#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jpy n GLY 7 N 0.00 3.33 3.76 2.92 0.00 -1.26 -5.11 105.19 108.84 1jpy n GLY 7 Ca 0.00 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 1jpy n GLY 7 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jpy s HIS 8 N 0.00 2.55 0.41 1.61 4.02 -1.26 -5.07 115.29 117.55 1jpy s HIS 8 Ca 0.00 1.56 0.06 0.00 1.02 0.00 0.00 55.06 57.70 1jpy s HIS 8 Cb 0.00 -3.06 0.01 0.00 -1.02 0.00 0.00 32.58 28.51 1jpy s HIS 8 CO 0.00 -1.83 0.57 0.99 1.02 0.00 0.00 174.74 175.49 1jpy s THR 9 N -2.90 3.42 0.42 1.30 2.01 -1.26 -4.98 115.64 113.64 1jpy s THR 9 Ca 0.61 -0.92 0.35 0.00 0.31 0.00 0.00 61.69 62.04 1jpy s THR 9 Cb -0.17 -3.18 0.37 0.00 0.01 0.00 0.00 72.50 69.52 1jpy s THR 9 CO 0.56 -0.08 2.15 0.15 -0.69 0.00 0.00 174.62 176.71 1jpy h PHE 10 N 0.64 0.00 0.00 4.92 3.57 -2.06 -3.01 116.94 121.01 1jpy h PHE 10 Ca -0.43 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1jpy h PHE 10 Cb 1.27 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.01 1jpy h PHE 10 CO 0.41 0.05 -1.23 1.19 -2.23 0.00 0.00 178.31 176.49 1jpy n PHE 11 N -3.33 0.00 -1.99 0.41 3.72 -1.26 -5.01 117.46 110.00 1jpy n PHE 11 Ca -0.02 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.05 1jpy n PHE 11 Cb 0.20 -0.15 0.02 0.00 -0.94 0.00 0.00 39.48 38.61 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 -3.01 3.17 0.28 -1.08 -0.21 -1.14 -4.96 119.66 112.71 1jpy s GLN 12 Ca 0.03 1.32 0.10 0.00 0.02 0.00 0.00 55.36 56.82 1jpy s GLN 12 Cb 0.14 -2.00 -0.05 0.00 1.00 0.00 0.00 33.01 32.10 1jpy s GLN 12 CO 0.81 -0.95 -0.05 0.15 -2.12 0.00 0.00 175.29 173.13 1jpy s LYS 13 N -3.96 2.11 0.27 2.91 1.02 -1.26 -4.90 119.74 115.93 1jpy s LYS 13 Ca 0.66 -1.55 -0.31 0.00 0.02 0.00 0.00 55.97 54.79 1jpy s LYS 13 Cb -0.18 -2.03 -0.12 0.00 -0.52 0.00 0.00 37.83 34.97 1jpy s LYS 13 CO 0.37 0.32 1.58 -2.30 -0.92 0.00 0.00 175.35 174.40 1jpy n PRO 14 N -0.84 2.58 -0.36 -1.68 -0.02 -1.26 -4.81 135.00 128.61 1jpy n PRO 14 Ca -0.06 0.92 0.32 0.00 -2.02 0.00 0.00 63.50 62.66 1jpy n PRO 14 Cb 0.60 -2.69 0.59 0.00 -0.02 0.00 0.00 33.50 31.97 1jpy n PRO 14 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1jpy h GLU 15 N 5.02 0.08 -0.07 -0.52 3.07 -2.05 0.16 114.58 120.27 1jpy h GLU 15 Ca -0.46 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 1jpy h GLU 15 Cb 1.23 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 1jpy h GLU 15 CO 0.81 0.05 0.00 -1.13 -1.40 0.00 0.00 179.01 177.35 1jpy n SER 16 N -5.06 0.68 -4.55 1.42 3.41 -1.26 -4.99 113.62 103.26 1jpy n SER 16 Ca 0.37 -1.59 -0.36 0.00 -0.26 0.00 0.00 58.87 57.03 1jpy n SER 16 Cb 1.28 -0.05 0.08 0.00 -0.26 0.00 0.00 64.21 65.26 1jpy n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jpy n PRO 18 N -1.43 0.06 -0.50 0.00 -0.02 -1.26 -5.10 135.00 126.75 1jpy n PRO 18 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1jpy n PRO 18 Cb 0.50 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 1jpy n PRO 18 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1jpy n SER 24 N -0.73 -0.26 -4.53 2.55 7.64 -1.26 -5.25 113.62 111.78 1jpy n SER 24 Ca 0.01 0.23 -0.28 0.00 1.01 0.00 0.00 58.87 59.83 1jpy n SER 24 Cb 0.00 -0.35 0.24 0.00 -1.01 0.00 0.00 64.21 63.09 1jpy n SER 24 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1jpy s MET 25 N 0.00 -0.70 -0.19 1.43 1.00 -1.26 -5.03 119.30 114.55 1jpy s MET 25 Ca 0.00 0.77 -0.13 0.00 0.00 0.00 0.00 55.69 56.33 1jpy s MET 25 Cb 0.00 -1.58 -0.05 0.00 0.00 0.00 0.00 34.83 33.20 1jpy s MET 25 CO 0.00 -3.56 0.26 0.21 0.00 0.00 0.00 175.02 171.93 1jpy s LYS 26 N -4.56 4.20 -0.31 2.03 2.20 -1.26 -5.07 119.74 116.96 1jpy s LYS 26 Ca 0.68 -0.01 0.03 0.00 -0.36 0.00 0.00 55.97 56.31 1jpy s LYS 26 Cb -0.24 -3.47 0.09 0.00 -1.51 0.00 0.00 37.83 32.70 1jpy s LYS 26 CO 0.63 0.16 0.02 -1.17 -0.36 0.00 0.00 175.35 174.63 1jpy s LEU 27 N 0.73 4.03 0.89 5.43 2.96 -1.26 -5.11 118.68 126.36 1jpy s LEU 27 Ca 0.14 -1.88 -0.11 0.00 -0.22 0.00 0.00 54.13 52.06 1jpy s LEU 27 Cb -0.13 -1.48 0.13 0.00 0.50 0.00 0.00 46.19 45.21 1jpy s LEU 27 CO 0.04 -0.34 1.16 -1.81 -1.32 0.00 0.00 176.35 174.08 1jpy s ASP 28 N 1.07 3.02 0.31 3.68 1.01 -1.26 -5.00 116.67 119.49 1jpy s ASP 28 Ca 0.06 2.24 -0.05 0.00 0.71 0.00 0.00 52.55 55.51 1jpy s ASP 28 Cb -0.19 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.12 1jpy s ASP 28 CO -0.09 -3.04 0.57 0.27 0.21 0.00 0.00 175.17 173.08 1jpy s ILE 29 N -2.53 5.02 0.00 0.77 -0.00 -1.26 -4.98 121.20 118.21 1jpy s ILE 29 Ca 0.68 0.04 0.00 0.00 -0.00 0.00 0.00 60.65 61.37 1jpy s ILE 29 Cb -0.24 -3.75 0.00 0.00 -0.00 0.00 0.00 42.46 38.47 1jpy s ILE 29 CO 0.56 -0.37 0.00 0.61 -0.00 0.00 0.00 174.94 175.74 1jpy n GLY 30 N -1.08 0.55 3.24 6.27 0.00 -1.26 -4.99 105.19 107.92 1jpy n GLY 30 Ca -0.02 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.10 3.23 0.08 -0.61 1.01 -1.26 -5.07 121.20 116.47 1jpy s ILE 31 Ca 0.00 -1.00 -0.34 0.00 0.00 0.00 0.00 60.65 59.31 1jpy s ILE 31 Cb 0.00 -2.69 -0.14 0.00 0.01 0.00 0.00 42.46 39.64 1jpy s ILE 31 CO 0.00 0.10 1.64 -0.38 0.00 0.00 0.00 174.94 176.30 1jpy n ILE 32 N 4.72 0.16 -3.71 2.92 5.41 -1.26 -1.65 119.36 125.94 1jpy n ILE 32 Ca -0.15 -0.03 -0.26 0.00 1.00 0.00 0.00 62.75 63.31 1jpy n ILE 32 Cb 0.47 -1.54 0.06 0.00 -0.71 0.00 0.00 39.64 37.91 1jpy n ILE 32 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1jpy n ASN 33 N 4.23 -5.81 -0.14 4.38 3.02 -1.26 -4.87 115.26 114.80 1jpy n ASN 33 Ca 0.19 -0.63 -0.03 0.00 -0.03 0.00 0.00 54.58 54.08 1jpy n ASN 33 Cb 0.27 -4.59 0.17 0.00 -0.61 0.00 0.00 39.78 35.02 1jpy n ASN 33 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1jpy h GLU 34 N -2.46 0.86 -4.87 3.52 4.81 -1.75 -3.33 114.58 111.35 1jpy h GLU 34 Ca -0.57 -0.18 -0.70 0.00 -0.13 0.00 0.00 59.36 57.78 1jpy h GLU 34 Cb 1.37 -0.12 -0.19 0.00 0.63 0.00 0.00 28.75 30.44 1jpy h GLU 34 CO 0.60 0.78 0.53 -0.80 -0.73 0.00 0.00 179.01 179.39 1jpy s ASN 35 N -6.57 6.47 -0.30 1.04 0.02 -1.26 -4.85 114.94 109.49 1jpy s ASN 35 Ca -0.10 -1.81 -0.15 0.00 -1.02 0.00 0.00 52.86 49.78 1jpy s ASN 35 Cb 0.15 -2.36 0.15 0.00 0.02 0.00 0.00 41.25 39.22 1jpy s ASN 35 CO 0.81 -1.08 0.97 -1.58 0.02 0.00 0.00 177.10 176.24 1jpy s GLN 36 N 2.60 0.34 0.19 -0.60 0.74 -1.25 -5.18 119.66 116.50 1jpy s GLN 36 Ca 0.24 0.73 0.10 0.00 0.05 0.00 0.00 55.36 56.48 1jpy s GLN 36 Cb -0.12 0.29 -0.04 0.00 1.10 0.00 0.00 33.01 34.24 1jpy s GLN 36 CO -0.03 -0.09 -0.20 0.50 -0.55 0.00 0.00 175.29 174.92 1jpy s ARG 37 N 1.96 1.40 0.18 1.67 3.52 -1.26 -5.11 118.95 121.30 1jpy s ARG 37 Ca -0.06 -1.50 -0.30 0.00 -0.13 0.00 0.00 55.73 53.75 1jpy s ARG 37 Cb -0.05 -1.53 -0.08 0.00 -1.56 0.00 0.00 34.95 31.73 1jpy s ARG 37 CO -0.16 0.31 1.25 0.54 -0.81 0.00 0.00 175.30 176.43 1jpy s VAL 38 N -2.04 3.43 -0.40 7.11 0.11 -1.26 -5.02 120.40 122.33 1jpy s VAL 38 Ca 0.19 1.17 0.03 0.00 -2.93 0.00 0.00 61.98 60.45 1jpy s VAL 38 Cb -0.06 -3.75 0.11 0.00 -1.53 0.00 0.00 36.38 31.15 1jpy s VAL 38 CO 0.09 0.17 0.14 -0.55 -3.33 0.00 0.00 175.10 171.61 1jpy s SER 39 N 0.32 4.45 0.15 3.54 0.15 -1.26 -5.11 113.70 115.94 1jpy s SER 39 Ca 0.55 -2.40 0.11 0.00 0.70 0.00 0.00 55.95 54.91 1jpy s SER 39 Cb -0.34 -1.49 -0.04 0.00 -1.71 0.00 0.00 66.02 62.43 1jpy s SER 39 CO 0.37 -0.33 -0.25 -0.04 1.20 0.00 0.00 173.24 174.18 1jpy s MET 40 N 0.57 1.42 0.09 5.44 -1.94 -1.26 -5.09 119.30 118.52 1jpy s MET 40 Ca 0.13 -1.40 -0.36 0.00 -1.71 0.00 0.00 55.69 52.35 1jpy s MET 40 Cb -0.21 -1.83 -0.17 0.00 2.01 0.00 0.00 34.83 34.62 1jpy s MET 40 CO -0.07 0.42 1.17 0.43 -0.01 0.00 0.00 175.02 176.96 1jpy n SER 41 N 0.68 0.91 -4.58 3.03 7.64 -1.26 -4.82 113.62 115.23 1jpy n SER 41 Ca -0.16 1.14 -0.40 0.00 1.01 0.00 0.00 58.87 60.45 1jpy n SER 41 Cb 0.54 -1.10 0.02 0.00 -1.01 0.00 0.00 64.21 62.66 1jpy n SER 41 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1jpy n ARG 42 N 1.95 1.11 -4.42 1.43 1.74 -1.26 -1.76 116.66 115.44 1jpy n ARG 42 Ca 0.18 0.40 -0.40 0.00 -0.77 0.00 0.00 57.85 57.26 1jpy n ARG 42 Cb 0.17 -1.97 -0.06 0.00 -1.02 0.00 0.00 32.46 29.58 1jpy n ARG 42 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1jpy n ASN 43 N 0.37 -2.24 0.23 0.55 3.02 -1.26 -4.79 115.26 111.14 1jpy n ASN 43 Ca 0.11 -1.16 0.07 0.00 -0.03 0.00 0.00 54.58 53.56 1jpy n ASN 43 Cb 0.41 -2.02 0.59 0.00 -0.61 0.00 0.00 39.78 38.15 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 -1.13 1.04 0.00 2.41 2.10 -1.69 -0.95 117.51 119.29 1jpy h ILE 44 Ca -0.60 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 65.17 1jpy h ILE 44 Cb 1.39 1.05 0.00 0.00 -1.09 0.00 0.00 36.82 38.16 1jpy h ILE 44 CO 0.85 0.05 0.00 -1.84 -1.08 0.00 0.00 178.15 176.13 1jpy n GLU 45 N -4.48 0.47 -0.07 2.19 0.00 -1.26 -2.76 120.64 114.73 1jpy n GLU 45 Ca -0.02 0.03 -0.14 0.00 0.00 0.00 0.00 57.16 57.02 1jpy n GLU 45 Cb 0.13 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.01 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 -1.23 1.66 0.00 -1.84 7.64 -0.52 -1.47 113.62 117.85 1jpy n SER 46 Ca 0.14 0.10 0.07 0.00 1.01 0.00 0.00 58.87 60.19 1jpy n SER 46 Cb 0.19 -0.36 0.35 0.00 -1.01 0.00 0.00 64.21 63.37 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 -3.42 0.21 -2.94 1.43 1.74 -0.48 -4.76 116.66 108.45 1jpy n ARG 47 Ca -0.28 0.15 -0.34 0.00 -0.77 0.00 0.00 57.85 56.60 1jpy n ARG 47 Cb 0.72 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.60 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 -2.53 7.03 0.54 0.55 0.15 -1.11 -4.94 113.70 113.40 1jpy s SER 48 Ca 0.13 1.58 0.31 0.00 0.70 0.00 0.00 55.95 58.68 1jpy s SER 48 Cb 0.09 -2.49 1.53 0.00 -1.71 0.00 0.00 66.02 63.45 1jpy s SER 48 CO 0.20 -0.17 2.07 0.71 1.20 0.00 0.00 173.24 177.25 1jpy h THR 49 N 2.26 0.35 -2.53 6.45 1.35 -1.86 -2.98 112.91 115.95 1jpy h THR 49 Ca -0.48 -0.51 -0.60 0.00 -0.55 0.00 0.00 66.41 64.27 1jpy h THR 49 Cb 1.18 1.37 -0.41 0.00 -1.73 0.00 0.00 68.15 68.57 1jpy h THR 49 CO 0.64 0.08 -0.70 -1.54 -0.25 0.00 0.00 175.52 173.75 1jpy n SER 50 N -3.40 2.46 -4.75 5.36 3.41 -1.26 0.49 113.62 115.93 1jpy n SER 50 Ca -0.01 -3.12 -0.31 0.00 -0.26 0.00 0.00 58.87 55.17 1jpy n SER 50 Cb 0.25 -0.68 0.10 0.00 -0.26 0.00 0.00 64.21 63.61 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 -1.59 2.09 0.08 4.33 0.04 -1.13 -4.43 135.00 134.39 1jpy s PRO 51 Ca 0.33 1.25 -0.02 0.00 0.04 0.00 0.00 61.00 62.60 1jpy s PRO 51 Cb 0.06 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 1jpy s PRO 51 CO -0.11 -1.78 0.03 1.67 0.04 0.00 0.00 177.00 176.84 1jpy s TRP 52 N -2.82 0.60 0.17 0.56 -2.14 -0.54 -0.94 118.94 113.83 1jpy s TRP 52 Ca 0.63 -1.08 0.04 0.00 2.66 0.00 0.00 56.10 58.34 1jpy s TRP 52 Cb -0.18 -0.38 -0.04 0.00 -3.10 0.00 0.00 33.47 29.77 1jpy s TRP 52 CO 0.55 -0.45 0.26 -0.80 -2.66 0.00 0.00 176.95 173.85 1jpy s ASN 53 N -2.96 6.11 -0.21 -2.66 -0.87 0.11 -4.75 114.94 109.72 1jpy s ASN 53 Ca 0.13 0.07 -0.02 0.00 -1.57 0.00 0.00 52.86 51.47 1jpy s ASN 53 Cb 0.07 -1.77 0.00 0.00 -0.02 0.00 0.00 41.25 39.53 1jpy s ASN 53 CO -0.06 0.04 -0.10 -0.31 -2.57 0.00 0.00 177.10 174.10 1jpy s TYR 54 N -1.79 2.89 -0.28 2.20 2.02 -1.26 -1.11 117.35 120.03 1jpy s TYR 54 Ca 0.34 -1.22 -0.08 0.00 -0.37 0.00 0.00 57.07 55.73 1jpy s TYR 54 Cb -0.10 -2.03 -0.02 0.00 -0.40 0.00 0.00 41.96 39.40 1jpy s TYR 54 CO 0.27 -0.65 0.11 0.99 -1.57 0.00 0.00 175.55 174.70 1jpy s THR 55 N 1.40 4.47 -0.46 -0.71 2.01 0.18 -4.94 115.64 117.59 1jpy s THR 55 Ca 0.05 -0.27 -0.12 0.00 0.31 0.00 0.00 61.69 61.66 1jpy s THR 55 Cb -0.14 -3.18 0.09 0.00 0.01 0.00 0.00 72.50 69.29 1jpy s THR 55 CO -0.07 0.22 0.35 -0.69 -0.69 0.00 0.00 174.62 173.74 1jpy s VAL 56 N 1.62 4.69 0.43 3.82 1.01 -1.26 0.01 120.40 130.72 1jpy s VAL 56 Ca 0.06 -1.37 -0.12 0.00 0.00 0.00 0.00 61.98 60.54 1jpy s VAL 56 Cb -0.16 -3.90 -0.07 0.00 0.00 0.00 0.00 36.38 32.25 1jpy s VAL 56 CO 0.05 -0.63 0.82 0.42 0.00 0.00 0.00 175.10 175.76 1jpy s THR 57 N 1.51 4.71 -0.11 3.92 -4.23 -1.05 -4.95 115.64 115.44 1jpy s THR 57 Ca 0.04 0.80 -0.05 0.00 -1.18 0.00 0.00 61.69 61.30 1jpy s THR 57 Cb -0.25 -3.72 0.05 0.00 1.34 0.00 0.00 72.50 69.93 1jpy s THR 57 CO 0.03 -0.54 0.25 0.86 -0.54 0.00 0.00 174.62 174.68 1jpy s TRP 58 N -2.41 -0.36 -0.10 3.99 -0.00 -1.26 -2.18 118.94 116.61 1jpy s TRP 58 Ca 0.53 0.86 0.02 0.00 -0.00 0.00 0.00 56.10 57.51 1jpy s TRP 58 Cb -0.10 -0.01 0.01 0.00 -0.00 0.00 0.00 33.47 33.37 1jpy s TRP 58 CO 0.30 -0.29 -0.16 0.34 -0.00 0.00 0.00 176.95 177.14 1jpy s ASP 59 N 1.87 2.45 0.25 5.86 -1.08 -0.73 -5.01 116.67 120.27 1jpy s ASP 59 Ca -0.04 -0.43 -0.01 0.00 -0.52 0.00 0.00 52.55 51.55 1jpy s ASP 59 Cb -0.11 -1.10 0.29 0.00 -1.46 0.00 0.00 42.92 40.54 1jpy s ASP 59 CO -0.08 0.03 1.67 1.55 0.52 0.00 0.00 175.17 178.86 1jpy h PRO 60 N 7.31 0.62 -0.99 4.34 0.13 -1.97 -3.07 132.00 138.37 1jpy h PRO 60 Ca -0.30 -0.25 -0.21 0.00 -0.87 0.00 0.00 66.00 64.38 1jpy h PRO 60 Cb 1.18 -0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.16 1jpy h PRO 60 CO 0.49 0.81 0.26 0.09 -0.23 0.00 0.00 178.00 179.42 1jpy n ASN 61 N -4.11 3.30 -3.86 1.44 3.02 -1.26 -4.86 115.26 108.93 1jpy n ASN 61 Ca -0.00 -2.67 -0.12 0.00 -0.03 0.00 0.00 54.58 51.76 1jpy n ASN 61 Cb 0.43 -0.64 -0.13 0.00 -0.61 0.00 0.00 39.78 38.83 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 -1.43 0.12 -0.17 3.52 3.52 -1.16 -1.05 118.95 122.30 1jpy s ARG 62 Ca 0.24 0.01 0.01 0.00 -0.13 0.00 0.00 55.73 55.86 1jpy s ARG 62 Cb 0.20 0.05 0.02 0.00 -1.56 0.00 0.00 34.95 33.66 1jpy s ARG 62 CO 0.05 -0.02 -0.20 -0.47 -0.81 0.00 0.00 175.30 173.85 1jpy s TYR 63 N -0.17 2.75 0.63 5.12 5.04 0.14 -1.94 117.35 128.93 1jpy s TYR 63 Ca -0.02 -1.54 -0.15 0.00 -2.44 0.00 0.00 57.07 52.92 1jpy s TYR 63 Cb -0.02 -1.89 -0.02 0.00 0.35 0.00 0.00 41.96 40.38 1jpy s TYR 63 CO 0.00 -0.74 1.08 -1.25 -1.34 0.00 0.00 175.55 173.29 1jpy s PRO 64 N 1.15 3.07 0.04 4.97 0.04 -1.26 0.46 135.00 143.47 1jpy s PRO 64 Ca 0.01 1.25 -0.24 0.00 0.04 0.00 0.00 61.00 62.06 1jpy s PRO 64 Cb -0.14 -2.00 -0.17 0.00 0.04 0.00 0.00 34.50 32.24 1jpy s PRO 64 CO -0.09 -1.02 1.53 0.77 0.04 0.00 0.00 177.00 178.23 1jpy h SER 65 N 0.15 0.02 -3.78 6.66 0.02 -1.61 -3.42 113.55 111.58 1jpy h SER 65 Ca -0.46 -0.22 -0.63 0.00 -0.84 0.00 0.00 61.79 59.64 1jpy h SER 65 Cb 1.23 -0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.61 1jpy h SER 65 CO 0.56 0.23 -0.49 -1.61 -1.14 0.00 0.00 176.83 174.38 1jpy s GLU 66 N -5.33 4.00 -0.26 3.45 2.02 -1.26 -1.78 118.70 119.54 1jpy s GLU 66 Ca -0.14 -0.26 -0.02 0.00 0.02 0.00 0.00 54.97 54.57 1jpy s GLU 66 Cb 0.04 -3.62 0.03 0.00 0.10 0.00 0.00 34.13 30.68 1jpy s GLU 66 CO 0.67 -0.11 -0.05 0.08 0.02 0.00 0.00 175.26 175.87 1jpy s VAL 67 N 1.55 2.91 -0.03 2.63 1.01 -0.93 -5.00 120.40 122.56 1jpy s VAL 67 Ca 0.08 -1.06 -0.26 0.00 0.00 0.00 0.00 61.98 60.75 1jpy s VAL 67 Cb -0.15 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1jpy s VAL 67 CO 0.09 0.16 0.79 -0.69 0.00 0.00 0.00 175.10 175.45 1jpy s VAL 68 N 1.32 4.93 -0.12 2.92 1.01 -1.26 -2.53 120.40 126.67 1jpy s VAL 68 Ca -0.00 1.65 0.03 0.00 0.00 0.00 0.00 61.98 63.66 1jpy s VAL 68 Cb -0.17 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.08 1jpy s VAL 68 CO -0.04 0.25 -0.22 -1.10 0.00 0.00 0.00 175.10 173.99 1jpy s GLN 69 N 0.68 2.98 0.30 2.72 -1.52 0.10 -4.60 119.66 120.31 1jpy s GLN 69 Ca 0.42 -0.85 -0.05 0.00 -1.95 0.00 0.00 55.36 52.93 1jpy s GLN 69 Cb -0.19 -2.34 -0.05 0.00 -0.22 0.00 0.00 33.01 30.21 1jpy s GLN 69 CO 0.22 0.06 0.56 0.00 -0.25 0.00 0.00 175.29 175.88 1jpy s ALA 70 N 0.62 3.62 -0.12 6.09 0.00 0.59 0.52 121.76 133.08 1jpy s ALA 70 Ca -0.12 -0.57 -0.04 0.00 0.00 0.00 0.00 51.96 51.23 1jpy s ALA 70 Cb -0.17 -2.30 0.06 0.00 0.00 0.00 0.00 23.12 20.72 1jpy s ALA 70 CO 0.03 0.22 0.17 -1.14 0.00 0.00 0.00 175.76 175.04 1jpy s GLN 71 N -3.61 0.08 0.26 0.00 0.74 -0.27 -4.75 119.66 112.11 1jpy s GLN 71 Ca 0.44 0.43 -0.30 0.00 0.05 0.00 0.00 55.36 55.98 1jpy s GLN 71 Cb -0.11 -0.63 -0.14 0.00 1.10 0.00 0.00 33.01 33.23 1jpy s GLN 71 CO 0.30 -0.42 1.15 0.00 -0.55 0.00 0.00 175.29 175.77 1jpy h ARG 73 N 2.80 0.00 -4.70 0.00 2.43 -1.36 -3.44 114.38 110.10 1jpy h ARG 73 Ca -0.42 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.47 1jpy h ARG 73 Cb 1.32 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.72 1jpy h ARG 73 CO 0.66 0.49 -0.64 -0.80 -1.51 0.00 0.00 179.97 178.17 1jpy s ASN 74 N -6.20 0.81 0.00 -3.80 -0.87 -1.26 -5.06 114.94 98.55 1jpy s ASN 74 Ca 0.00 -1.28 -0.15 0.00 -1.57 0.00 0.00 52.86 49.86 1jpy s ASN 74 Cb 0.08 0.22 -0.34 0.00 -0.02 0.00 0.00 41.25 41.19 1jpy s ASN 74 CO 0.79 -0.70 0.89 0.25 -2.57 0.00 0.00 177.10 175.75 1jpy h LEU 75 N 2.63 0.77 0.00 0.60 5.85 -1.93 -3.40 115.31 119.83 1jpy h LEU 75 Ca -0.37 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 57.43 1jpy h LEU 75 Cb 1.22 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1jpy h LEU 75 CO 0.60 1.74 0.00 0.61 -0.34 0.00 0.00 178.44 181.04 1jpy n GLY 76 N 1.77 2.50 3.69 3.75 0.00 -1.26 -0.83 105.19 114.80 1jpy n GLY 76 Ca -0.20 -2.14 -0.25 0.00 0.00 0.00 0.00 46.02 43.43 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 -1.91 5.20 0.24 0.00 -4.36 0.18 -1.34 121.20 119.20 1jpy s ILE 78 Ca 0.29 0.63 0.01 0.00 -0.26 0.00 0.00 60.65 61.32 1jpy s ILE 78 Cb -0.09 -3.61 0.05 0.00 1.25 0.00 0.00 42.46 40.06 1jpy s ILE 78 CO 0.20 0.57 0.33 -0.46 0.24 0.00 0.00 174.94 175.81 1jpy n ASN 79 N 2.06 0.51 -0.15 4.36 0.23 -1.07 -4.66 115.26 116.55 1jpy n ASN 79 Ca -0.15 -1.41 -0.05 0.00 -0.53 0.00 0.00 54.58 52.44 1jpy n ASN 79 Cb 0.53 -0.20 0.02 0.00 -2.08 0.00 0.00 39.78 38.05 1jpy n ASN 79 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jpy h ALA 80 N -0.33 0.12 0.00 -2.53 0.00 -1.99 -1.07 119.26 113.47 1jpy h ALA 80 Ca -0.11 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1jpy h ALA 80 Cb 0.42 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1jpy h ALA 80 CO 0.12 -0.56 -0.02 1.96 0.00 0.00 0.00 179.25 180.75 1jpy h GLN 81 N -0.12 0.00 0.00 0.00 7.50 -2.04 -3.45 115.11 117.00 1jpy h GLN 81 Ca 0.22 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.37 1jpy h GLN 81 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.99 1jpy h GLN 81 CO -0.54 0.02 0.00 0.41 -1.50 0.00 0.00 178.83 177.22 1jpy n GLY 82 N -1.38 1.24 3.79 3.46 0.00 -0.41 -5.10 105.19 106.80 1jpy n GLY 82 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.13 3.52 -1.00 1.61 -0.14 -1.26 -4.83 119.74 117.51 1jpy s LYS 83 Ca 0.00 -0.22 -0.23 0.00 -1.36 0.00 0.00 55.97 54.16 1jpy s LYS 83 Cb 0.00 -3.15 -0.01 0.00 -1.68 0.00 0.00 37.83 32.99 1jpy s LYS 83 CO 0.00 0.64 1.77 -2.00 -0.76 0.00 0.00 175.35 175.00 1jpy s GLU 84 N -0.65 2.99 -0.46 1.68 2.12 -1.26 -2.59 118.70 120.53 1jpy s GLU 84 Ca 0.12 -0.78 -0.28 0.00 0.36 0.00 0.00 54.97 54.39 1jpy s GLU 84 Cb -0.12 -5.22 -0.00 0.00 0.26 0.00 0.00 34.13 29.06 1jpy s GLU 84 CO 0.02 -2.98 1.57 0.34 -0.54 0.00 0.00 175.26 173.67 1jpy s ASP 85 N 6.58 6.03 -0.11 -1.70 2.15 -0.45 -4.85 116.67 124.32 1jpy s ASP 85 Ca 0.61 0.73 0.05 0.00 0.43 0.00 0.00 52.55 54.37 1jpy s ASP 85 Cb -0.03 -2.54 0.31 0.00 -0.30 0.00 0.00 42.92 40.37 1jpy s ASP 85 CO -0.02 -1.70 1.08 2.30 -0.17 0.00 0.00 175.17 176.66 1jpy n ILE 86 N 7.12 1.27 0.56 4.11 -5.35 -1.26 -2.95 119.36 122.86 1jpy n ILE 86 Ca 0.17 -0.60 0.12 0.00 -0.27 0.00 0.00 62.75 62.17 1jpy n ILE 86 Cb 0.49 -0.49 0.15 0.00 -1.74 0.00 0.00 39.64 38.04 1jpy n ILE 86 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1jpy n SER 87 N 0.16 0.69 -4.44 7.28 3.41 -1.26 -4.82 113.62 114.63 1jpy n SER 87 Ca 0.14 0.07 -0.26 0.00 -0.26 0.00 0.00 58.87 58.56 1jpy n SER 87 Cb 0.70 0.26 -0.11 0.00 -0.26 0.00 0.00 64.21 64.80 1jpy n SER 87 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1jpy s MET 88 N -3.17 1.59 0.06 4.33 -1.94 -1.20 -4.73 119.30 114.24 1jpy s MET 88 Ca 0.06 -1.53 0.09 0.00 -1.71 0.00 0.00 55.69 52.60 1jpy s MET 88 Cb 0.13 -1.87 -0.03 0.00 2.01 0.00 0.00 34.83 35.08 1jpy s MET 88 CO 0.73 0.39 -0.26 -0.80 -0.01 0.00 0.00 175.02 175.08 1jpy s ASN 89 N -2.80 3.07 -0.40 3.03 0.02 -0.55 -3.64 114.94 113.68 1jpy s ASN 89 Ca 0.22 -0.62 -0.22 0.00 -1.02 0.00 0.00 52.86 51.23 1jpy s ASN 89 Cb -0.08 -0.26 0.01 0.00 0.02 0.00 0.00 41.25 40.95 1jpy s ASN 89 CO 0.11 0.22 0.70 -0.55 0.02 0.00 0.00 177.10 177.60 1jpy s SER 90 N -1.42 6.41 0.08 -1.22 0.15 -0.01 -0.69 113.70 117.00 1jpy s SER 90 Ca 0.11 -0.01 0.08 0.00 0.70 0.00 0.00 55.95 56.83 1jpy s SER 90 Cb -0.10 -2.35 -0.03 0.00 -1.71 0.00 0.00 66.02 61.83 1jpy s SER 90 CO 0.03 -0.75 -0.22 0.68 1.20 0.00 0.00 173.24 174.19 1jpy s VAL 91 N 2.95 1.76 0.46 4.45 -7.23 -0.75 -4.90 120.40 117.14 1jpy s VAL 91 Ca 0.26 -1.40 -0.20 0.00 -1.81 0.00 0.00 61.98 58.83 1jpy s VAL 91 Cb -0.14 -1.56 -0.10 0.00 0.56 0.00 0.00 36.38 35.15 1jpy s VAL 91 CO 0.18 0.09 0.98 -2.16 -0.31 0.00 0.00 175.10 173.88 1jpy s PRO 92 N -1.57 4.03 -0.19 4.82 0.04 -1.26 -1.28 135.00 139.59 1jpy s PRO 92 Ca 0.08 1.17 -0.03 0.00 0.04 0.00 0.00 61.00 62.26 1jpy s PRO 92 Cb -0.09 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.29 1jpy s PRO 92 CO 0.03 -0.21 -0.06 0.42 0.04 0.00 0.00 177.00 177.22 1jpy s ILE 93 N -2.19 3.35 -0.17 0.56 1.01 0.20 -4.87 121.20 119.08 1jpy s ILE 93 Ca 0.63 -0.52 -0.07 0.00 0.00 0.00 0.00 60.65 60.69 1jpy s ILE 93 Cb -0.12 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 1jpy s ILE 93 CO 0.18 0.46 0.06 -1.10 0.00 0.00 0.00 174.94 174.54 1jpy s GLN 94 N 1.06 3.89 -0.10 2.79 -0.21 -1.26 -1.40 119.66 124.43 1jpy s GLN 94 Ca 0.01 -0.34 0.03 0.00 0.02 0.00 0.00 55.36 55.08 1jpy s GLN 94 Cb -0.15 -3.18 0.01 0.00 1.00 0.00 0.00 33.01 30.69 1jpy s GLN 94 CO -0.01 0.32 -0.20 -1.14 -2.12 0.00 0.00 175.29 172.14 1jpy s GLN 95 N 0.23 2.67 -0.02 2.91 2.00 0.23 -4.97 119.66 122.71 1jpy s GLN 95 Ca 0.04 -0.74 -0.24 0.00 -2.00 0.00 0.00 55.36 52.42 1jpy s GLN 95 Cb -0.12 -2.10 -0.04 0.00 0.80 0.00 0.00 33.01 31.54 1jpy s GLN 95 CO 0.00 0.08 0.73 -2.00 -0.50 0.00 0.00 175.29 173.60 1jpy s GLU 96 N 0.58 4.45 0.26 1.67 2.12 -1.26 -0.10 118.70 126.43 1jpy s GLU 96 Ca -0.14 0.96 0.02 0.00 0.36 0.00 0.00 54.97 56.16 1jpy s GLU 96 Cb -0.17 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 1jpy s GLU 96 CO 0.04 0.17 0.22 -0.08 -0.54 0.00 0.00 175.26 175.07 1jpy s THR 97 N 0.41 0.00 -0.07 -1.70 -1.32 0.58 -4.95 115.64 108.59 1jpy s THR 97 Ca 0.38 -1.95 0.03 0.00 -1.21 0.00 0.00 61.69 58.95 1jpy s THR 97 Cb -0.19 -2.49 -0.02 0.00 -1.51 0.00 0.00 72.50 68.28 1jpy s THR 97 CO 0.20 0.00 -0.16 -0.76 -2.21 0.00 0.00 174.62 171.69 1jpy s LEU 98 N -3.24 2.62 0.06 9.08 1.02 -1.26 -0.71 118.68 126.25 1jpy s LEU 98 Ca 0.38 -0.28 0.02 0.00 0.02 0.00 0.00 54.13 54.28 1jpy s LEU 98 Cb 0.04 -1.54 -0.03 0.00 0.02 0.00 0.00 46.19 44.69 1jpy s LEU 98 CO 0.18 0.29 -0.08 0.68 0.02 0.00 0.00 176.35 177.44 1jpy s VAL 99 N -0.40 0.62 -0.19 -1.59 -7.23 0.52 -4.85 120.40 107.29 1jpy s VAL 99 Ca 0.04 -1.26 -0.12 0.00 -1.81 0.00 0.00 61.98 58.84 1jpy s VAL 99 Cb -0.12 -0.85 -0.05 0.00 0.56 0.00 0.00 36.38 35.92 1jpy s VAL 99 CO 0.02 -0.46 0.20 -0.69 -0.31 0.00 0.00 175.10 173.86 1jpy s VAL 100 N -1.79 5.36 -0.20 1.32 1.01 0.17 0.59 120.40 126.86 1jpy s VAL 100 Ca -0.05 0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 1jpy s VAL 100 Cb -0.07 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1jpy s VAL 100 CO -0.00 0.40 0.08 -0.60 0.00 0.00 0.00 175.10 174.98 1jpy s ARG 101 N 0.51 3.95 -0.00 2.72 3.52 0.19 0.27 118.95 130.11 1jpy s ARG 101 Ca 0.11 -0.35 -0.26 0.00 -0.13 0.00 0.00 55.73 55.10 1jpy s ARG 101 Cb -0.12 -3.28 -0.04 0.00 -1.56 0.00 0.00 34.95 29.95 1jpy s ARG 101 CO 0.01 0.18 0.82 0.50 -0.81 0.00 0.00 175.30 176.00 1jpy s ARG 102 N 0.65 4.51 0.26 5.12 3.52 -0.22 -1.00 118.95 131.78 1jpy s ARG 102 Ca 0.04 1.13 0.08 0.00 -0.13 0.00 0.00 55.73 56.85 1jpy s ARG 102 Cb -0.13 -3.42 -0.05 0.00 -1.56 0.00 0.00 34.95 29.78 1jpy s ARG 102 CO 0.01 0.10 -0.11 0.15 -0.81 0.00 0.00 175.30 174.64 1jpy s LYS 103 N 0.58 1.50 1.97 5.12 1.02 0.19 -4.91 119.74 125.20 1jpy s LYS 103 Ca 0.43 -1.72 0.00 0.00 0.02 0.00 0.00 55.97 54.70 1jpy s LYS 103 Cb -0.20 -1.25 0.00 0.00 -0.52 0.00 0.00 37.83 35.87 1jpy s LYS 103 CO 0.23 0.13 0.00 0.72 -0.92 0.00 0.00 175.35 175.51 1jpy n HIS 104 N -0.52 -0.77 -3.92 3.18 8.25 -1.26 -1.95 115.22 118.23 1jpy n HIS 104 Ca -0.06 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.31 1jpy n HIS 104 Cb 0.62 0.14 -0.07 0.00 1.12 0.00 0.00 29.99 31.80 1jpy n HIS 104 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1jpy s GLN 105 N 0.00 1.00 4.13 -0.41 0.00 -1.26 -4.78 119.66 118.34 1jpy s GLN 105 Ca 0.00 -1.09 0.00 0.00 -0.00 0.00 0.00 55.36 54.27 1jpy s GLN 105 Cb 0.00 0.35 0.00 0.00 0.00 0.00 0.00 33.01 33.36 1jpy s GLN 105 CO 0.00 -0.34 0.00 0.41 0.00 0.00 0.00 175.29 175.36 1jpy n GLY 106 N -0.14 3.26 0.21 2.60 0.00 -1.26 -1.04 105.19 108.82 1jpy n GLY 106 Ca -0.11 0.25 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.95 0.30 -4.70 0.00 7.64 -0.20 -4.88 113.62 107.82 1jpy n SER 108 Ca -0.04 -1.32 -0.43 0.00 1.01 0.00 0.00 58.87 58.09 1jpy n SER 108 Cb 0.63 -0.15 -0.02 0.00 -1.01 0.00 0.00 64.21 63.66 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 -0.20 0.97 -4.23 0.44 3.14 -1.17 -4.24 118.33 113.04 1jpy n VAL 109 Ca 0.00 -0.24 -0.14 0.00 -2.96 0.00 0.00 64.34 61.00 1jpy n VAL 109 Cb 0.07 -1.69 -0.10 0.00 -1.06 0.00 0.00 33.84 31.07 1jpy n VAL 109 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1jpy s SER 110 N 0.39 1.69 -0.02 6.55 0.15 -0.82 -4.99 113.70 116.64 1jpy s SER 110 Ca 0.66 -0.96 0.03 0.00 0.70 0.00 0.00 55.95 56.39 1jpy s SER 110 Cb -0.58 -0.00 -0.00 0.00 -1.71 0.00 0.00 66.02 63.72 1jpy s SER 110 CO 0.49 -0.32 -0.11 -0.36 1.20 0.00 0.00 173.24 174.14 1jpy s PHE 111 N -3.10 1.11 -0.02 3.44 0.40 -1.26 -0.63 117.98 117.92 1jpy s PHE 111 Ca 0.14 -0.26 0.03 0.00 -0.60 0.00 0.00 56.93 56.23 1jpy s PHE 111 Cb 0.01 -0.75 -0.00 0.00 0.51 0.00 0.00 43.02 42.79 1jpy s PHE 111 CO 0.00 -0.08 -0.09 -1.14 0.70 0.00 0.00 175.22 174.62 1jpy s GLN 112 N -0.02 0.86 0.29 0.44 0.74 -0.17 -4.97 119.66 116.82 1jpy s GLN 112 Ca -0.00 -0.31 -0.28 0.00 0.05 0.00 0.00 55.36 54.82 1jpy s GLN 112 Cb -0.07 -0.82 -0.09 0.00 1.10 0.00 0.00 33.01 33.12 1jpy s GLN 112 CO 0.00 0.15 0.94 -0.51 -0.55 0.00 0.00 175.29 175.32 1jpy s LEU 113 N 0.03 4.47 -0.04 3.68 1.43 -1.26 0.53 118.68 127.52 1jpy s LEU 113 Ca -0.00 1.88 0.01 0.00 -1.03 0.00 0.00 54.13 54.99 1jpy s LEU 113 Cb -0.06 -3.84 0.02 0.00 0.03 0.00 0.00 46.19 42.34 1jpy s LEU 113 CO 0.00 0.03 -0.03 -0.70 0.23 0.00 0.00 176.35 175.88 1jpy s GLU 114 N -1.67 0.70 -0.27 1.70 2.12 0.20 -4.87 118.70 116.62 1jpy s GLU 114 Ca 0.46 -0.05 -0.24 0.00 0.36 0.00 0.00 54.97 55.51 1jpy s GLU 114 Cb -0.22 -0.78 -0.00 0.00 0.26 0.00 0.00 34.13 33.39 1jpy s GLU 114 CO 0.27 -0.11 0.79 0.21 -0.54 0.00 0.00 175.26 175.88 1jpy s LYS 115 N 1.04 4.09 -0.01 4.30 2.20 -1.26 -0.35 119.74 129.75 1jpy s LYS 115 Ca -0.09 0.77 0.06 0.00 -0.36 0.00 0.00 55.97 56.35 1jpy s LYS 115 Cb -0.14 -3.68 -0.01 0.00 -1.51 0.00 0.00 37.83 32.49 1jpy s LYS 115 CO -0.01 -0.57 -0.19 0.54 -0.36 0.00 0.00 175.35 174.76 1jpy s VAL 116 N 2.86 1.48 -0.30 4.02 0.11 0.11 -4.96 120.40 123.72 1jpy s VAL 116 Ca 0.33 -0.80 -0.18 0.00 -2.93 0.00 0.00 61.98 58.41 1jpy s VAL 116 Cb -0.15 -1.23 -0.02 0.00 -1.53 0.00 0.00 36.38 33.45 1jpy s VAL 116 CO 0.09 0.42 0.50 -0.76 -3.33 0.00 0.00 175.10 172.02 1jpy s LEU 117 N -0.43 4.16 -0.20 2.54 1.43 -1.26 -0.31 118.68 124.61 1jpy s LEU 117 Ca 0.07 0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 53.36 1jpy s LEU 117 Cb -0.07 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 1jpy s LEU 117 CO -0.01 -0.35 0.08 -0.69 0.23 0.00 0.00 176.35 175.62 1jpy s VAL 118 N 2.32 4.89 -0.56 -1.59 1.01 0.86 -4.94 120.40 122.39 1jpy s VAL 118 Ca 0.19 0.01 -0.23 0.00 0.00 0.00 0.00 61.98 61.95 1jpy s VAL 118 Cb -0.16 -3.23 0.05 0.00 0.00 0.00 0.00 36.38 33.05 1jpy s VAL 118 CO 0.11 0.43 0.91 -0.89 0.00 0.00 0.00 175.10 175.66 1jpy s THR 119 N 0.57 4.44 0.21 3.92 2.01 -1.26 -0.60 115.64 124.93 1jpy s THR 119 Ca 0.04 0.09 0.12 0.00 0.31 0.00 0.00 61.69 62.25 1jpy s THR 119 Cb -0.13 -4.53 -0.03 0.00 0.01 0.00 0.00 72.50 67.83 1jpy s THR 119 CO 0.01 -1.13 1.57 0.58 -0.69 0.00 0.00 174.62 174.96 1jpy h VAL 120 N 5.99 1.37 0.00 3.82 2.07 -1.56 0.17 116.25 128.11 1jpy h VAL 120 Ca -0.27 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.02 1jpy h VAL 120 Cb 1.08 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1jpy h VAL 120 CO 1.09 0.62 0.00 0.61 0.02 0.00 0.00 177.57 179.91 1jpy n GLY 121 N 0.47 -1.53 3.27 2.17 0.00 -1.25 -4.81 105.19 103.51 1jpy n GLY 121 Ca -0.01 -1.14 -0.23 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.29 1.77 -0.18 0.00 -1.32 -0.40 -4.75 115.64 109.46 1jpy s THR 123 Ca 0.06 -1.91 -0.01 0.00 -1.21 0.00 0.00 61.69 58.62 1jpy s THR 123 Cb -0.09 -2.68 0.00 0.00 -1.51 0.00 0.00 72.50 68.22 1jpy s THR 123 CO 0.04 0.00 -0.13 0.00 -2.21 0.00 0.00 174.62 172.32 1jpy s VAL 125 N 1.15 3.16 0.31 0.00 -7.23 0.13 -4.94 120.40 112.99 1jpy s VAL 125 Ca 0.01 -1.56 -0.01 0.00 -1.81 0.00 0.00 61.98 58.62 1jpy s VAL 125 Cb -0.14 -3.05 -0.01 0.00 0.56 0.00 0.00 36.38 33.73 1jpy s VAL 125 CO -0.05 -0.16 0.38 0.42 -0.31 0.00 0.00 175.10 175.38 1jpy s THR 126 N -2.39 0.00 0.50 5.32 -4.23 -1.26 -1.48 115.64 112.11 1jpy s THR 126 Ca 0.40 -1.74 0.22 0.00 -1.18 0.00 0.00 61.69 59.39 1jpy s THR 126 Cb -0.03 -2.55 0.28 0.00 1.34 0.00 0.00 72.50 71.54 1jpy s THR 126 CO 0.24 0.00 2.13 -0.65 -0.54 0.00 0.00 174.62 175.80 1jpy h PRO 127 N 2.19 0.00 -6.44 3.99 0.11 -2.01 -3.44 132.00 126.40 1jpy h PRO 127 Ca -0.28 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.29 1jpy h PRO 127 Cb 1.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1jpy h PRO 127 CO 0.40 0.07 -0.02 0.08 -0.21 0.00 0.00 178.00 178.32 1jpy s VAL 128 N -4.64 4.77 -0.38 3.15 1.01 -1.26 -4.97 120.40 118.08 1jpy s VAL 128 Ca -0.04 0.94 -0.01 0.00 0.00 0.00 0.00 61.98 62.87 1jpy s VAL 128 Cb 0.15 -3.75 0.28 0.00 0.00 0.00 0.00 36.38 33.07 1jpy s VAL 128 CO 0.62 0.17 1.96 2.30 0.00 0.00 0.00 175.10 180.15 1jpy n ILE 129 N 0.59 2.88 0.84 2.22 -5.35 -1.26 -5.16 119.36 114.13 1jpy n ILE 129 Ca -0.03 -1.83 0.07 0.00 -0.27 0.00 0.00 62.75 60.69 1jpy n ILE 129 Cb 0.52 -1.22 0.40 0.00 -1.74 0.00 0.00 39.64 37.60 1jpy n ILE 129 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20