#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jpy h THR 9 N 0.00 0.00 -0.05 0.61 2.02 -2.06 -3.14 112.91 110.29 1jpy h THR 9 Ca 0.00 -0.32 0.01 0.00 0.77 0.00 0.00 66.41 66.87 1jpy h THR 9 Cb 0.00 1.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1jpy h THR 9 CO 0.00 0.00 0.04 0.15 0.37 0.00 0.00 175.52 176.08 1jpy h PHE 10 N 0.00 0.00 -0.06 3.16 3.04 -2.11 -2.82 116.94 118.15 1jpy h PHE 10 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1jpy h PHE 10 Cb 0.47 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.98 1jpy h PHE 10 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 178.31 177.48 1jpy n PHE 11 N -4.39 0.05 -1.30 0.41 3.72 -1.19 -4.93 117.46 109.84 1jpy n PHE 11 Ca -0.02 -0.03 -0.29 0.00 -0.05 0.00 0.00 57.45 57.06 1jpy n PHE 11 Cb 0.14 0.00 0.19 0.00 -0.94 0.00 0.00 39.48 38.86 1jpy n PHE 11 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1jpy s GLN 12 N -1.95 0.08 0.30 -1.08 -0.21 -1.07 -4.98 119.66 110.76 1jpy s GLN 12 Ca 0.34 0.18 0.11 0.00 0.02 0.00 0.00 55.36 56.01 1jpy s GLN 12 Cb 0.20 -1.73 -0.06 0.00 1.00 0.00 0.00 33.01 32.43 1jpy s GLN 12 CO 0.32 -2.89 -0.16 0.15 -2.12 0.00 0.00 175.29 170.58 1jpy s LYS 13 N -5.27 1.74 0.26 2.91 1.02 -1.26 -5.08 119.74 114.05 1jpy s LYS 13 Ca 0.67 -1.83 -0.31 0.00 0.02 0.00 0.00 55.97 54.53 1jpy s LYS 13 Cb -0.14 -1.75 -0.11 0.00 -0.52 0.00 0.00 37.83 35.31 1jpy s LYS 13 CO 0.56 0.26 1.61 -2.14 -0.92 0.00 0.00 175.35 174.72 1jpy s PRO 14 N -3.55 4.14 0.38 -1.68 0.02 -1.26 -4.83 135.00 128.23 1jpy s PRO 14 Ca 0.31 2.54 0.18 0.00 0.02 0.00 0.00 61.00 64.05 1jpy s PRO 14 Cb -0.02 -3.06 1.10 0.00 0.02 0.00 0.00 34.50 32.54 1jpy s PRO 14 CO 0.16 -0.64 1.74 0.93 -0.33 0.00 0.00 177.00 178.85 1jpy h GLU 15 N 5.55 0.38 -1.81 5.54 5.08 -2.04 -1.45 114.58 125.83 1jpy h GLU 15 Ca -0.45 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1jpy h GLU 15 Cb 1.21 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1jpy h GLU 15 CO 0.85 0.25 0.00 -1.13 -1.00 0.00 0.00 179.01 177.97 1jpy n SER 16 N -4.72 1.13 -4.29 1.42 3.41 -1.26 -4.74 113.62 104.58 1jpy n SER 16 Ca 0.28 -0.88 -0.23 0.00 -0.26 0.00 0.00 58.87 57.77 1jpy n SER 16 Cb 0.93 -0.21 -0.12 0.00 -0.26 0.00 0.00 64.21 64.54 1jpy n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jpy s PRO 18 N -2.01 3.93 0.53 0.00 0.02 -1.26 -4.98 135.00 131.24 1jpy s PRO 18 Ca 0.07 1.68 -0.22 0.00 0.02 0.00 0.00 61.00 62.56 1jpy s PRO 18 Cb -0.09 -3.97 -0.05 0.00 0.02 0.00 0.00 34.50 30.41 1jpy s PRO 18 CO 0.04 -1.12 1.32 -2.14 -0.33 0.00 0.00 177.00 174.77 1jpy s PRO 19 N 4.34 3.24 0.05 5.54 0.02 -1.26 -5.05 135.00 141.88 1jpy s PRO 19 Ca 0.67 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.83 1jpy s PRO 19 Cb -0.25 -2.27 0.00 0.00 0.02 0.00 0.00 34.50 32.01 1jpy s PRO 19 CO 0.26 -1.08 0.03 1.33 -0.33 0.00 0.00 177.00 177.21 1jpy n VAL 20 N -0.96 0.00 0.00 3.83 0.24 -1.26 -5.07 118.33 115.11 1jpy n VAL 20 Ca 0.10 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1jpy n VAL 20 Cb 0.46 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 1jpy n VAL 20 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1jpy n PRO 21 N -0.49 0.00 0.00 7.34 -0.02 -1.26 -4.44 135.00 136.12 1jpy n PRO 21 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1jpy n PRO 21 Cb 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.54 1jpy n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jpy n GLY 22 N 0.00 0.00 0.00 -1.23 0.00 -1.26 -5.04 105.19 97.66 1jpy n GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1jpy n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jpy n GLY 23 N 2.31 -1.66 2.88 -0.02 0.00 -1.26 -5.17 105.19 102.27 1jpy n GLY 23 Ca 0.00 0.90 -0.13 0.00 0.00 0.00 0.00 46.02 46.78 1jpy n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jpy s SER 24 N 0.00 -0.03 0.42 1.61 0.01 -1.26 -5.15 113.70 109.30 1jpy s SER 24 Ca 0.00 0.13 0.06 0.00 1.31 0.00 0.00 55.95 57.45 1jpy s SER 24 Cb 0.00 0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.32 1jpy s SER 24 CO 0.00 -0.08 0.59 -0.04 0.41 0.00 0.00 173.24 174.12 1jpy s MET 25 N 0.55 2.89 -0.36 12.44 -1.94 -1.26 -4.96 119.30 126.66 1jpy s MET 25 Ca -0.04 -1.01 -0.11 0.00 -1.71 0.00 0.00 55.69 52.82 1jpy s MET 25 Cb -0.06 -2.71 0.01 0.00 2.01 0.00 0.00 34.83 34.08 1jpy s MET 25 CO -0.02 -0.25 0.21 0.21 -0.01 0.00 0.00 175.02 175.16 1jpy s LYS 26 N -4.39 3.06 -0.39 2.03 2.20 -1.26 -5.07 119.74 115.92 1jpy s LYS 26 Ca 0.52 -0.92 -0.12 0.00 -0.36 0.00 0.00 55.97 55.08 1jpy s LYS 26 Cb -0.10 -3.74 0.03 0.00 -1.51 0.00 0.00 37.83 32.51 1jpy s LYS 26 CO 0.34 -0.60 0.25 -1.17 -0.36 0.00 0.00 175.35 173.81 1jpy s LEU 27 N 1.61 4.92 0.57 5.43 2.96 -1.26 -5.08 118.68 127.84 1jpy s LEU 27 Ca 0.04 -1.02 -0.18 0.00 -0.22 0.00 0.00 54.13 52.75 1jpy s LEU 27 Cb -0.18 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 1jpy s LEU 27 CO 0.08 -0.43 1.11 -1.81 -1.32 0.00 0.00 176.35 173.97 1jpy s ASP 28 N 1.67 5.63 0.14 3.68 1.01 -1.26 -5.00 116.67 122.56 1jpy s ASP 28 Ca 0.03 2.07 -0.29 0.00 0.71 0.00 0.00 52.55 55.07 1jpy s ASP 28 Cb -0.20 -2.57 -0.07 0.00 1.01 0.00 0.00 42.92 41.10 1jpy s ASP 28 CO 0.07 -1.27 0.91 -0.51 0.21 0.00 0.00 175.17 174.59 1jpy s ILE 29 N -2.01 4.40 0.00 0.77 2.07 -1.26 -4.90 121.20 120.28 1jpy s ILE 29 Ca 0.70 1.99 0.00 0.00 -1.41 0.00 0.00 60.65 61.93 1jpy s ILE 29 Cb -0.21 -4.28 0.00 0.00 0.13 0.00 0.00 42.46 38.09 1jpy s ILE 29 CO 0.31 0.39 0.00 0.61 -1.91 0.00 0.00 174.94 174.34 1jpy n GLY 30 N 2.00 3.14 3.26 1.50 0.00 -1.26 -5.05 105.19 108.78 1jpy n GLY 30 Ca -0.00 -1.65 -0.35 0.00 0.00 0.00 0.00 46.02 44.02 1jpy n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jpy s ILE 31 N -1.53 3.17 0.10 -0.61 1.01 -1.26 -5.07 121.20 117.00 1jpy s ILE 31 Ca 0.00 -0.77 -0.31 0.00 0.00 0.00 0.00 60.65 59.57 1jpy s ILE 31 Cb 0.00 -2.54 -0.09 0.00 0.01 0.00 0.00 42.46 39.85 1jpy s ILE 31 CO 0.00 0.29 1.60 -0.63 0.00 0.00 0.00 174.94 176.20 1jpy s ILE 32 N 1.41 2.94 -1.19 2.92 1.01 -1.26 -2.60 121.20 124.43 1jpy s ILE 32 Ca 0.03 0.52 0.00 0.00 0.00 0.00 0.00 60.65 61.20 1jpy s ILE 32 Cb -0.16 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 38.98 1jpy s ILE 32 CO -0.04 0.01 0.00 0.59 0.00 0.00 0.00 174.94 175.51 1jpy n ASN 33 N 4.95 -4.26 0.34 3.58 5.03 -1.26 -4.88 115.26 118.77 1jpy n ASN 33 Ca 0.15 0.00 0.23 0.00 0.87 0.00 0.00 54.58 55.83 1jpy n ASN 33 Cb 0.40 -3.42 1.22 0.00 -1.02 0.00 0.00 39.78 36.96 1jpy n ASN 33 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1jpy h GLU 34 N 0.00 0.00 0.00 3.52 4.81 -1.94 -2.98 114.58 117.99 1jpy h GLU 34 Ca -0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1jpy h GLU 34 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1jpy h GLU 34 CO 0.39 0.00 0.00 0.27 -0.73 0.00 0.00 179.01 178.94 1jpy n ASN 35 N -3.08 0.00 -4.86 1.04 0.23 -1.26 -4.86 115.26 102.47 1jpy n ASN 35 Ca -0.03 -0.26 -0.32 0.00 -0.53 0.00 0.00 54.58 53.45 1jpy n ASN 35 Cb 0.08 -0.16 -0.05 0.00 -2.08 0.00 0.00 39.78 37.57 1jpy n ASN 35 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1jpy s GLN 36 N -2.32 3.91 -0.04 -3.83 -0.21 -1.13 -5.08 119.66 110.96 1jpy s GLN 36 Ca 0.23 0.56 -0.01 0.00 0.02 0.00 0.00 55.36 56.15 1jpy s GLN 36 Cb 0.13 -2.45 0.03 0.00 1.00 0.00 0.00 33.01 31.72 1jpy s GLN 36 CO 0.25 0.12 0.04 1.03 -2.12 0.00 0.00 175.29 174.62 1jpy s ARG 37 N -3.20 0.13 0.33 2.91 0.52 -1.26 -5.12 118.95 113.24 1jpy s ARG 37 Ca 0.52 0.27 -0.27 0.00 -0.52 0.00 0.00 55.73 55.73 1jpy s ARG 37 Cb -0.10 -0.59 -0.13 0.00 0.52 0.00 0.00 34.95 34.64 1jpy s ARG 37 CO 0.22 -0.29 1.05 1.55 0.02 0.00 0.00 175.30 177.85 1jpy n VAL 38 N 5.05 2.07 -3.69 3.52 3.14 -1.26 -4.98 118.33 122.18 1jpy n VAL 38 Ca -0.08 -0.50 -0.26 0.00 -2.96 0.00 0.00 64.34 60.53 1jpy n VAL 38 Cb 0.50 -1.12 -0.17 0.00 -1.06 0.00 0.00 33.84 31.99 1jpy n VAL 38 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1jpy s SER 39 N -0.55 2.48 0.38 6.55 0.15 -1.26 -5.13 113.70 116.31 1jpy s SER 39 Ca 0.59 -0.63 0.05 0.00 0.70 0.00 0.00 55.95 56.67 1jpy s SER 39 Cb -0.65 -0.42 -0.07 0.00 -1.71 0.00 0.00 66.02 63.17 1jpy s SER 39 CO 0.60 -0.31 0.03 -0.04 1.20 0.00 0.00 173.24 174.72 1jpy s MET 40 N 1.99 1.83 0.60 5.44 -1.94 -1.26 -5.12 119.30 120.85 1jpy s MET 40 Ca 0.01 -2.04 -0.19 0.00 -1.71 0.00 0.00 55.69 51.76 1jpy s MET 40 Cb -0.16 -1.26 -0.04 0.00 2.01 0.00 0.00 34.83 35.38 1jpy s MET 40 CO -0.08 -0.14 1.03 0.43 -0.01 0.00 0.00 175.02 176.25 1jpy n SER 41 N -0.87 1.06 -4.76 3.03 7.64 -1.26 -4.90 113.62 113.56 1jpy n SER 41 Ca -0.04 0.82 -0.41 0.00 1.01 0.00 0.00 58.87 60.24 1jpy n SER 41 Cb 0.67 -1.42 -0.02 0.00 -1.01 0.00 0.00 64.21 62.43 1jpy n SER 41 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1jpy s ARG 42 N -2.84 4.26 -1.45 1.43 3.52 -1.26 -2.46 118.95 120.14 1jpy s ARG 42 Ca 0.76 2.34 -0.13 0.00 -0.13 0.00 0.00 55.73 58.57 1jpy s ARG 42 Cb -0.41 -3.07 0.11 0.00 -1.56 0.00 0.00 34.95 30.02 1jpy s ARG 42 CO 0.46 -0.38 0.65 0.09 -0.81 0.00 0.00 175.30 175.31 1jpy n ASN 43 N 1.52 -3.64 -0.34 -2.12 3.02 -1.26 -4.83 115.26 107.61 1jpy n ASN 43 Ca 0.04 -0.66 0.09 0.00 -0.03 0.00 0.00 54.58 54.02 1jpy n ASN 43 Cb 0.40 -2.99 0.28 0.00 -0.61 0.00 0.00 39.78 36.86 1jpy n ASN 43 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1jpy h ILE 44 N -1.27 0.89 0.00 2.41 2.10 -1.85 -0.69 117.51 119.10 1jpy h ILE 44 Ca -0.50 -0.31 0.00 0.00 1.08 0.00 0.00 64.86 65.13 1jpy h ILE 44 Cb 1.33 -0.10 0.00 0.00 -1.09 0.00 0.00 36.82 36.96 1jpy h ILE 44 CO 0.64 0.17 0.00 -1.84 -1.08 0.00 0.00 178.15 176.03 1jpy n GLU 45 N -4.61 0.10 -0.07 2.19 0.00 -1.26 -1.96 120.64 115.04 1jpy n GLU 45 Ca 0.19 0.36 -0.09 0.00 0.00 0.00 0.00 57.16 57.62 1jpy n GLU 45 Cb 0.39 -1.70 -0.09 0.00 0.00 0.00 0.00 31.44 30.05 1jpy n GLU 45 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1jpy n SER 46 N -1.88 2.31 0.10 -1.84 7.64 -0.40 -1.38 113.62 118.18 1jpy n SER 46 Ca 0.02 -0.04 0.13 0.00 1.01 0.00 0.00 58.87 59.99 1jpy n SER 46 Cb 0.19 0.30 0.42 0.00 -1.01 0.00 0.00 64.21 64.11 1jpy n SER 46 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1jpy n ARG 47 N -2.70 0.25 -2.29 1.43 1.74 -0.43 -4.83 116.66 109.82 1jpy n ARG 47 Ca -0.24 0.23 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 1jpy n ARG 47 Cb 0.86 -1.80 -0.03 0.00 -1.02 0.00 0.00 32.46 30.46 1jpy n ARG 47 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1jpy s SER 48 N -4.45 7.02 0.61 0.55 0.15 -0.83 -4.91 113.70 111.84 1jpy s SER 48 Ca 0.10 2.48 0.39 0.00 0.70 0.00 0.00 55.95 59.62 1jpy s SER 48 Cb 0.12 -2.64 1.90 0.00 -1.71 0.00 0.00 66.02 63.69 1jpy s SER 48 CO 0.57 -0.35 2.18 0.71 1.20 0.00 0.00 173.24 177.56 1jpy h THR 49 N 3.09 0.01 -2.38 6.45 1.35 -1.88 -2.86 112.91 116.70 1jpy h THR 49 Ca -0.48 -0.26 -0.60 0.00 -0.55 0.00 0.00 66.41 64.52 1jpy h THR 49 Cb 1.22 1.26 -0.42 0.00 -1.73 0.00 0.00 68.15 68.48 1jpy h THR 49 CO 0.67 0.00 -0.60 -1.54 -0.25 0.00 0.00 175.52 173.80 1jpy n SER 50 N -3.10 3.51 -4.69 5.36 3.41 -1.26 -0.28 113.62 116.57 1jpy n SER 50 Ca -0.01 -3.38 -0.33 0.00 -0.26 0.00 0.00 58.87 54.89 1jpy n SER 50 Cb 0.19 -0.69 0.14 0.00 -0.26 0.00 0.00 64.21 63.59 1jpy n SER 50 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1jpy s PRO 51 N -2.23 1.44 0.06 4.33 0.04 -1.08 -4.40 135.00 133.16 1jpy s PRO 51 Ca 0.37 1.72 -0.08 0.00 0.04 0.00 0.00 61.00 63.05 1jpy s PRO 51 Cb 0.11 -1.76 -0.00 0.00 0.04 0.00 0.00 34.50 32.89 1jpy s PRO 51 CO -0.05 -2.36 0.16 1.67 0.04 0.00 0.00 177.00 176.47 1jpy s TRP 52 N -2.27 0.16 0.27 0.56 -2.14 -0.48 -0.76 118.94 114.28 1jpy s TRP 52 Ca 0.72 -0.51 0.08 0.00 2.66 0.00 0.00 56.10 59.04 1jpy s TRP 52 Cb -0.27 -0.09 -0.04 0.00 -3.10 0.00 0.00 33.47 29.97 1jpy s TRP 52 CO 0.53 -0.47 0.13 -0.80 -2.66 0.00 0.00 176.95 173.68 1jpy s ASN 53 N -2.53 5.09 -0.11 -2.66 -0.87 0.14 -4.72 114.94 109.29 1jpy s ASN 53 Ca 0.01 -0.46 -0.00 0.00 -1.57 0.00 0.00 52.86 50.84 1jpy s ASN 53 Cb 0.02 -1.11 -0.02 0.00 -0.02 0.00 0.00 41.25 40.13 1jpy s ASN 53 CO -0.08 -0.08 -0.11 -0.31 -2.57 0.00 0.00 177.10 173.95 1jpy s TYR 54 N -2.24 2.85 -0.22 2.20 2.02 -1.26 -1.19 117.35 119.51 1jpy s TYR 54 Ca 0.34 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.62 1jpy s TYR 54 Cb -0.07 -1.81 0.02 0.00 -0.40 0.00 0.00 41.96 39.70 1jpy s TYR 54 CO 0.23 -0.04 -0.11 0.99 -1.57 0.00 0.00 175.55 175.05 1jpy s THR 55 N 0.02 2.62 -0.20 -0.71 2.01 0.59 -4.98 115.64 114.99 1jpy s THR 55 Ca -0.03 -0.96 -0.21 0.00 0.31 0.00 0.00 61.69 60.80 1jpy s THR 55 Cb -0.14 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 1jpy s THR 55 CO 0.04 0.33 0.63 -0.69 -0.69 0.00 0.00 174.62 174.24 1jpy s VAL 56 N 1.32 5.02 0.01 3.82 1.01 -1.26 -0.28 120.40 130.04 1jpy s VAL 56 Ca 0.02 1.20 0.01 0.00 0.00 0.00 0.00 61.98 63.21 1jpy s VAL 56 Cb -0.15 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1jpy s VAL 56 CO -0.07 0.11 0.03 0.28 0.00 0.00 0.00 175.10 175.45 1jpy s THR 57 N 1.92 4.35 -0.05 3.92 -1.32 -0.70 -4.99 115.64 118.77 1jpy s THR 57 Ca 0.29 -0.58 0.01 0.00 -1.21 0.00 0.00 61.69 60.20 1jpy s THR 57 Cb -0.16 -2.97 0.02 0.00 -1.51 0.00 0.00 72.50 67.88 1jpy s THR 57 CO 0.10 0.33 -0.05 0.86 -2.21 0.00 0.00 174.62 173.66 1jpy s TRP 58 N -1.16 0.79 -0.08 9.09 -0.00 -1.26 -2.02 118.94 124.30 1jpy s TRP 58 Ca 0.22 -0.23 -0.03 0.00 -0.00 0.00 0.00 56.10 56.06 1jpy s TRP 58 Cb -0.12 -0.69 0.04 0.00 -0.00 0.00 0.00 33.47 32.70 1jpy s TRP 58 CO 0.13 -0.20 0.07 0.34 -0.00 0.00 0.00 176.95 177.29 1jpy s ASP 59 N 0.91 1.45 0.51 5.86 -1.08 -0.85 -5.03 116.67 118.45 1jpy s ASP 59 Ca -0.11 -0.10 0.23 0.00 -0.52 0.00 0.00 52.55 52.04 1jpy s ASP 59 Cb -0.14 -0.15 1.37 0.00 -1.46 0.00 0.00 42.92 42.54 1jpy s ASP 59 CO 0.00 -0.28 2.09 1.55 0.52 0.00 0.00 175.17 179.06 1jpy h PRO 60 N 8.43 0.00 -0.76 4.34 0.13 -1.97 -2.45 132.00 139.72 1jpy h PRO 60 Ca -0.13 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.94 1jpy h PRO 60 Cb 1.13 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 1jpy h PRO 60 CO 0.19 0.11 0.08 0.09 -0.23 0.00 0.00 178.00 178.24 1jpy n ASN 61 N -3.99 4.22 -4.07 1.44 3.02 -1.26 -4.87 115.26 109.74 1jpy n ASN 61 Ca -0.02 -2.74 -0.18 0.00 -0.03 0.00 0.00 54.58 51.61 1jpy n ASN 61 Cb 0.19 -0.65 -0.13 0.00 -0.61 0.00 0.00 39.78 38.58 1jpy n ASN 61 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1jpy s ARG 62 N -2.26 0.73 -0.16 3.52 3.52 -0.92 0.09 118.95 123.46 1jpy s ARG 62 Ca 0.39 -0.58 0.00 0.00 -0.13 0.00 0.00 55.73 55.41 1jpy s ARG 62 Cb 0.30 -0.67 0.03 0.00 -1.56 0.00 0.00 34.95 33.05 1jpy s ARG 62 CO 0.11 0.17 -0.12 -0.47 -0.81 0.00 0.00 175.30 174.18 1jpy s TYR 63 N -0.72 2.10 0.77 5.12 5.04 0.47 -1.99 117.35 128.14 1jpy s TYR 63 Ca -0.01 -1.24 -0.11 0.00 -2.44 0.00 0.00 57.07 53.28 1jpy s TYR 63 Cb -0.07 -1.54 0.05 0.00 0.35 0.00 0.00 41.96 40.76 1jpy s TYR 63 CO 0.00 -0.66 1.08 -1.25 -1.34 0.00 0.00 175.55 173.38 1jpy s PRO 64 N 1.51 2.33 0.06 4.97 0.04 -1.26 0.35 135.00 142.99 1jpy s PRO 64 Ca 0.03 1.04 -0.16 0.00 0.04 0.00 0.00 61.00 61.95 1jpy s PRO 64 Cb -0.14 -1.91 -0.20 0.00 0.04 0.00 0.00 34.50 32.29 1jpy s PRO 64 CO -0.10 -1.55 1.21 0.77 0.04 0.00 0.00 177.00 177.37 1jpy h SER 65 N -1.06 0.75 -3.44 6.66 0.02 -1.62 -3.42 113.55 111.44 1jpy h SER 65 Ca -0.44 -0.69 -0.71 0.00 -0.84 0.00 0.00 61.79 59.11 1jpy h SER 65 Cb 1.23 -0.23 -0.20 0.00 0.14 0.00 0.00 62.40 63.35 1jpy h SER 65 CO 0.54 1.33 -0.26 -1.61 -1.14 0.00 0.00 176.83 175.69 1jpy s GLU 66 N -3.49 3.04 -0.31 3.45 2.02 -1.26 -2.00 118.70 120.14 1jpy s GLU 66 Ca -0.12 -0.97 -0.08 0.00 0.02 0.00 0.00 54.97 53.83 1jpy s GLU 66 Cb 0.06 -4.02 0.01 0.00 0.10 0.00 0.00 34.13 30.28 1jpy s GLU 66 CO 0.87 -0.91 0.11 0.08 0.02 0.00 0.00 175.26 175.43 1jpy s VAL 67 N 1.97 4.12 -0.41 2.63 1.01 -0.86 -4.96 120.40 123.91 1jpy s VAL 67 Ca 0.09 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 61.14 1jpy s VAL 67 Cb -0.19 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.04 1jpy s VAL 67 CO 0.11 0.02 0.75 -0.69 0.00 0.00 0.00 175.10 175.29 1jpy s VAL 68 N 1.52 4.72 0.27 2.92 1.01 -1.26 -1.71 120.40 127.86 1jpy s VAL 68 Ca 0.02 0.55 -0.08 0.00 0.00 0.00 0.00 61.98 62.47 1jpy s VAL 68 Cb -0.18 -4.25 -0.06 0.00 0.00 0.00 0.00 36.38 31.90 1jpy s VAL 68 CO 0.04 -0.57 0.57 -1.10 0.00 0.00 0.00 175.10 174.04 1jpy s GLN 69 N 3.11 3.73 0.14 2.72 -1.52 0.62 -4.73 119.66 123.73 1jpy s GLN 69 Ca 0.29 0.19 0.09 0.00 -1.95 0.00 0.00 55.36 53.98 1jpy s GLN 69 Cb -0.13 -2.62 -0.04 0.00 -0.22 0.00 0.00 33.01 30.00 1jpy s GLN 69 CO 0.20 0.24 -0.19 0.00 -0.25 0.00 0.00 175.29 175.29 1jpy s ALA 70 N -1.97 2.67 -0.04 6.09 0.00 0.48 -0.30 121.76 128.68 1jpy s ALA 70 Ca 0.46 -1.42 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 1jpy s ALA 70 Cb -0.11 -0.60 0.03 0.00 0.00 0.00 0.00 23.12 22.45 1jpy s ALA 70 CO 0.26 0.55 0.08 -1.14 0.00 0.00 0.00 175.76 175.51 1jpy s GLN 71 N -2.29 -0.02 0.13 0.00 0.74 -0.33 -4.75 119.66 113.14 1jpy s GLN 71 Ca 0.19 0.34 -0.31 0.00 0.05 0.00 0.00 55.36 55.63 1jpy s GLN 71 Cb -0.10 -0.33 -0.10 0.00 1.10 0.00 0.00 33.01 33.58 1jpy s GLN 71 CO 0.10 -0.24 1.69 0.00 -0.55 0.00 0.00 175.29 176.29 1jpy h ARG 73 N 7.85 0.00 -4.54 0.00 3.08 -1.27 -3.46 114.38 116.03 1jpy h ARG 73 Ca -0.44 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.39 1jpy h ARG 73 Cb 1.21 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.11 1jpy h ARG 73 CO 0.94 0.12 -0.64 -0.80 -1.07 0.00 0.00 179.97 178.51 1jpy s ASN 74 N -6.06 0.48 -0.09 7.04 -0.87 -1.26 -5.04 114.94 109.13 1jpy s ASN 74 Ca -0.02 -1.25 -0.25 0.00 -1.57 0.00 0.00 52.86 49.77 1jpy s ASN 74 Cb 0.12 0.28 -0.28 0.00 -0.02 0.00 0.00 41.25 41.35 1jpy s ASN 74 CO 0.58 -0.73 0.85 0.25 -2.57 0.00 0.00 177.10 175.49 1jpy h LEU 75 N 2.76 0.24 0.00 0.60 5.85 -1.90 -3.39 115.31 119.48 1jpy h LEU 75 Ca -0.36 -0.96 -0.36 0.00 0.84 0.00 0.00 57.88 57.05 1jpy h LEU 75 Cb 1.21 -0.08 0.05 0.00 0.37 0.00 0.00 40.66 42.22 1jpy h LEU 75 CO 0.59 1.18 0.05 0.61 -0.34 0.00 0.00 178.44 180.52 1jpy n GLY 76 N 1.58 1.04 2.95 3.75 0.00 -1.26 -0.55 105.19 112.72 1jpy n GLY 76 Ca -0.12 -2.07 -0.15 0.00 0.00 0.00 0.00 46.02 43.69 1jpy n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jpy s ILE 78 N -1.74 1.48 0.85 0.00 -4.36 0.61 -1.15 121.20 116.89 1jpy s ILE 78 Ca 0.46 -0.77 -0.08 0.00 -0.26 0.00 0.00 60.65 60.00 1jpy s ILE 78 Cb -0.04 -1.25 0.17 0.00 1.25 0.00 0.00 42.46 42.60 1jpy s ILE 78 CO 0.29 0.42 1.17 0.54 0.24 0.00 0.00 174.94 177.60 1jpy s ASN 79 N -0.20 3.67 0.29 4.36 2.20 -1.08 -4.76 114.94 119.41 1jpy s ASN 79 Ca 0.02 -0.08 0.03 0.00 -0.94 0.00 0.00 52.86 51.88 1jpy s ASN 79 Cb -0.10 -0.10 0.67 0.00 -2.00 0.00 0.00 41.25 39.73 1jpy s ASN 79 CO 0.01 -2.34 1.75 0.00 -2.94 0.00 0.00 177.10 173.58 1jpy h ALA 80 N -1.11 1.48 -0.31 3.54 0.00 -2.01 -1.08 119.26 119.77 1jpy h ALA 80 Ca -0.40 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1jpy h ALA 80 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1jpy h ALA 80 CO 0.38 -0.15 0.08 1.96 0.00 0.00 0.00 179.25 181.52 1jpy h GLN 81 N 0.61 0.50 0.00 0.00 7.50 -2.05 -3.47 115.11 118.21 1jpy h GLN 81 Ca 0.54 -0.12 0.00 0.00 0.50 0.00 0.00 58.65 59.57 1jpy h GLN 81 Cb 0.87 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 28.33 1jpy h GLN 81 CO -0.42 0.57 0.00 0.41 -1.50 0.00 0.00 178.83 177.89 1jpy n GLY 82 N -0.57 1.54 3.58 3.46 0.00 -0.41 -5.13 105.19 107.66 1jpy n GLY 82 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1jpy n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jpy s LYS 83 N 0.00 2.66 0.33 1.61 -0.14 -1.26 -4.85 119.74 118.09 1jpy s LYS 83 Ca 0.00 -0.62 -0.29 0.00 -1.36 0.00 0.00 55.97 53.70 1jpy s LYS 83 Cb 0.00 -2.54 -0.11 0.00 -1.68 0.00 0.00 37.83 33.49 1jpy s LYS 83 CO 0.00 0.64 1.53 -1.91 -0.76 0.00 0.00 175.35 174.85 1jpy n GLU 84 N 2.00 2.66 -3.74 1.68 2.13 -1.26 -2.64 120.64 121.48 1jpy n GLU 84 Ca -0.17 0.94 -0.29 0.00 0.66 0.00 0.00 57.16 58.30 1jpy n GLU 84 Cb 0.53 -2.69 -0.13 0.00 0.27 0.00 0.00 31.44 29.42 1jpy n GLU 84 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1jpy s ASP 85 N 0.17 3.69 0.00 4.31 2.15 -0.30 -4.95 116.67 121.75 1jpy s ASP 85 Ca 0.59 -2.81 0.00 0.00 0.43 0.00 0.00 52.55 50.75 1jpy s ASP 85 Cb -0.49 -1.12 0.00 0.00 -0.30 0.00 0.00 42.92 41.01 1jpy s ASP 85 CO 0.56 -0.24 0.24 2.30 -0.17 0.00 0.00 175.17 177.86 1jpy n ILE 86 N 3.30 0.00 0.21 4.11 -0.00 -1.26 -1.20 119.36 124.53 1jpy n ILE 86 Ca 0.11 0.00 0.12 0.00 -0.00 0.00 0.00 62.75 62.97 1jpy n ILE 86 Cb 0.35 -0.30 0.16 0.00 -0.00 0.00 0.00 39.64 39.85 1jpy n ILE 86 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 1jpy h SER 87 N 0.19 0.00 -2.59 7.28 4.64 -1.96 -3.45 113.55 117.66 1jpy h SER 87 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 1jpy h SER 87 Cb 0.04 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.99 1jpy h SER 87 CO 0.00 0.01 -0.73 -0.04 -0.87 0.00 0.00 176.83 175.20 1jpy s MET 88 N -3.22 1.92 -0.04 4.77 -1.94 -0.34 -4.34 119.30 116.12 1jpy s MET 88 Ca 0.06 -1.50 0.06 0.00 -1.71 0.00 0.00 55.69 52.61 1jpy s MET 88 Cb 0.05 -1.99 -0.01 0.00 2.01 0.00 0.00 34.83 34.89 1jpy s MET 88 CO 0.68 0.38 -0.22 -0.80 -0.01 0.00 0.00 175.02 175.05 1jpy s ASN 89 N -3.23 2.70 -0.44 3.03 0.02 0.10 -3.70 114.94 113.42 1jpy s ASN 89 Ca 0.27 -0.43 -0.19 0.00 -1.02 0.00 0.00 52.86 51.49 1jpy s ASN 89 Cb -0.07 -0.55 0.03 0.00 0.02 0.00 0.00 41.25 40.68 1jpy s ASN 89 CO 0.15 0.24 0.55 -0.44 0.02 0.00 0.00 177.10 177.63 1jpy s SER 90 N -0.28 6.26 0.09 -1.22 0.01 0.29 -0.56 113.70 118.28 1jpy s SER 90 Ca 0.02 -0.54 0.10 0.00 1.31 0.00 0.00 55.95 56.84 1jpy s SER 90 Cb -0.11 -2.28 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 1jpy s SER 90 CO 0.01 -0.71 -0.26 0.68 0.41 0.00 0.00 173.24 173.38 1jpy s VAL 91 N 2.51 2.11 0.52 3.43 -7.23 -0.88 -4.80 120.40 116.05 1jpy s VAL 91 Ca 0.17 -1.54 -0.15 0.00 -1.81 0.00 0.00 61.98 58.65 1jpy s VAL 91 Cb -0.16 -1.84 -0.07 0.00 0.56 0.00 0.00 36.38 34.87 1jpy s VAL 91 CO 0.16 0.20 0.96 -2.16 -0.31 0.00 0.00 175.10 173.95 1jpy s PRO 92 N -1.63 3.88 -0.25 4.82 0.04 -1.26 -1.92 135.00 138.67 1jpy s PRO 92 Ca 0.12 0.86 -0.05 0.00 0.04 0.00 0.00 61.00 61.97 1jpy s PRO 92 Cb -0.10 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1jpy s PRO 92 CO 0.04 -0.28 0.00 0.42 0.04 0.00 0.00 177.00 177.22 1jpy s ILE 93 N -2.67 3.56 -0.13 0.56 1.01 0.95 -4.89 121.20 119.60 1jpy s ILE 93 Ca 0.57 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 60.57 1jpy s ILE 93 Cb -0.10 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 1jpy s ILE 93 CO 0.34 0.27 0.02 -1.10 0.00 0.00 0.00 174.94 174.48 1jpy s GLN 94 N 1.47 3.43 -0.04 2.79 -0.21 -1.26 -1.25 119.66 124.60 1jpy s GLN 94 Ca 0.04 -0.39 0.05 0.00 0.02 0.00 0.00 55.36 55.09 1jpy s GLN 94 Cb -0.16 -2.97 -0.01 0.00 1.00 0.00 0.00 33.01 30.88 1jpy s GLN 94 CO -0.01 0.50 -0.20 -1.14 -2.12 0.00 0.00 175.29 172.32 1jpy s GLN 95 N -0.31 1.96 -0.10 2.91 2.00 0.10 -4.95 119.66 121.26 1jpy s GLN 95 Ca 0.07 -0.73 -0.28 0.00 -2.00 0.00 0.00 55.36 52.42 1jpy s GLN 95 Cb -0.12 -1.75 -0.02 0.00 0.80 0.00 0.00 33.01 31.93 1jpy s GLN 95 CO 0.02 0.35 0.92 -2.00 -0.50 0.00 0.00 175.29 174.08 1jpy s GLU 96 N -0.18 4.41 0.30 1.67 2.12 -1.26 -0.27 118.70 125.49 1jpy s GLU 96 Ca -0.00 1.24 0.03 0.00 0.36 0.00 0.00 54.97 56.60 1jpy s GLU 96 Cb -0.11 -3.53 -0.05 0.00 0.26 0.00 0.00 34.13 30.70 1jpy s GLU 96 CO 0.02 -0.24 0.08 -0.08 -0.54 0.00 0.00 175.26 174.50 1jpy s THR 97 N 1.79 0.85 -0.09 -1.70 -1.32 0.67 -4.96 115.64 110.88 1jpy s THR 97 Ca 0.45 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 58.97 1jpy s THR 97 Cb -0.18 -2.69 -0.01 0.00 -1.51 0.00 0.00 72.50 68.11 1jpy s THR 97 CO 0.18 0.00 -0.22 -0.22 -2.21 0.00 0.00 174.62 172.15 1jpy s LEU 98 N -3.42 2.23 0.10 9.08 2.96 -1.26 -0.96 118.68 127.41 1jpy s LEU 98 Ca 0.36 -0.49 0.06 0.00 -0.22 0.00 0.00 54.13 53.84 1jpy s LEU 98 Cb 0.08 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.29 1jpy s LEU 98 CO 0.15 0.19 -0.15 0.68 -1.32 0.00 0.00 176.35 175.91 1jpy s VAL 99 N 0.15 1.24 -0.07 1.68 -7.23 0.19 -4.85 120.40 111.51 1jpy s VAL 99 Ca -0.12 -1.50 -0.14 0.00 -1.81 0.00 0.00 61.98 58.40 1jpy s VAL 99 Cb -0.16 -1.31 -0.05 0.00 0.56 0.00 0.00 36.38 35.42 1jpy s VAL 99 CO 0.07 -0.30 0.37 -0.69 -0.31 0.00 0.00 175.10 174.23 1jpy s VAL 100 N -1.66 5.17 -0.14 1.32 1.01 0.16 -0.37 120.40 125.89 1jpy s VAL 100 Ca 0.03 0.73 -0.05 0.00 0.00 0.00 0.00 61.98 62.69 1jpy s VAL 100 Cb -0.08 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1jpy s VAL 100 CO 0.03 0.50 0.02 -0.60 0.00 0.00 0.00 175.10 175.04 1jpy s ARG 101 N -0.42 3.56 -0.13 2.72 3.52 0.15 -0.39 118.95 127.95 1jpy s ARG 101 Ca 0.21 -0.40 -0.22 0.00 -0.13 0.00 0.00 55.73 55.20 1jpy s ARG 101 Cb -0.15 -3.00 -0.03 0.00 -1.56 0.00 0.00 34.95 30.21 1jpy s ARG 101 CO 0.10 0.43 0.67 0.50 -0.81 0.00 0.00 175.30 176.18 1jpy s ARG 102 N -0.11 4.33 0.10 5.12 3.52 0.11 -1.88 118.95 130.14 1jpy s ARG 102 Ca 0.05 0.75 0.10 0.00 -0.13 0.00 0.00 55.73 56.50 1jpy s ARG 102 Cb -0.12 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 1jpy s ARG 102 CO 0.02 -0.08 -0.25 0.15 -0.81 0.00 0.00 175.30 174.33 1jpy s LYS 103 N 1.35 1.61 1.09 5.12 1.02 0.99 -4.93 119.74 125.98 1jpy s LYS 103 Ca 0.33 -1.24 0.00 0.00 0.02 0.00 0.00 55.97 55.08 1jpy s LYS 103 Cb -0.17 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 1jpy s LYS 103 CO 0.14 0.48 0.00 0.72 -0.92 0.00 0.00 175.35 175.76 1jpy n HIS 104 N 1.13 -1.96 -4.37 3.18 8.25 -1.26 -0.78 115.22 119.40 1jpy n HIS 104 Ca -0.17 0.31 -0.19 0.00 -0.26 0.00 0.00 57.72 57.41 1jpy n HIS 104 Cb 0.53 -0.47 -0.10 0.00 1.12 0.00 0.00 29.99 31.07 1jpy n HIS 104 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1jpy s GLN 105 N -0.53 1.45 0.80 -0.41 -0.21 -1.26 -4.71 119.66 114.78 1jpy s GLN 105 Ca 0.00 -1.75 0.00 0.00 0.02 0.00 0.00 55.36 53.63 1jpy s GLN 105 Cb 0.00 -0.75 0.00 0.00 1.00 0.00 0.00 33.01 33.26 1jpy s GLN 105 CO 0.00 -0.10 0.00 0.41 -2.12 0.00 0.00 175.29 173.48 1jpy n GLY 106 N -0.51 2.64 0.22 3.09 0.00 -1.26 -1.84 105.19 107.54 1jpy n GLY 106 Ca -0.04 0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1jpy n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jpy n SER 108 N -4.26 0.63 -4.68 0.00 7.64 -0.76 -4.91 113.62 107.27 1jpy n SER 108 Ca -0.02 -2.02 -0.43 0.00 1.01 0.00 0.00 58.87 57.40 1jpy n SER 108 Cb 0.26 -0.19 -0.01 0.00 -1.01 0.00 0.00 64.21 63.26 1jpy n SER 108 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1jpy n VAL 109 N -0.22 1.73 -3.92 0.44 3.14 -1.00 -4.56 118.33 113.95 1jpy n VAL 109 Ca 0.02 -0.43 -0.09 0.00 -2.96 0.00 0.00 64.34 60.88 1jpy n VAL 109 Cb 0.13 -1.50 -0.08 0.00 -1.06 0.00 0.00 33.84 31.33 1jpy n VAL 109 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1jpy s SER 110 N -0.18 0.20 0.02 6.55 1.04 0.03 -4.99 113.70 116.38 1jpy s SER 110 Ca 0.59 -0.67 0.05 0.00 0.48 0.00 0.00 55.95 56.40 1jpy s SER 110 Cb -0.60 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 65.79 1jpy s SER 110 CO 0.59 -0.65 -0.15 -0.36 0.98 0.00 0.00 173.24 173.65 1jpy s PHE 111 N -3.53 1.36 -0.00 5.02 0.08 -1.26 -0.01 117.98 119.64 1jpy s PHE 111 Ca 0.03 -0.32 0.02 0.00 0.12 0.00 0.00 56.93 56.77 1jpy s PHE 111 Cb 0.04 -0.83 -0.00 0.00 -0.57 0.00 0.00 43.02 41.66 1jpy s PHE 111 CO -0.09 0.03 -0.05 -1.14 -0.10 0.00 0.00 175.22 173.87 1jpy s GLN 112 N -0.89 0.41 0.34 0.44 0.74 -0.79 -4.99 119.66 114.93 1jpy s GLN 112 Ca 0.04 -0.21 -0.26 0.00 0.05 0.00 0.00 55.36 54.98 1jpy s GLN 112 Cb -0.07 -0.38 -0.09 0.00 1.10 0.00 0.00 33.01 33.56 1jpy s GLN 112 CO 0.01 0.10 1.05 -0.51 -0.55 0.00 0.00 175.29 175.39 1jpy s LEU 113 N -0.20 4.32 -0.01 3.68 1.43 -1.26 -0.68 118.68 125.96 1jpy s LEU 113 Ca 0.01 2.09 0.01 0.00 -1.03 0.00 0.00 54.13 55.21 1jpy s LEU 113 Cb -0.02 -3.96 0.00 0.00 0.03 0.00 0.00 46.19 42.24 1jpy s LEU 113 CO -0.00 -0.30 -0.04 -0.70 0.23 0.00 0.00 176.35 175.53 1jpy s GLU 114 N -2.04 0.48 -0.23 1.70 2.12 0.50 -4.87 118.70 116.36 1jpy s GLU 114 Ca 0.52 -0.14 -0.09 0.00 0.36 0.00 0.00 54.97 55.62 1jpy s GLU 114 Cb -0.25 -0.49 -0.04 0.00 0.26 0.00 0.00 34.13 33.60 1jpy s GLU 114 CO 0.32 0.05 0.11 -1.59 -0.54 0.00 0.00 175.26 173.61 1jpy s LYS 115 N 0.20 3.90 -0.02 4.30 -2.85 -1.26 0.56 119.74 124.57 1jpy s LYS 115 Ca -0.02 -0.36 0.06 0.00 -1.00 0.00 0.00 55.97 54.65 1jpy s LYS 115 Cb -0.06 -3.40 -0.01 0.00 -2.06 0.00 0.00 37.83 32.30 1jpy s LYS 115 CO -0.00 0.01 -0.20 0.14 0.10 0.00 0.00 175.35 175.40 1jpy s VAL 116 N 1.13 1.56 -0.21 1.79 -7.23 -0.13 -4.96 120.40 112.33 1jpy s VAL 116 Ca 0.06 -0.83 -0.19 0.00 -1.81 0.00 0.00 61.98 59.20 1jpy s VAL 116 Cb -0.14 -1.30 -0.03 0.00 0.56 0.00 0.00 36.38 35.47 1jpy s VAL 116 CO 0.04 0.44 0.56 -0.76 -0.31 0.00 0.00 175.10 175.07 1jpy s LEU 117 N -0.38 4.12 -0.10 1.32 1.43 -1.26 -0.24 118.68 123.57 1jpy s LEU 117 Ca 0.05 0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 53.84 1jpy s LEU 117 Cb -0.08 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.35 1jpy s LEU 117 CO -0.00 -0.24 -0.06 -0.69 0.23 0.00 0.00 176.35 175.59 1jpy s VAL 118 N 1.88 3.73 -0.38 -1.59 1.01 0.63 -4.93 120.40 120.75 1jpy s VAL 118 Ca 0.25 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 61.62 1jpy s VAL 118 Cb -0.16 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.66 1jpy s VAL 118 CO 0.10 0.56 0.40 -0.89 0.00 0.00 0.00 175.10 175.26 1jpy s THR 119 N -0.29 5.13 0.02 3.92 2.01 -1.26 0.00 115.64 125.17 1jpy s THR 119 Ca 0.04 -0.17 0.08 0.00 0.31 0.00 0.00 61.69 61.95 1jpy s THR 119 Cb -0.13 -3.93 -0.23 0.00 0.01 0.00 0.00 72.50 68.22 1jpy s THR 119 CO 0.02 -0.26 0.90 0.58 -0.69 0.00 0.00 174.62 175.18 1jpy h VAL 120 N 5.63 1.19 0.00 3.82 2.07 -1.49 0.14 116.25 127.61 1jpy h VAL 120 Ca -0.28 -2.96 0.00 0.00 0.82 0.00 0.00 66.70 64.28 1jpy h VAL 120 Cb 1.13 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.52 1jpy h VAL 120 CO 0.74 0.72 0.00 0.61 0.02 0.00 0.00 177.57 179.67 1jpy n GLY 121 N 1.51 -1.50 3.46 2.17 0.00 -1.24 -4.80 105.19 104.79 1jpy n GLY 121 Ca -0.11 -1.04 -0.24 0.00 0.00 0.00 0.00 46.02 44.63 1jpy n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jpy s THR 123 N -2.34 1.30 -0.23 0.00 -1.32 -0.81 -4.83 115.64 107.41 1jpy s THR 123 Ca 0.28 -2.09 -0.08 0.00 -1.21 0.00 0.00 61.69 58.58 1jpy s THR 123 Cb -0.06 -2.04 -0.04 0.00 -1.51 0.00 0.00 72.50 68.85 1jpy s THR 123 CO 0.14 -0.59 0.09 0.00 -2.21 0.00 0.00 174.62 172.05 1jpy s VAL 125 N 1.22 1.81 -0.11 0.00 -7.23 0.27 -4.94 120.40 111.42 1jpy s VAL 125 Ca 0.05 -2.03 -0.19 0.00 -1.81 0.00 0.00 61.98 58.01 1jpy s VAL 125 Cb -0.14 -2.88 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 1jpy s VAL 125 CO 0.04 -0.04 0.50 0.42 -0.31 0.00 0.00 175.10 175.71 1jpy s THR 126 N -2.86 5.16 0.91 5.32 -4.23 -1.26 -0.73 115.64 117.95 1jpy s THR 126 Ca 0.35 1.00 -0.13 0.00 -1.18 0.00 0.00 61.69 61.73 1jpy s THR 126 Cb 0.09 -3.84 0.04 0.00 1.34 0.00 0.00 72.50 70.13 1jpy s THR 126 CO 0.17 0.33 0.52 -2.65 -0.54 0.00 0.00 174.62 172.45 1jpy n PRO 127 N 3.58 -0.19 0.00 3.99 -0.02 -1.26 -4.92 135.00 136.18 1jpy n PRO 127 Ca -0.07 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1jpy n PRO 127 Cb 0.52 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1jpy n PRO 127 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76