#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jpy h PHE 10 N 0.00 0.00 0.00 4.78 3.57 -2.11 -3.25 116.94 119.93 1jpy h PHE 10 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1jpy h PHE 10 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1jpy h PHE 10 CO 0.00 0.22 -1.62 1.19 -2.23 0.00 0.00 178.31 175.87 1jpy n PHE 11 N -3.70 0.00 -2.77 0.41 3.72 -1.26 -5.00 117.46 108.85 1jpy n PHE 11 Ca -0.01 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.06 1jpy n PHE 11 Cb 0.34 -0.32 -0.06 0.00 -0.94 0.00 0.00 39.48 38.50 1jpy n PHE 11 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 1jpy s GLN 12 N -3.24 4.11 0.67 -1.08 -2.07 -1.23 -4.98 119.66 111.84 1jpy s GLN 12 Ca -0.03 0.98 0.00 0.00 -1.82 0.00 0.00 55.36 54.49 1jpy s GLN 12 Cb 0.14 -2.22 0.10 0.00 -1.09 0.00 0.00 33.01 29.93 1jpy s GLN 12 CO 0.83 -0.06 0.92 0.15 -1.32 0.00 0.00 175.29 175.82 1jpy s LYS 13 N -3.39 1.95 0.36 9.60 1.02 -1.26 -4.94 119.74 123.08 1jpy s LYS 13 Ca 0.60 -1.04 -0.25 0.00 0.02 0.00 0.00 55.97 55.30 1jpy s LYS 13 Cb -0.09 -2.39 -0.10 0.00 -0.52 0.00 0.00 37.83 34.73 1jpy s LYS 13 CO 0.19 -1.22 0.98 -1.25 -0.92 0.00 0.00 175.35 173.13 1jpy s PRO 14 N -5.02 4.40 0.37 -1.68 0.04 -1.26 -4.91 135.00 126.94 1jpy s PRO 14 Ca 0.63 1.37 0.23 0.00 0.04 0.00 0.00 61.00 63.28 1jpy s PRO 14 Cb -0.07 -2.64 1.30 0.00 0.04 0.00 0.00 34.50 33.13 1jpy s PRO 14 CO 0.42 0.10 1.48 -1.91 0.04 0.00 0.00 177.00 177.13 1jpy n GLU 15 N 0.21 -0.05 -0.15 4.56 0.00 -1.26 -1.63 120.64 122.32 1jpy n GLU 15 Ca 0.04 1.26 -0.01 0.00 0.00 0.00 0.00 57.16 58.45 1jpy n GLU 15 Cb 0.50 -2.32 0.24 0.00 0.00 0.00 0.00 31.44 29.86 1jpy n GLU 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1jpy h SER 16 N 0.00 0.77 -3.72 4.31 0.87 -2.06 -3.46 113.55 110.26 1jpy h SER 16 Ca 0.81 -0.08 -0.56 0.00 -1.23 0.00 0.00 61.79 60.72 1jpy h SER 16 Cb 2.27 -0.20 0.15 0.00 -0.44 0.00 0.00 62.40 64.18 1jpy h SER 16 CO -0.64 0.66 0.38 0.00 -0.53 0.00 0.00 176.83 176.70 1jpy n PRO 18 N -0.85 1.59 0.00 0.00 -0.04 -1.26 -5.03 135.00 129.40 1jpy n PRO 18 Ca 0.11 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 1jpy n PRO 18 Cb 0.45 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 1jpy n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jpy n GLY 22 N 1.41 0.00 3.13 0.55 0.00 -1.26 -5.22 105.19 103.80 1jpy n GLY 22 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1jpy n GLY 22 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jpy s GLY 23 N 0.00 2.13 0.12 -0.02 0.00 -1.26 -5.08 107.32 103.22 1jpy s GLY 23 Ca 0.00 -2.72 0.04 0.00 0.00 0.00 0.00 44.72 42.04 1jpy s GLY 23 CO 0.00 1.06 0.10 -1.35 0.00 0.00 0.00 173.10 172.91 1jpy s SER 24 N 1.70 5.46 0.60 1.64 1.04 -1.26 -5.13 113.70 117.75 1jpy s SER 24 Ca 0.10 -0.09 0.05 0.00 0.48 0.00 0.00 55.95 56.49 1jpy s SER 24 Cb -0.23 -1.42 0.08 0.00 0.10 0.00 0.00 66.02 64.55 1jpy s SER 24 CO -0.04 0.12 0.82 -0.04 0.98 0.00 0.00 173.24 175.09 1jpy s MET 25 N -2.74 2.21 -0.25 4.02 1.00 -1.26 -5.09 119.30 117.19 1jpy s MET 25 Ca 0.30 -1.30 -0.15 0.00 0.00 0.00 0.00 55.69 54.53 1jpy s MET 25 Cb -0.11 -2.54 -0.04 0.00 0.00 0.00 0.00 34.83 32.14 1jpy s MET 25 CO 0.22 -0.94 0.39 0.21 0.00 0.00 0.00 175.02 174.90 1jpy s LYS 26 N -4.79 4.07 -0.24 2.03 2.20 -1.26 -5.06 119.74 116.69 1jpy s LYS 26 Ca 0.62 0.11 -0.06 0.00 -0.36 0.00 0.00 55.97 56.28 1jpy s LYS 26 Cb -0.07 -3.62 -0.02 0.00 -1.51 0.00 0.00 37.83 32.61 1jpy s LYS 26 CO 0.40 -0.22 0.03 -1.17 -0.36 0.00 0.00 175.35 174.03 1jpy s LEU 27 N 1.88 3.23 0.14 5.43 2.96 -1.26 -5.09 118.68 125.97 1jpy s LEU 27 Ca 0.17 -0.28 -0.26 0.00 -0.22 0.00 0.00 54.13 53.53 1jpy s LEU 27 Cb -0.15 -1.85 -0.07 0.00 0.50 0.00 0.00 46.19 44.61 1jpy s LEU 27 CO 0.09 -0.03 0.82 -1.81 -1.32 0.00 0.00 176.35 174.10 1jpy s ASP 28 N 1.56 7.40 0.56 3.68 1.01 -1.26 -5.02 116.67 124.60 1jpy s ASP 28 Ca 0.06 1.66 -0.21 0.00 0.71 0.00 0.00 52.55 54.77 1jpy s ASP 28 Cb -0.15 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 1jpy s ASP 28 CO 0.01 0.12 1.36 2.30 0.21 0.00 0.00 175.17 179.17 1jpy n ILE 29 N 2.04 4.00 0.00 0.77 -5.35 -1.26 -4.83 119.36 114.73 1jpy n ILE 29 Ca -0.03 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 1jpy n ILE 29 Cb 0.49 -1.66 0.00 0.00 -1.74 0.00 0.00 39.64 36.73 1jpy n ILE 29 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jpy n GLY 30 N 0.77 1.59 3.41 3.28 0.00 -1.26 -5.02 105.19 107.95 1jpy n GLY 30 Ca 0.11 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.77 3.83 0.32 -0.61 -1.09 -1.26 -5.08 121.20 116.54 1jpy s ILE 31 Ca 0.00 -0.35 -0.29 0.00 -2.23 0.00 0.00 60.65 57.78 1jpy s ILE 31 Cb 0.00 -2.74 -0.10 0.00 -1.58 0.00 0.00 42.46 38.03 1jpy s ILE 31 CO 0.00 0.42 1.35 -0.63 -1.23 0.00 0.00 174.94 174.84 1jpy s ILE 32 N 1.19 2.65 -1.21 2.92 1.01 -1.26 -2.78 121.20 123.72 1jpy s ILE 32 Ca 0.03 0.63 -0.03 0.00 0.00 0.00 0.00 60.65 61.28 1jpy s ILE 32 Cb -0.15 -3.40 0.02 0.00 0.01 0.00 0.00 42.46 38.95 1jpy s ILE 32 CO 0.01 0.14 0.22 0.59 0.00 0.00 0.00 174.94 175.90 1jpy n ASN 33 N 1.08 -4.17 0.02 3.58 3.02 -1.26 -4.85 115.26 112.67 1jpy n ASN 33 Ca 0.01 -0.05 0.13 0.00 -0.03 0.00 0.00 54.58 54.65 1jpy n ASN 33 Cb 0.41 -3.49 0.59 0.00 -0.61 0.00 0.00 39.78 36.68 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 -0.47 0.20 -0.01 3.52 4.81 -1.96 -2.82 114.58 117.85 1jpy h GLU 34 Ca -0.37 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1jpy h GLU 34 Cb 1.26 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1jpy h GLU 34 CO 0.44 0.13 -0.24 0.09 -0.73 0.00 0.00 179.01 178.70 1jpy n ASN 35 N -4.45 1.03 -4.69 1.04 4.13 -1.26 -4.90 115.26 106.16 1jpy n ASN 35 Ca 0.07 -0.91 -0.42 0.00 1.68 0.00 0.00 54.58 54.99 1jpy n ASN 35 Cb 0.38 0.12 -0.03 0.00 -1.54 0.00 0.00 39.78 38.71 1jpy n ASN 35 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1jpy n GLN 36 N -0.61 2.79 -4.54 3.52 7.27 -1.07 -4.99 117.38 119.75 1jpy n GLN 36 Ca 0.13 1.01 -0.26 0.00 0.07 0.00 0.00 57.00 57.95 1jpy n GLN 36 Cb 0.35 -2.91 -0.10 0.00 2.41 0.00 0.00 30.24 29.98 1jpy n GLN 36 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 1jpy s ARG 37 N 2.66 1.88 0.38 3.69 1.70 -1.26 -5.12 118.95 122.89 1jpy s ARG 37 Ca 0.82 -1.96 -0.24 0.00 -0.47 0.00 0.00 55.73 53.87 1jpy s ARG 37 Cb -0.48 -1.71 -0.09 0.00 -0.57 0.00 0.00 34.95 32.09 1jpy s ARG 37 CO 0.37 0.09 1.02 0.54 -1.08 0.00 0.00 175.30 176.24 1jpy s VAL 38 N -2.62 3.88 -0.17 4.99 0.11 -1.26 -5.05 120.40 120.27 1jpy s VAL 38 Ca 0.33 1.46 -0.02 0.00 -2.93 0.00 0.00 61.98 60.82 1jpy s VAL 38 Cb 0.04 -3.76 0.05 0.00 -1.53 0.00 0.00 36.38 31.18 1jpy s VAL 38 CO 0.17 0.03 0.02 -0.55 -3.33 0.00 0.00 175.10 171.44 1jpy s SER 39 N -1.60 2.71 0.20 3.54 0.15 -1.26 -5.14 113.70 112.30 1jpy s SER 39 Ca 0.56 -0.69 0.02 0.00 0.70 0.00 0.00 55.95 56.54 1jpy s SER 39 Cb -0.21 -0.63 -0.05 0.00 -1.71 0.00 0.00 66.02 63.43 1jpy s SER 39 CO 0.26 -0.27 0.01 -0.04 1.20 0.00 0.00 173.24 174.40 1jpy s MET 40 N 1.84 1.21 0.35 5.44 -1.94 -1.26 -5.13 119.30 119.80 1jpy s MET 40 Ca 0.00 -1.60 -0.28 0.00 -1.71 0.00 0.00 55.69 52.10 1jpy s MET 40 Cb -0.16 -0.35 -0.12 0.00 2.01 0.00 0.00 34.83 36.21 1jpy s MET 40 CO -0.07 -0.14 1.39 0.43 -0.01 0.00 0.00 175.02 176.61 1jpy n SER 41 N -0.31 3.22 -4.64 3.03 7.64 -1.26 -4.86 113.62 116.43 1jpy n SER 41 Ca -0.05 1.21 -0.47 0.00 1.01 0.00 0.00 58.87 60.56 1jpy n SER 41 Cb 0.64 -1.54 -0.04 0.00 -1.01 0.00 0.00 64.21 62.26 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 0.68 1.72 -2.08 1.43 1.74 -1.26 -1.61 116.66 117.29 1jpy n ARG 42 Ca 0.04 0.62 -0.16 0.00 -0.77 0.00 0.00 57.85 57.57 1jpy n ARG 42 Cb 0.37 -2.27 -0.03 0.00 -1.02 0.00 0.00 32.46 29.51 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 2.53 -4.63 0.10 0.55 3.02 -1.26 -4.82 115.26 110.75 1jpy n ASN 43 Ca 0.15 0.21 0.05 0.00 -0.03 0.00 0.00 54.58 54.95 1jpy n ASN 43 Cb 0.27 -3.99 0.25 0.00 -0.61 0.00 0.00 39.78 35.69 1jpy n ASN 43 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jpy n ILE 44 N -3.10 1.01 1.25 2.41 3.06 -0.63 0.43 119.36 123.80 1jpy n ILE 44 Ca -0.18 0.64 0.13 0.00 -2.50 0.00 0.00 62.75 60.84 1jpy n ILE 44 Cb 0.61 -1.64 0.31 0.00 0.54 0.00 0.00 39.64 39.46 1jpy n ILE 44 CO 0.00 0.00 0.00 -1.84 -2.50 0.00 0.00 176.55 172.21 1jpy n GLU 45 N -1.79 1.75 -0.01 9.51 0.00 -1.26 -3.75 120.64 125.08 1jpy n GLU 45 Ca -0.01 -1.24 -0.05 0.00 0.00 0.00 0.00 57.16 55.87 1jpy n GLU 45 Cb 0.20 -1.47 -0.02 0.00 0.00 0.00 0.00 31.44 30.15 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 0.46 0.67 0.00 -1.84 7.64 0.17 -1.07 113.62 119.64 1jpy n SER 46 Ca 0.16 0.10 0.01 0.00 1.01 0.00 0.00 58.87 60.15 1jpy n SER 46 Cb 0.45 -0.24 0.08 0.00 -1.01 0.00 0.00 64.21 63.48 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 -3.39 0.08 -2.51 1.43 1.74 -0.24 -4.66 116.66 109.11 1jpy n ARG 47 Ca -0.09 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.69 1jpy n ARG 47 Cb 0.44 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.38 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 -2.00 6.44 0.46 0.55 0.15 -1.25 -4.94 113.70 113.12 1jpy s SER 48 Ca 0.04 1.26 0.26 0.00 0.70 0.00 0.00 55.95 58.20 1jpy s SER 48 Cb 0.02 -2.38 0.97 0.00 -1.71 0.00 0.00 66.02 62.92 1jpy s SER 48 CO 0.03 -0.57 1.84 0.71 1.20 0.00 0.00 173.24 176.45 1jpy h THR 49 N 0.61 0.43 -2.16 6.45 1.35 -1.87 -3.26 112.91 114.46 1jpy h THR 49 Ca -0.46 -1.01 -0.59 0.00 -0.55 0.00 0.00 66.41 63.80 1jpy h THR 49 Cb 1.19 1.73 -0.41 0.00 -1.73 0.00 0.00 68.15 68.94 1jpy h THR 49 CO 0.62 0.17 -0.79 -1.54 -0.25 0.00 0.00 175.52 173.73 1jpy n SER 50 N -3.32 2.30 -4.63 5.36 3.41 -1.26 0.77 113.62 116.25 1jpy n SER 50 Ca 0.00 -3.13 -0.36 0.00 -0.26 0.00 0.00 58.87 55.13 1jpy n SER 50 Cb 0.41 -0.66 0.09 0.00 -0.26 0.00 0.00 64.21 63.79 1jpy n SER 50 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1jpy n PRO 51 N 1.15 0.56 -4.31 4.33 -0.04 -1.23 -4.39 135.00 131.06 1jpy n PRO 51 Ca 0.26 0.25 -0.16 0.00 -0.04 0.00 0.00 63.50 63.81 1jpy n PRO 51 Cb 0.45 -2.26 -0.10 0.00 -0.04 0.00 0.00 33.50 31.55 1jpy n PRO 51 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1jpy s TRP 52 N -1.79 1.51 0.24 0.54 -2.14 -0.23 -1.53 118.94 115.55 1jpy s TRP 52 Ca 0.74 -1.21 0.08 0.00 2.66 0.00 0.00 56.10 58.38 1jpy s TRP 52 Cb -0.35 -0.87 -0.04 0.00 -3.10 0.00 0.00 33.47 29.11 1jpy s TRP 52 CO 0.49 -0.37 0.06 -0.80 -2.66 0.00 0.00 176.95 173.67 1jpy s ASN 53 N -3.30 4.88 -0.16 -2.66 0.01 0.20 -4.70 114.94 109.20 1jpy s ASN 53 Ca 0.38 -0.48 0.01 0.00 -0.71 0.00 0.00 52.86 52.06 1jpy s ASN 53 Cb 0.08 -1.05 0.01 0.00 0.41 0.00 0.00 41.25 40.70 1jpy s ASN 53 CO 0.14 0.01 -0.19 -0.31 -1.51 0.00 0.00 177.10 175.23 1jpy s TYR 54 N -2.16 2.75 -0.18 2.20 2.02 -1.26 -0.52 117.35 120.20 1jpy s TYR 54 Ca 0.31 -1.40 -0.02 0.00 -0.37 0.00 0.00 57.07 55.60 1jpy s TYR 54 Cb -0.07 -1.89 -0.01 0.00 -0.40 0.00 0.00 41.96 39.59 1jpy s TYR 54 CO 0.21 -0.67 -0.09 0.99 -1.57 0.00 0.00 175.55 174.43 1jpy s THR 55 N 1.06 3.20 -0.09 -0.71 2.01 0.31 -4.95 115.64 116.46 1jpy s THR 55 Ca -0.01 -0.58 -0.18 0.00 0.31 0.00 0.00 61.69 61.24 1jpy s THR 55 Cb -0.14 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 1jpy s THR 55 CO -0.06 0.47 0.47 -0.69 -0.69 0.00 0.00 174.62 174.12 1jpy s VAL 56 N 0.96 5.15 0.03 3.82 1.01 -1.26 0.54 120.40 130.64 1jpy s VAL 56 Ca -0.01 0.95 0.08 0.00 0.00 0.00 0.00 61.98 63.00 1jpy s VAL 56 Cb -0.15 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1jpy s VAL 56 CO -0.00 0.37 -0.21 0.42 0.00 0.00 0.00 175.10 175.67 1jpy s THR 57 N 0.34 2.52 -0.03 3.92 -4.23 -0.89 -4.98 115.64 112.29 1jpy s THR 57 Ca 0.26 -1.20 0.03 0.00 -1.18 0.00 0.00 61.69 59.60 1jpy s THR 57 Cb -0.15 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.68 1jpy s THR 57 CO 0.11 0.40 -0.11 0.86 -0.54 0.00 0.00 174.62 175.33 1jpy s TRP 58 N -0.83 1.20 -0.04 3.99 -0.00 -1.26 -1.78 118.94 120.22 1jpy s TRP 58 Ca 0.13 -0.33 -0.02 0.00 -0.00 0.00 0.00 56.10 55.88 1jpy s TRP 58 Cb -0.10 -0.84 0.03 0.00 -0.00 0.00 0.00 33.47 32.55 1jpy s TRP 58 CO 0.03 -0.13 0.06 0.34 -0.00 0.00 0.00 176.95 177.24 1jpy s ASP 59 N 0.20 1.15 0.61 5.86 -1.08 -0.40 -5.01 116.67 118.00 1jpy s ASP 59 Ca -0.04 0.07 0.39 0.00 -0.52 0.00 0.00 52.55 52.45 1jpy s ASP 59 Cb -0.10 -0.15 1.97 0.00 -1.46 0.00 0.00 42.92 43.18 1jpy s ASP 59 CO 0.01 -0.25 2.21 1.55 0.52 0.00 0.00 175.17 179.22 1jpy h PRO 60 N 8.43 0.00 -0.46 4.34 0.13 -1.97 -2.93 132.00 139.53 1jpy h PRO 60 Ca -0.13 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.88 1jpy h PRO 60 Cb 1.12 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.18 1jpy h PRO 60 CO 0.16 0.01 0.09 0.09 -0.23 0.00 0.00 178.00 178.12 1jpy n ASN 61 N -3.17 3.93 -4.21 1.44 3.02 -1.26 -5.00 115.26 110.00 1jpy n ASN 61 Ca -0.02 -3.27 -0.16 0.00 -0.03 0.00 0.00 54.58 51.10 1jpy n ASN 61 Cb 0.16 -0.64 -0.11 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 -2.99 0.94 -0.15 3.52 3.52 -1.11 0.04 118.95 122.72 1jpy s ARG 62 Ca 0.48 -1.20 -0.01 0.00 -0.13 0.00 0.00 55.73 54.86 1jpy s ARG 62 Cb 0.39 -0.73 0.04 0.00 -1.56 0.00 0.00 34.95 33.09 1jpy s ARG 62 CO 0.09 0.13 -0.04 -0.47 -0.81 0.00 0.00 175.30 174.20 1jpy s TYR 63 N -2.29 1.44 1.01 5.12 6.14 0.57 -2.88 117.35 126.48 1jpy s TYR 63 Ca 0.07 -0.89 -0.13 0.00 0.64 0.00 0.00 57.07 56.76 1jpy s TYR 63 Cb -0.04 -1.19 0.19 0.00 0.42 0.00 0.00 41.96 41.34 1jpy s TYR 63 CO 0.02 -0.56 1.11 -1.25 0.64 0.00 0.00 175.55 175.50 1jpy s PRO 64 N 1.72 0.32 -0.02 4.97 0.04 -1.26 -0.55 135.00 140.22 1jpy s PRO 64 Ca 0.02 0.35 -0.23 0.00 0.04 0.00 0.00 61.00 61.18 1jpy s PRO 64 Cb -0.15 -1.74 -0.22 0.00 0.04 0.00 0.00 34.50 32.44 1jpy s PRO 64 CO -0.07 -2.77 1.11 0.77 0.04 0.00 0.00 177.00 176.08 1jpy h SER 65 N -1.92 0.32 -3.37 6.66 0.02 -1.78 -3.44 113.55 110.04 1jpy h SER 65 Ca -0.53 -0.71 -0.63 0.00 -0.84 0.00 0.00 61.79 59.08 1jpy h SER 65 Cb 1.33 -0.10 -0.21 0.00 0.14 0.00 0.00 62.40 63.57 1jpy h SER 65 CO 0.56 0.98 -0.63 -1.61 -1.14 0.00 0.00 176.83 174.98 1jpy s GLU 66 N -3.41 3.74 -0.17 3.45 2.02 -1.26 -1.28 118.70 121.80 1jpy s GLU 66 Ca -0.15 -0.47 0.01 0.00 0.02 0.00 0.00 54.97 54.38 1jpy s GLU 66 Cb 0.02 -3.07 0.03 0.00 0.10 0.00 0.00 34.13 31.21 1jpy s GLU 66 CO 0.76 0.15 -0.13 0.08 0.02 0.00 0.00 175.26 176.15 1jpy s VAL 67 N 0.64 1.60 -0.07 2.63 1.01 -0.73 -4.96 120.40 120.52 1jpy s VAL 67 Ca 0.00 -0.78 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 1jpy s VAL 67 Cb -0.14 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1jpy s VAL 67 CO 0.02 0.35 0.60 -0.69 0.00 0.00 0.00 175.10 175.38 1jpy s VAL 68 N 1.45 5.07 0.04 2.92 1.01 -1.26 -2.10 120.40 127.53 1jpy s VAL 68 Ca 0.03 1.23 0.04 0.00 0.00 0.00 0.00 61.98 63.28 1jpy s VAL 68 Cb -0.14 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1jpy s VAL 68 CO -0.10 0.31 -0.07 -1.10 0.00 0.00 0.00 175.10 174.15 1jpy s GLN 69 N 0.53 2.46 0.25 2.72 -1.52 0.19 -4.68 119.66 119.61 1jpy s GLN 69 Ca 0.32 -0.80 0.09 0.00 -1.95 0.00 0.00 55.36 53.02 1jpy s GLN 69 Cb -0.17 -2.46 -0.04 0.00 -0.22 0.00 0.00 33.01 30.11 1jpy s GLN 69 CO 0.15 0.57 -0.01 0.00 -0.25 0.00 0.00 175.29 175.76 1jpy s ALA 70 N -1.08 3.15 -0.12 6.09 0.00 0.40 0.11 121.76 130.32 1jpy s ALA 70 Ca 0.19 -1.62 -0.05 0.00 0.00 0.00 0.00 51.96 50.48 1jpy s ALA 70 Cb -0.11 -0.79 0.05 0.00 0.00 0.00 0.00 23.12 22.27 1jpy s ALA 70 CO 0.10 0.29 0.27 -1.14 0.00 0.00 0.00 175.76 175.28 1jpy s GLN 71 N -3.57 0.20 0.10 0.00 0.74 0.32 -4.73 119.66 112.71 1jpy s GLN 71 Ca 0.31 0.64 -0.32 0.00 0.05 0.00 0.00 55.36 56.03 1jpy s GLN 71 Cb -0.07 -0.07 -0.12 0.00 1.10 0.00 0.00 33.01 33.85 1jpy s GLN 71 CO 0.20 -0.21 1.78 0.00 -0.55 0.00 0.00 175.29 176.50 1jpy h ARG 73 N 7.98 0.00 -5.06 0.00 3.08 -1.60 -3.46 114.38 115.31 1jpy h ARG 73 Ca -0.46 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.23 1jpy h ARG 73 Cb 1.24 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.14 1jpy h ARG 73 CO 0.93 0.45 -0.68 -0.80 -1.07 0.00 0.00 179.97 178.81 1jpy s ASN 74 N -6.60 1.78 0.09 7.04 0.02 -1.26 -5.03 114.94 110.98 1jpy s ASN 74 Ca -0.01 -1.15 0.08 0.00 -1.02 0.00 0.00 52.86 50.77 1jpy s ASN 74 Cb 0.12 0.01 -0.21 0.00 0.02 0.00 0.00 41.25 41.19 1jpy s ASN 74 CO 0.71 -0.46 1.16 0.25 0.02 0.00 0.00 177.10 178.79 1jpy h LEU 75 N 2.58 0.00 0.00 0.60 5.85 -1.89 -3.41 115.31 119.05 1jpy h LEU 75 Ca -0.38 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1jpy h LEU 75 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1jpy h LEU 75 CO 0.64 0.98 0.00 0.61 -0.34 0.00 0.00 178.44 180.33 1jpy n GLY 76 N 1.39 5.16 2.39 3.75 0.00 -1.26 -2.18 105.19 114.43 1jpy n GLY 76 Ca -0.03 -2.10 -0.17 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.80 2.85 0.19 0.00 1.01 0.23 -1.19 121.20 122.49 1jpy s ILE 78 Ca 0.16 -2.06 0.01 0.00 0.00 0.00 0.00 60.65 58.76 1jpy s ILE 78 Cb -0.01 -2.46 0.01 0.00 0.01 0.00 0.00 42.46 40.00 1jpy s ILE 78 CO 0.10 -0.28 0.06 -0.46 0.00 0.00 0.00 174.94 174.37 1jpy n ASN 79 N -0.38 2.13 0.01 3.58 0.23 -1.10 -4.80 115.26 114.93 1jpy n ASN 79 Ca -0.08 -1.74 -0.12 0.00 -0.53 0.00 0.00 54.58 52.11 1jpy n ASN 79 Cb 0.58 0.07 -0.05 0.00 -2.08 0.00 0.00 39.78 38.30 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 0.94 -0.50 -1.01 -2.53 0.00 -2.01 -2.64 119.26 111.51 1jpy h ALA 80 Ca -0.14 -0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.02 1jpy h ALA 80 Cb 0.45 0.69 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 1jpy h ALA 80 CO 0.23 -0.87 0.66 1.96 0.00 0.00 0.00 179.25 181.22 1jpy h GLN 81 N -0.46 0.38 0.00 0.00 7.50 -2.05 -3.45 115.11 117.03 1jpy h GLN 81 Ca 0.08 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.21 1jpy h GLN 81 Cb 0.59 -0.09 0.00 0.00 0.05 0.00 0.00 27.48 28.04 1jpy h GLN 81 CO -0.36 0.25 0.00 0.41 -1.50 0.00 0.00 178.83 177.63 1jpy n GLY 82 N -1.49 1.93 3.36 3.46 0.00 -0.99 -5.12 105.19 106.33 1jpy n GLY 82 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.46 1.90 0.31 1.61 -0.14 -1.26 -4.93 119.74 116.75 1jpy s LYS 83 Ca 0.00 -1.06 -0.28 0.00 -1.36 0.00 0.00 55.97 53.27 1jpy s LYS 83 Cb 0.00 -2.02 -0.09 0.00 -1.68 0.00 0.00 37.83 34.03 1jpy s LYS 83 CO 0.00 0.53 1.13 -2.00 -0.76 0.00 0.00 175.35 174.24 1jpy s GLU 84 N -1.15 4.51 -0.31 1.68 2.12 -1.26 -2.72 118.70 121.57 1jpy s GLU 84 Ca 0.12 1.83 0.02 0.00 0.36 0.00 0.00 54.97 57.30 1jpy s GLU 84 Cb -0.10 -3.07 0.09 0.00 0.26 0.00 0.00 34.13 31.31 1jpy s GLU 84 CO 0.02 0.09 0.05 0.34 -0.54 0.00 0.00 175.26 175.22 1jpy s ASP 85 N -0.92 4.37 0.00 -1.70 -1.08 -0.33 -4.98 116.67 112.03 1jpy s ASP 85 Ca 0.47 -1.83 0.09 0.00 -0.52 0.00 0.00 52.55 50.77 1jpy s ASP 85 Cb -0.32 -1.28 0.56 0.00 -1.46 0.00 0.00 42.92 40.42 1jpy s ASP 85 CO 0.41 -0.37 1.08 2.30 0.52 0.00 0.00 175.17 179.11 1jpy n ILE 86 N 4.53 0.00 0.41 4.11 -5.35 -1.26 -2.31 119.36 119.49 1jpy n ILE 86 Ca -0.01 0.00 0.13 0.00 -0.27 0.00 0.00 62.75 62.61 1jpy n ILE 86 Cb 0.42 -0.41 0.47 0.00 -1.74 0.00 0.00 39.64 38.38 1jpy n ILE 86 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1jpy h SER 87 N 0.00 0.00 -3.69 7.28 4.64 -1.96 -3.43 113.55 116.38 1jpy h SER 87 Ca 0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 1jpy h SER 87 Cb 0.00 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 61.88 1jpy h SER 87 CO 0.00 0.00 -0.85 -0.04 -0.87 0.00 0.00 176.83 175.07 1jpy s MET 88 N -3.32 1.44 0.01 4.77 -1.94 -0.98 -4.43 119.30 114.86 1jpy s MET 88 Ca 0.06 -1.40 0.04 0.00 -1.71 0.00 0.00 55.69 52.68 1jpy s MET 88 Cb 0.09 -1.89 -0.03 0.00 2.01 0.00 0.00 34.83 35.01 1jpy s MET 88 CO 0.52 0.44 -0.10 -0.80 -0.01 0.00 0.00 175.02 175.07 1jpy s ASN 89 N -2.24 4.39 -0.40 3.03 0.02 -0.42 -3.39 114.94 115.93 1jpy s ASN 89 Ca 0.16 -0.21 -0.17 0.00 -1.02 0.00 0.00 52.86 51.62 1jpy s ASN 89 Cb -0.09 -0.95 0.01 0.00 0.02 0.00 0.00 41.25 40.24 1jpy s ASN 89 CO 0.07 0.28 0.41 -0.44 0.02 0.00 0.00 177.10 177.45 1jpy s SER 90 N -1.37 6.19 0.28 -1.22 0.01 -0.93 0.14 113.70 116.80 1jpy s SER 90 Ca 0.16 -0.60 0.11 0.00 1.31 0.00 0.00 55.95 56.94 1jpy s SER 90 Cb -0.11 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 63.86 1jpy s SER 90 CO 0.06 -0.52 -0.18 0.68 0.41 0.00 0.00 173.24 173.69 1jpy s VAL 91 N 2.08 2.39 0.25 3.43 -7.23 -0.55 -4.79 120.40 115.98 1jpy s VAL 91 Ca 0.12 -2.37 -0.12 0.00 -1.81 0.00 0.00 61.98 57.80 1jpy s VAL 91 Cb -0.17 -2.33 -0.08 0.00 0.56 0.00 0.00 36.38 34.36 1jpy s VAL 91 CO 0.13 -0.39 0.60 -2.16 -0.31 0.00 0.00 175.10 172.98 1jpy s PRO 92 N -3.53 3.88 -0.21 4.82 0.04 -1.26 -1.44 135.00 137.29 1jpy s PRO 92 Ca 0.30 0.41 -0.05 0.00 0.04 0.00 0.00 61.00 61.70 1jpy s PRO 92 Cb -0.04 -2.61 -0.02 0.00 0.04 0.00 0.00 34.50 31.87 1jpy s PRO 92 CO 0.15 0.29 -0.01 0.42 0.04 0.00 0.00 177.00 177.88 1jpy s ILE 93 N -1.83 3.82 -0.09 0.56 1.01 0.17 -4.88 121.20 119.95 1jpy s ILE 93 Ca 0.48 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.78 1jpy s ILE 93 Cb -0.11 -2.73 -0.02 0.00 0.01 0.00 0.00 42.46 39.60 1jpy s ILE 93 CO 0.20 0.42 -0.10 -1.10 0.00 0.00 0.00 174.94 174.36 1jpy s GLN 94 N 1.16 3.01 0.04 2.79 -0.21 -1.26 -1.67 119.66 123.53 1jpy s GLN 94 Ca 0.03 -0.62 0.09 0.00 0.02 0.00 0.00 55.36 54.88 1jpy s GLN 94 Cb -0.14 -2.60 -0.03 0.00 1.00 0.00 0.00 33.01 31.24 1jpy s GLN 94 CO 0.01 0.46 -0.26 -1.14 -2.12 0.00 0.00 175.29 172.24 1jpy s GLN 95 N -0.28 1.83 -0.32 2.91 2.00 -0.05 -4.96 119.66 120.78 1jpy s GLN 95 Ca 0.03 -1.09 -0.14 0.00 -2.00 0.00 0.00 55.36 52.16 1jpy s GLN 95 Cb -0.13 -1.98 -0.02 0.00 0.80 0.00 0.00 33.01 31.68 1jpy s GLN 95 CO 0.03 0.51 0.32 -2.00 -0.50 0.00 0.00 175.29 173.65 1jpy s GLU 96 N -1.17 3.70 0.38 1.67 2.12 -1.26 -0.18 118.70 123.96 1jpy s GLU 96 Ca 0.11 -0.35 0.07 0.00 0.36 0.00 0.00 54.97 55.16 1jpy s GLU 96 Cb -0.10 -3.75 -0.07 0.00 0.26 0.00 0.00 34.13 30.46 1jpy s GLU 96 CO 0.02 -0.41 -0.00 -0.08 -0.54 0.00 0.00 175.26 174.24 1jpy s THR 97 N 1.94 1.89 0.02 -1.70 -1.32 -0.48 -4.99 115.64 111.00 1jpy s THR 97 Ca 0.11 -2.04 0.06 0.00 -1.21 0.00 0.00 61.69 58.60 1jpy s THR 97 Cb -0.16 -2.88 -0.03 0.00 -1.51 0.00 0.00 72.50 67.92 1jpy s THR 97 CO 0.11 -0.05 -0.15 -0.76 -2.21 0.00 0.00 174.62 171.56 1jpy s LEU 98 N -3.64 2.76 0.02 9.08 1.02 -1.26 -1.20 118.68 125.45 1jpy s LEU 98 Ca 0.35 -0.32 -0.04 0.00 0.02 0.00 0.00 54.13 54.13 1jpy s LEU 98 Cb 0.08 -1.60 -0.01 0.00 0.02 0.00 0.00 46.19 44.68 1jpy s LEU 98 CO 0.17 0.28 0.06 0.54 0.02 0.00 0.00 176.35 177.41 1jpy s VAL 99 N -0.91 0.11 -0.17 -1.59 0.11 0.99 -4.93 120.40 114.02 1jpy s VAL 99 Ca 0.15 -0.94 -0.07 0.00 -2.93 0.00 0.00 61.98 58.19 1jpy s VAL 99 Cb -0.11 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 1jpy s VAL 99 CO 0.05 -0.52 0.06 -0.69 -3.33 0.00 0.00 175.10 170.67 1jpy s VAL 100 N -1.88 4.75 -0.16 2.04 1.01 0.29 0.10 120.40 126.55 1jpy s VAL 100 Ca -0.11 -0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.75 1jpy s VAL 100 Cb -0.06 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1jpy s VAL 100 CO -0.02 0.49 0.04 -0.60 0.00 0.00 0.00 175.10 175.02 1jpy s ARG 101 N 0.15 3.72 -0.17 2.72 3.52 0.69 -0.31 118.95 129.27 1jpy s ARG 101 Ca 0.04 -0.36 -0.18 0.00 -0.13 0.00 0.00 55.73 55.11 1jpy s ARG 101 Cb -0.12 -3.10 -0.04 0.00 -1.56 0.00 0.00 34.95 30.13 1jpy s ARG 101 CO 0.01 0.39 0.48 0.50 -0.81 0.00 0.00 175.30 175.87 1jpy s ARG 102 N 0.02 4.24 0.09 5.12 3.52 0.11 -1.20 118.95 130.85 1jpy s ARG 102 Ca 0.05 0.39 0.08 0.00 -0.13 0.00 0.00 55.73 56.12 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 0.01 -0.02 -0.17 0.15 -0.81 0.00 0.00 175.30 174.46 1jpy s LYS 103 N 1.22 1.92 3.42 5.12 1.02 0.76 -4.90 119.74 128.30 1jpy s LYS 103 Ca 0.24 -1.09 0.00 0.00 0.02 0.00 0.00 55.97 55.13 1jpy s LYS 103 Cb -0.15 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 1jpy s LYS 103 CO 0.09 0.50 0.00 0.72 -0.92 0.00 0.00 175.35 175.75 1jpy n HIS 104 N 1.05 -0.48 -3.87 3.18 8.25 -1.26 -0.81 115.22 121.28 1jpy n HIS 104 Ca -0.16 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.23 1jpy n HIS 104 Cb 0.52 0.14 -0.02 0.00 1.12 0.00 0.00 29.99 31.76 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 1.80 7.84 -0.41 0.00 -1.26 -4.78 119.66 122.85 1jpy s GLN 105 Ca 0.00 -1.04 0.00 0.00 -0.00 0.00 0.00 55.36 54.32 1jpy s GLN 105 Cb 0.00 0.60 0.00 0.00 0.00 0.00 0.00 33.01 33.61 1jpy s GLN 105 CO 0.00 -0.82 0.00 0.41 0.00 0.00 0.00 175.29 174.88 1jpy n GLY 106 N -0.46 3.29 0.06 2.60 0.00 -1.26 -2.28 105.19 107.14 1jpy n GLY 106 Ca -0.04 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.45 1.75 -4.72 0.00 3.41 -0.97 -4.90 113.62 105.75 1jpy n SER 108 Ca -0.02 -1.98 -0.42 0.00 -0.26 0.00 0.00 58.87 56.19 1jpy n SER 108 Cb 0.55 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 1jpy n SER 108 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jpy s VAL 109 N -1.57 2.37 0.31 -3.33 0.11 -1.17 -4.53 120.40 112.59 1jpy s VAL 109 Ca 0.23 0.27 0.03 0.00 -2.93 0.00 0.00 61.98 59.57 1jpy s VAL 109 Cb 0.12 -3.17 -0.04 0.00 -1.53 0.00 0.00 36.38 31.76 1jpy s VAL 109 CO 0.16 0.02 0.14 -0.94 -3.33 0.00 0.00 175.10 171.15 1jpy s SER 110 N 1.09 1.73 0.10 3.54 1.04 0.01 -4.96 113.70 116.25 1jpy s SER 110 Ca 0.71 -1.54 0.06 0.00 0.48 0.00 0.00 55.95 55.67 1jpy s SER 110 Cb -0.46 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 65.96 1jpy s SER 110 CO 0.33 -0.85 -0.16 -0.36 0.98 0.00 0.00 173.24 173.18 1jpy s PHE 111 N -3.55 1.43 -0.13 5.02 0.08 -1.26 -0.17 117.98 119.41 1jpy s PHE 111 Ca 0.34 -0.48 -0.07 0.00 0.12 0.00 0.00 56.93 56.84 1jpy s PHE 111 Cb 0.05 -0.78 0.05 0.00 -0.57 0.00 0.00 43.02 41.77 1jpy s PHE 111 CO 0.16 0.13 0.31 -1.14 -0.10 0.00 0.00 175.22 174.59 1jpy s GLN 112 N -2.08 0.29 0.42 0.44 0.74 -0.34 -4.97 119.66 114.17 1jpy s GLN 112 Ca 0.04 0.61 -0.24 0.00 0.05 0.00 0.00 55.36 55.82 1jpy s GLN 112 Cb -0.08 -0.05 -0.08 0.00 1.10 0.00 0.00 33.01 33.90 1jpy s GLN 112 CO 0.03 -0.14 1.12 -0.51 -0.55 0.00 0.00 175.29 175.24 1jpy s LEU 113 N 1.16 4.11 0.01 3.68 1.43 -1.26 -0.22 118.68 127.58 1jpy s LEU 113 Ca -0.08 2.21 0.03 0.00 -1.03 0.00 0.00 54.13 55.26 1jpy s LEU 113 Cb -0.09 -4.16 -0.01 0.00 0.03 0.00 0.00 46.19 41.96 1jpy s LEU 113 CO -0.09 -0.69 -0.10 -0.70 0.23 0.00 0.00 176.35 175.00 1jpy s GLU 114 N -2.52 0.80 -0.12 1.70 2.12 0.29 -4.87 118.70 116.10 1jpy s GLU 114 Ca 0.60 -0.47 -0.14 0.00 0.36 0.00 0.00 54.97 55.32 1jpy s GLU 114 Cb -0.26 -0.76 -0.05 0.00 0.26 0.00 0.00 34.13 33.32 1jpy s GLU 114 CO 0.33 0.20 0.32 0.21 -0.54 0.00 0.00 175.26 175.78 1jpy s LYS 115 N -0.53 4.10 -0.06 4.30 2.20 -1.26 -0.01 119.74 128.49 1jpy s LYS 115 Ca 0.02 0.17 -0.03 0.00 -0.36 0.00 0.00 55.97 55.78 1jpy s LYS 115 Cb -0.05 -3.36 0.04 0.00 -1.51 0.00 0.00 37.83 32.95 1jpy s LYS 115 CO 0.00 0.39 0.14 0.14 -0.36 0.00 0.00 175.35 175.65 1jpy s VAL 116 N -0.01 -0.05 -0.06 4.02 -7.23 -0.34 -4.98 120.40 111.75 1jpy s VAL 116 Ca 0.19 0.18 -0.27 0.00 -1.81 0.00 0.00 61.98 60.27 1jpy s VAL 116 Cb -0.14 -0.23 -0.03 0.00 0.56 0.00 0.00 36.38 36.55 1jpy s VAL 116 CO 0.06 0.07 0.85 -0.76 -0.31 0.00 0.00 175.10 175.02 1jpy s LEU 117 N 1.15 4.31 -0.06 1.32 1.43 -1.26 -1.38 118.68 124.19 1jpy s LEU 117 Ca -0.09 1.39 0.04 0.00 -1.03 0.00 0.00 54.13 54.44 1jpy s LEU 117 Cb -0.11 -3.32 -0.02 0.00 0.03 0.00 0.00 46.19 42.76 1jpy s LEU 117 CO -0.06 -0.23 -0.19 -0.69 0.23 0.00 0.00 176.35 175.41 1jpy s VAL 118 N 1.16 2.59 -0.55 -1.59 1.01 0.75 -4.96 120.40 118.81 1jpy s VAL 118 Ca 0.44 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 1jpy s VAL 118 Cb -0.19 -1.99 0.08 0.00 0.00 0.00 0.00 36.38 34.28 1jpy s VAL 118 CO 0.21 0.57 0.66 -0.89 0.00 0.00 0.00 175.10 175.65 1jpy s THR 119 N -0.35 4.86 0.20 3.92 2.01 -1.26 -0.87 115.64 124.15 1jpy s THR 119 Ca 0.03 -0.78 0.13 0.00 0.31 0.00 0.00 61.69 61.38 1jpy s THR 119 Cb -0.12 -4.39 0.01 0.00 0.01 0.00 0.00 72.50 68.01 1jpy s THR 119 CO 0.02 -0.96 1.61 0.58 -0.69 0.00 0.00 174.62 175.18 1jpy h VAL 120 N 5.89 1.26 0.00 3.82 2.07 -1.65 0.12 116.25 127.76 1jpy h VAL 120 Ca -0.29 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.18 1jpy h VAL 120 Cb 1.09 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1jpy h VAL 120 CO 1.03 0.56 0.00 0.61 0.02 0.00 0.00 177.57 179.79 1jpy n GLY 121 N 0.39 -1.84 3.34 2.17 0.00 -1.25 -4.82 105.19 103.18 1jpy n GLY 121 Ca -0.01 -1.19 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.57 2.00 -0.15 0.00 -1.32 -0.52 -4.76 115.64 109.31 1jpy s THR 123 Ca 0.13 -2.08 -0.02 0.00 -1.21 0.00 0.00 61.69 58.51 1jpy s THR 123 Cb -0.08 -2.83 -0.02 0.00 -1.51 0.00 0.00 72.50 68.06 1jpy s THR 123 CO 0.06 -0.09 -0.07 0.00 -2.21 0.00 0.00 174.62 172.31 1jpy s VAL 125 N 0.42 1.19 -0.18 0.00 -7.23 0.12 -4.95 120.40 109.78 1jpy s VAL 125 Ca -0.06 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.10 1jpy s VAL 125 Cb -0.15 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.54 1jpy s VAL 125 CO 0.04 0.00 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.81 1jpy s THR 126 N -2.89 2.77 0.56 5.32 2.01 -1.26 -1.30 115.64 120.85 1jpy s THR 126 Ca 0.10 -0.71 -0.19 0.00 0.31 0.00 0.00 61.69 61.20 1jpy s THR 126 Cb 0.02 -2.20 -0.08 0.00 0.01 0.00 0.00 72.50 70.25 1jpy s THR 126 CO 0.05 0.49 0.63 -2.65 -0.69 0.00 0.00 174.62 172.46 1jpy n PRO 127 N 4.40 0.62 0.00 4.92 -0.02 -1.26 -4.98 135.00 138.68 1jpy n PRO 127 Ca -0.19 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1jpy n PRO 127 Cb 0.51 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 1jpy n PRO 127 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76