1.26 -5.00 120.51 107.83 2oef n ALA 472 Ca 0.00 0.26 -0.46 0.00 0.00 0.00 0.00 53.44 53.25 2oef n ALA 472 Cb 0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 2oef n ALA 472 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2oef s PHE 473 N -1.14 3.66 -0.27 0.00 5.36 -1.03 -5.01 117.98 119.54 2oef s PHE 473 Ca 0.05 -1.98 -0.24 0.00 -0.96 0.00 0.00 56.93 53.80 2oef s PHE 473 Cb -0.01 -3.75 -0.00 0.00 -0.34 0.00 0.00 43.02 38.92 2oef s PHE 473 CO 0.21 -0.98 0.80 0.08 -1.46 0.00 0.00 175.22 173.87 2oef s VAL 474 N 0.34 4.82 0.32 3.12 1.01 -1.26 -2.10 120.40 126.64 2oef s VAL 474 Ca 0.16 1.37 -0.28 0.00 0.00 0.00 0.00 61.98 63.22 2oef s VAL 474 Cb -0.14 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 2oef s VAL 474 CO -0.07 -0.16 1.16 -0.63 0.00 0.00 0.00 175.10 175.40 2oef s ILE 475 N 2.90 3.26 0.93 2.22 1.01 -0.10 -4.97 121.20 126.45 2oef s ILE 475 Ca 0.33 1.22 -0.11 0.00 0.00 0.00 0.00 60.65 62.10 2oef s ILE 475 Cb -0.15 -3.76 0.12 0.00 0.01 0.00 0.00 42.46 38.69 2oef s ILE 475 CO 0.10 0.25 0.95 -2.65 0.00 0.00 0.00 174.94 173.59 2oef n PRO 476 N 0.85 -0.47 -3.09 2.79 -0.02 -1.26 -3.27 135.00 130.53 2oef n PRO 476 Ca 0.00 -0.08 -0.34 0.00 -2.02 0.00 0.00 63.50 61.06 2oef n PRO 476 Cb 0.45 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.63 2oef n PRO 476 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2oef s ASP 477 N -2.47 6.90 0.00 2.55 -0.00 -1.26 -3.49 116.67 118.90 2oef s ASP 477 Ca 0.64 1.38 0.00 0.00 -0.00 0.00 0.00 52.55 54.57 2oef s ASP 477 Cb -0.22 -2.41 0.00 0.00 -0.00 0.00 0.00 42.92 40.29 2oef s ASP 477 CO 0.61 -0.13 0.00 0.61 -0.00 0.00 0.00 175.17 176.26 2oef n GLY 478 N 0.03 0.60 3.67 0.21 0.00 0.66 -4.92 105.19 105.44 2oef n GLY 478 Ca 0.02 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.55 2oef n GLY 478 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oef n ALA 479 N 1.00 0.84 -3.59 4.61 0.00 -1.23 -4.74 120.51 117.40 2oef n ALA 479 Ca 0.00 0.37 -0.40 0.00 0.00 0.00 0.00 53.44 53.41 2oef n ALA 479 Cb 0.01 -2.40 -0.07 0.00 0.00 0.00 0.00 19.45 16.99 2oef n ALA 479 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2oef s LYS 480 N 2.66 2.87 -0.25 0.00 2.47 -1.26 -1.44 119.74 124.78 2oef s LYS 480 Ca 0.88 -2.44 -0.23 0.00 -1.56 0.00 0.00 55.97 52.62 2oef s LYS 480 Cb -0.73 -3.96 -0.01 0.00 -1.46 0.00 0.00 37.83 31.67 2oef s LYS 480 CO 0.47 -1.21 0.74 -0.51 0.16 0.00 0.00 175.35 175.01 2oef s LEU 481 N 0.14 4.07 -0.09 5.43 1.43 -0.61 -4.99 118.68 124.06 2oef s LEU 481 Ca 0.16 0.86 -0.00 0.00 -1.03 0.00 0.00 54.13 54.12 2oef s LEU 481 Cb -0.18 -3.04 0.02 0.00 0.03 0.00 0.00 46.19 43.03 2oef s LEU 481 CO -0.05 -0.47 -0.07 0.21 0.23 0.00 0.00 176.35 176.21 2oef s ASN 482 N 1.42 1.92 -1.68 2.29 2.47 -1.26 -1.36 114.94 118.74 2oef s ASN 482 Ca 0.31 -0.25 -0.12 0.00 0.42 0.00 0.00 52.86 53.22 2oef s ASN 482 Cb -0.15 -0.74 0.11 0.00 -1.45 0.00 0.00 41.25 39.02 2oef s ASN 482 CO 0.08 -0.10 0.40 0.47 -3.72 0.00 0.00 177.10 174.23 2oef n ASP 483 N 4.74 -0.94 -4.22 -4.21 10.43 -1.02 -4.91 116.55 116.42 2oef n ASP 483 Ca -0.14 -1.19 -0.26 0.00 2.57 0.00 0.00 54.79 55.78 2oef n ASP 483 Cb 0.50 -1.98 -0.08 0.00 1.84 0.00 0.00 41.12 41.40 2oef n ASP 483 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 2oef s THR 484 N -3.74 0.73 -0.30 -3.53 -1.32 -1.00 -4.92 115.64 101.56 2oef s THR 484 Ca 0.43 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.92 2oef s THR 484 Cb -0.25 -2.40 0.09 0.00 -1.51 0.00 0.00 72.50 68.44 2oef s THR 484 CO 0.98 0.00 0.06 -0.89 -2.21 0.00 0.00 174.62 172.56 2oef s THR 485 N -3.20 1.36 0.10 5.08 2.01 -1.26 -1.40 115.64 118.33 2oef s THR 485 Ca 0.24 -1.60 -0.25 0.00 0.31 0.00 0.00 61.69 60.39 2oef s THR 485 Cb 0.03 -1.95 -0.07 0.00 0.01 0.00 0.00 72.50 70.53 2oef s THR 485 CO 0.14 -0.54 0.78 0.00 -0.69 0.00 0.00 174.62 174.30 2oef s ALA 486 N 1.39 3.40 0.22 7.40 0.00 0.60 -4.96 121.76 129.82 2oef s ALA 486 Ca 0.07 0.33 -0.21 0.00 0.00 0.00 0.00 51.96 52.15 2oef s ALA 486 Cb -0.18 -2.99 0.04 0.00 0.00 0.00 0.00 23.12 19.99 2oef s ALA 486 CO -0.17 0.17 0.64 -1.12 0.00 0.00 0.00 175.76 175.28 2oef s SER 487 N -0.56 -0.37 0.00 0.00 0.01 -1.26 -2.48 113.70 109.04 2oef s SER 487 Ca 0.37 -0.37 0.16 0.00 1.31 0.00 0.00 55.95 57.43 2oef s SER 487 Cb -0.22 0.65 0.13 0.00 0.21 0.00 0.00 66.02 66.79 2oef s SER 487 CO 0.25 -1.16 1.01 -0.81 0.41 0.00 0.00 173.24 172.94