#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1i s PRO 5 N 0.00 2.98 -0.42 -0.14 0.04 -1.26 -5.07 135.00 131.12 1s1i s PRO 5 Ca 0.00 0.17 -0.24 0.00 0.04 0.00 0.00 61.00 60.98 1s1i s PRO 5 Cb 0.00 -2.20 0.02 0.00 0.04 0.00 0.00 34.50 32.36 1s1i s PRO 5 CO 0.00 -0.75 0.81 0.00 0.04 0.00 0.00 177.00 177.10 1s1i s ALA 6 N -3.08 3.32 0.00 8.56 0.00 -1.26 -4.71 121.76 124.59 1s1i s ALA 6 Ca 0.55 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1s1i s ALA 6 Cb -0.11 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1s1i s ALA 6 CO 0.47 -1.81 0.00 0.54 0.00 0.00 0.00 175.76 174.96 1s1i n ARG 7 N 6.71 0.00 -1.01 0.00 1.74 -1.26 -4.81 116.66 118.03 1s1i n ARG 7 Ca 0.03 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.87 1s1i n ARG 7 Cb 0.48 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.85 1s1i n ARG 7 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s1i n TYR 9 N 3.30 -1.96 -3.41 0.00 4.02 -1.26 -4.96 117.16 112.89 1s1i n TYR 9 Ca 0.55 0.35 -0.38 0.00 -0.01 0.00 0.00 57.90 58.40 1s1i n TYR 9 Cb 0.43 0.54 -0.04 0.00 -0.02 0.00 0.00 39.34 40.26 1s1i n TYR 9 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 1s1i n ARG 10 N -3.29 3.24 -3.70 -0.72 1.85 -1.18 -4.80 116.66 108.06 1s1i n ARG 10 Ca 0.00 -4.52 -0.12 0.00 -1.00 0.00 0.00 57.85 52.21 1s1i n ARG 10 Cb 0.01 -2.45 -0.12 0.00 -1.05 0.00 0.00 32.46 28.85 1s1i n ARG 10 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1s1i s TYR 11 N -1.82 -0.46 -0.50 2.89 2.02 -1.26 -4.68 117.35 113.54 1s1i s TYR 11 Ca 0.31 1.01 -0.28 0.00 -0.37 0.00 0.00 57.07 57.74 1s1i s TYR 11 Cb -0.02 0.09 0.03 0.00 -0.40 0.00 0.00 41.96 41.66 1s1i s TYR 11 CO -0.05 -0.32 1.12 -0.65 -1.57 0.00 0.00 175.55 174.08 1s1i s GLN 12 N 1.77 3.64 -0.29 -0.62 -0.21 -1.26 -4.68 119.66 118.00 1s1i s GLN 12 Ca -0.05 0.41 0.16 0.00 0.02 0.00 0.00 55.36 55.90 1s1i s GLN 12 Cb -0.11 -3.94 0.48 0.00 1.00 0.00 0.00 33.01 30.44 1s1i s GLN 12 CO -0.10 -1.44 1.10 1.63 -2.12 0.00 0.00 175.29 174.37 1s1i n LYS 13 N 7.88 2.27 -2.51 2.91 5.02 -1.26 -5.05 118.16 127.43 1s1i n LYS 13 Ca 0.10 -3.73 -0.06 0.00 -2.02 0.00 0.00 58.31 52.61 1s1i n LYS 13 Cb 0.49 -1.78 -0.01 0.00 -0.02 0.00 0.00 35.03 33.71 1s1i n LYS 13 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1s1i n ASN 14 N -0.52 -0.53 0.00 4.39 3.02 -1.26 -5.17 115.26 115.18 1s1i n ASN 14 Ca 0.20 -1.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.01 1s1i n ASN 14 Cb 0.83 0.99 0.00 0.00 -0.61 0.00 0.00 39.78 40.99 1s1i n ASN 14 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1s1i n LYS 15 N -0.23 0.26 0.00 3.52 4.81 -1.26 -5.13 118.16 120.13 1s1i n LYS 15 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1s1i n LYS 15 Cb 0.23 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.28 1s1i n LYS 15 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1s1i n PRO 16 N 0.00 -0.79 -1.90 1.64 -0.04 -1.26 -4.92 135.00 127.73 1s1i n PRO 16 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1s1i n PRO 16 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1s1i n PRO 16 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1s1i n TYR 17 N -2.25 -3.68 -1.57 0.54 4.11 -1.26 -4.93 117.16 108.13 1s1i n TYR 17 Ca 0.00 2.09 -0.46 0.00 -0.00 0.00 0.00 57.90 59.53 1s1i n TYR 17 Cb 0.00 -2.84 -0.02 0.00 -0.00 0.00 0.00 39.34 36.47 1s1i n TYR 17 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 1s1i n PRO 18 N 1.31 1.15 -3.16 -3.48 -0.04 -1.26 -3.56 135.00 125.96 1s1i n PRO 18 Ca 0.00 0.41 0.04 0.00 -0.04 0.00 0.00 63.50 63.91 1s1i n PRO 18 Cb 0.00 -1.76 -0.01 0.00 -0.04 0.00 0.00 33.50 31.68 1s1i n PRO 18 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1s1i s LYS 19 N -1.23 0.41 0.42 0.54 1.02 -1.26 -4.93 119.74 114.72 1s1i s LYS 19 Ca 0.62 0.74 0.21 0.00 0.02 0.00 0.00 55.97 57.56 1s1i s LYS 19 Cb -0.76 0.41 0.92 0.00 -0.52 0.00 0.00 37.83 37.88 1s1i s LYS 19 CO 0.58 -0.44 1.85 0.66 -0.92 0.00 0.00 175.35 177.08 1s1i h SER 20 N 7.99 0.00 0.25 2.83 4.64 -2.02 -0.23 113.55 127.01 1s1i h SER 20 Ca -0.19 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1s1i h SER 20 Cb 1.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1s1i h SER 20 CO 0.11 0.29 -0.19 0.03 -0.87 0.00 0.00 176.83 176.20 1s1i h ARG 21 N 0.00 -0.42 -0.34 4.77 2.47 -2.04 -2.94 114.38 115.88 1s1i h ARG 21 Ca -0.00 0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 58.68 1s1i h ARG 21 Cb 0.68 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.09 1s1i h ARG 21 CO 0.04 -0.28 -0.03 -0.92 0.56 0.00 0.00 179.97 179.33 1s1i h TYR 22 N -0.44 0.69 -3.65 3.04 3.20 -1.88 -3.44 116.97 114.49 1s1i h TYR 22 Ca -0.02 -0.13 -0.67 0.00 3.14 0.00 0.00 58.73 61.05 1s1i h TYR 22 Cb 0.39 -0.17 -0.17 0.00 1.54 0.00 0.00 36.73 38.31 1s1i h TYR 22 CO -0.11 0.76 -0.75 1.21 -1.64 0.00 0.00 178.16 177.62 1s1i s ASN 23 N -6.16 4.25 0.36 -2.11 3.84 -0.14 -5.09 114.94 109.89 1s1i s ASN 23 Ca -0.13 -0.40 0.05 0.00 0.21 0.00 0.00 52.86 52.59 1s1i s ASN 23 Cb 0.09 -0.78 -0.02 0.00 -0.55 0.00 0.00 41.25 39.99 1s1i s ASN 23 CO 0.78 0.20 0.18 -1.14 -2.79 0.00 0.00 177.10 174.33 1s1i n ARG 24 N 0.92 0.53 -2.31 0.43 0.63 -1.26 -4.51 116.66 111.10 1s1i n ARG 24 Ca -0.14 -3.22 -0.19 0.00 -0.92 0.00 0.00 57.85 53.38 1s1i n ARG 24 Cb 0.52 2.02 -0.01 0.00 0.45 0.00 0.00 32.46 35.44 1s1i n ARG 24 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1s1i n ALA 25 N -1.07 -0.54 -1.77 5.13 0.00 -1.26 -4.90 120.51 116.10 1s1i n ALA 25 Ca -0.14 0.16 -0.39 0.00 0.00 0.00 0.00 53.44 53.08 1s1i n ALA 25 Cb 0.58 -2.04 -0.04 0.00 0.00 0.00 0.00 19.45 17.95 1s1i n ALA 25 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1s1i s VAL 26 N -2.93 3.58 0.54 0.00 1.01 -1.26 -4.87 120.40 116.47 1s1i s VAL 26 Ca 0.00 1.41 -0.18 0.00 0.00 0.00 0.00 61.98 63.21 1s1i s VAL 26 Cb 0.00 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 1s1i s VAL 26 CO 0.00 0.20 1.04 -2.16 0.00 0.00 0.00 175.10 174.19 1s1i s PRO 27 N -1.92 3.59 0.54 2.72 0.04 -1.26 -5.00 135.00 133.71 1s1i s PRO 27 Ca 0.51 1.26 -0.16 0.00 0.04 0.00 0.00 61.00 62.66 1s1i s PRO 27 Cb -0.28 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.13 1s1i s PRO 27 CO 0.35 -0.60 1.00 0.34 0.04 0.00 0.00 177.00 178.14 1s1i s ASP 28 N -2.42 6.43 0.47 6.66 -1.08 -1.26 -4.89 116.67 120.58 1s1i s ASP 28 Ca 0.65 1.58 -0.21 0.00 -0.52 0.00 0.00 52.55 54.06 1s1i s ASP 28 Cb -0.16 -2.51 -0.09 0.00 -1.46 0.00 0.00 42.92 38.71 1s1i s ASP 28 CO 0.28 -0.72 1.03 -0.44 0.52 0.00 0.00 175.17 175.84 1s1i s SER 29 N -3.20 6.44 -0.43 -0.34 0.01 -1.26 -4.92 113.70 110.00 1s1i s SER 29 Ca 0.59 1.91 0.04 0.00 1.31 0.00 0.00 55.95 59.80 1s1i s SER 29 Cb -0.11 -2.56 0.47 0.00 0.21 0.00 0.00 66.02 64.04 1s1i s SER 29 CO 0.36 -0.71 1.57 2.29 0.41 0.00 0.00 173.24 177.15 1s1i n LYS 30 N -0.85 2.87 -3.82 12.44 2.85 -1.26 -4.90 118.16 125.49 1s1i n LYS 30 Ca 0.09 -3.62 -0.36 0.00 -1.05 0.00 0.00 58.31 53.36 1s1i n LYS 30 Cb 0.52 -2.18 -0.13 0.00 -0.65 0.00 0.00 35.03 32.60 1s1i n LYS 30 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 1s1i s ILE 31 N -4.35 3.34 1.23 0.58 1.10 -1.26 -4.70 121.20 117.15 1s1i s ILE 31 Ca 0.55 -1.49 -0.16 0.00 -0.51 0.00 0.00 60.65 59.04 1s1i s ILE 31 Cb 0.45 -3.01 0.30 0.00 0.15 0.00 0.00 42.46 40.35 1s1i s ILE 31 CO 0.02 -0.30 1.01 -0.60 -2.11 0.00 0.00 174.94 172.96 1s1i s ARG 32 N 1.27 -1.46 0.27 3.50 3.52 -1.26 -4.80 118.95 120.00 1s1i s ARG 32 Ca -0.00 0.55 -0.26 0.00 -0.13 0.00 0.00 55.73 55.88 1s1i s ARG 32 Cb -0.21 -1.51 -0.16 0.00 -1.56 0.00 0.00 34.95 31.51 1s1i s ARG 32 CO -0.01 -4.00 0.40 0.44 -0.81 0.00 0.00 175.30 171.31 1s1i n ILE 33 N -5.07 1.57 -2.97 4.11 -0.00 -1.26 -4.87 119.36 110.86 1s1i n ILE 33 Ca 0.06 -0.50 -0.41 0.00 -0.00 0.00 0.00 62.75 61.90 1s1i n ILE 33 Cb 0.56 -0.04 0.00 0.00 -0.00 0.00 0.00 39.64 40.17 1s1i n ILE 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1s1i n TYR 34 N -0.33 2.44 -3.15 4.28 4.11 -1.26 -4.75 117.16 118.50 1s1i n TYR 34 Ca 0.16 -2.70 0.05 0.00 -0.00 0.00 0.00 57.90 55.40 1s1i n TYR 34 Cb 0.30 -1.18 -0.01 0.00 -0.00 0.00 0.00 39.34 38.45 1s1i n TYR 34 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1s1i s ASP 35 N -1.82 -0.66 0.27 9.48 1.01 -1.26 -4.57 116.67 119.12 1s1i s ASP 35 Ca 0.33 0.31 0.05 0.00 0.71 0.00 0.00 52.55 53.96 1s1i s ASP 35 Cb 0.09 1.51 -0.06 0.00 1.01 0.00 0.00 42.92 45.47 1s1i s ASP 35 CO 0.06 -0.12 -0.03 -0.22 0.21 0.00 0.00 175.17 175.06 1s1i s LEU 36 N 2.93 2.38 0.00 1.23 2.96 0.76 -4.91 118.68 124.04 1s1i s LEU 36 Ca 0.09 -1.21 0.00 0.00 -0.22 0.00 0.00 54.13 52.78 1s1i s LEU 36 Cb -0.09 -0.51 0.00 0.00 0.50 0.00 0.00 46.19 46.09 1s1i s LEU 36 CO -0.16 -0.41 0.00 0.61 -1.32 0.00 0.00 176.35 175.07 1s1i n GLY 37 N -0.54 -1.31 3.71 7.98 0.00 -1.26 0.84 105.19 114.61 1s1i n GLY 37 Ca -0.05 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 1s1i n GLY 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s1i s LYS 38 N 0.00 4.51 0.00 1.61 2.36 -1.01 -4.81 119.74 122.40 1s1i s LYS 38 Ca 0.00 1.56 0.00 0.00 -2.55 0.00 0.00 55.97 54.98 1s1i s LYS 38 Cb 0.00 -3.42 0.00 0.00 -1.05 0.00 0.00 37.83 33.36 1s1i s LYS 38 CO 0.00 -0.14 0.00 1.17 1.55 0.00 0.00 175.35 177.93 1s1i n LYS 39 N 3.93 0.00 0.00 4.03 0.00 -1.26 -4.34 118.16 120.52 1s1i n LYS 39 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.38 1s1i n LYS 39 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.52 1s1i n LYS 39 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1s1i n LYS 40 N 0.00 0.00 -1.66 1.64 0.00 -1.26 -4.55 118.16 112.33 1s1i n LYS 40 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 1s1i n LYS 40 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1s1i n LYS 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s1i n ALA 41 N 3.24 0.78 -2.13 0.58 0.00 -1.26 -4.79 120.51 116.92 1s1i n ALA 41 Ca 0.00 0.30 -0.43 0.00 0.00 0.00 0.00 53.44 53.31 1s1i n ALA 41 Cb 0.00 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 17.25 1s1i n ALA 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1s1i s THR 42 N -1.17 3.62 0.22 0.00 2.01 -1.26 -4.78 115.64 114.28 1s1i s THR 42 Ca 0.60 0.62 0.27 0.00 0.31 0.00 0.00 61.69 63.48 1s1i s THR 42 Cb -0.56 -3.87 0.27 0.00 0.01 0.00 0.00 72.50 68.35 1s1i s THR 42 CO 0.59 -0.57 1.92 1.62 -0.69 0.00 0.00 174.62 177.49 1s1i h VAL 43 N 6.69 0.47 -0.98 3.82 3.04 -1.86 -3.19 116.25 124.23 1s1i h VAL 43 Ca -0.31 -0.87 0.24 0.00 -1.01 0.00 0.00 66.70 64.75 1s1i h VAL 43 Cb 1.14 1.61 -0.08 0.00 -2.01 0.00 0.00 31.29 31.95 1s1i h VAL 43 CO 1.06 0.16 0.65 -0.78 -1.01 0.00 0.00 177.57 177.65 1s1i h ASP 44 N 0.00 0.41 -2.57 3.17 3.58 -1.89 -3.19 116.42 115.93 1s1i h ASP 44 Ca -0.00 0.06 -0.54 0.00 0.42 0.00 0.00 57.03 56.97 1s1i h ASP 44 Cb 0.59 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.59 1s1i h ASP 44 CO 0.02 0.12 1.21 -1.83 -2.88 0.00 0.00 179.24 175.88 1s1i s GLU 45 N -5.43 3.13 0.02 0.28 4.04 -1.21 -4.87 118.70 114.66 1s1i s GLU 45 Ca -0.08 0.71 -0.27 0.00 0.04 0.00 0.00 54.97 55.37 1s1i s GLU 45 Cb 0.24 -4.21 0.07 0.00 0.02 0.00 0.00 34.13 30.25 1s1i s GLU 45 CO 0.79 -2.13 0.63 -0.59 -1.84 0.00 0.00 175.26 172.12 1s1i s PHE 46 N 7.05 -0.58 0.60 4.83 -0.12 -1.21 -4.90 117.98 123.66 1s1i s PHE 46 Ca 0.62 0.79 -0.00 0.00 -0.05 0.00 0.00 56.93 58.29 1s1i s PHE 46 Cb -0.14 0.44 0.05 0.00 -0.63 0.00 0.00 43.02 42.74 1s1i s PHE 46 CO 0.26 -0.68 0.85 -1.25 -0.05 0.00 0.00 175.22 174.35 1s1i s PRO 47 N -2.11 2.35 0.24 1.99 0.04 -1.26 -4.89 135.00 131.36 1s1i s PRO 47 Ca -0.07 -0.75 0.00 0.00 0.04 0.00 0.00 61.00 60.22 1s1i s PRO 47 Cb -0.00 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1s1i s PRO 47 CO 0.02 -0.92 0.00 -0.11 0.04 0.00 0.00 177.00 176.03 1s1i n LEU 48 N -2.52 -0.82 0.00 -3.56 0.00 -1.26 -3.16 117.00 105.68 1s1i n LEU 48 Ca 0.09 1.20 0.00 0.00 0.00 0.00 0.00 56.01 57.30 1s1i n LEU 48 Cb 0.60 -0.71 0.00 0.00 0.00 0.00 0.00 43.42 43.31 1s1i n LEU 48 CO 0.46 -0.26 0.00 0.00 0.00 0.00 0.00 177.39 177.59 1s1i n VAL 50 N 0.00 0.00 0.00 0.00 3.14 -1.26 -4.26 118.33 115.95 1s1i n VAL 50 Ca 0.00 -1.14 0.00 0.00 -2.96 0.00 0.00 64.34 60.24 1s1i n VAL 50 Cb 0.00 0.01 0.00 0.00 -1.06 0.00 0.00 33.84 32.79 1s1i n VAL 50 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1s1i n HIS 51 N -0.86 0.00 -3.82 1.45 8.25 -1.25 -4.03 115.22 114.97 1s1i n HIS 51 Ca -0.06 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.12 1s1i n HIS 51 Cb 0.31 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.43 1s1i n HIS 51 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1s1i n LEU 52 N 0.00 -1.77 -4.38 2.41 -0.00 -1.21 -4.73 117.00 107.32 1s1i n LEU 52 Ca 0.00 -1.00 -0.33 0.00 -0.00 0.00 0.00 56.01 54.68 1s1i n LEU 52 Cb 0.00 -1.68 -0.14 0.00 -0.00 0.00 0.00 43.42 41.59 1s1i n LEU 52 CO 0.00 0.41 -0.46 0.68 -0.00 0.00 0.00 177.39 178.02 1s1i s VAL 53 N -3.08 2.92 0.03 1.47 -7.23 -0.71 0.01 120.40 113.80 1s1i s VAL 53 Ca 0.09 -0.73 -0.27 0.00 -1.81 0.00 0.00 61.98 59.26 1s1i s VAL 53 Cb -0.05 -2.19 -0.17 0.00 0.56 0.00 0.00 36.38 34.54 1s1i s VAL 53 CO 0.90 0.55 1.37 -1.28 -0.31 0.00 0.00 175.10 176.33 1s1i h SER 54 N 6.29 -0.42 -4.68 4.85 0.87 -1.63 0.28 113.55 119.12 1s1i h SER 54 Ca -0.31 -0.11 -0.32 0.00 -1.23 0.00 0.00 61.79 59.81 1s1i h SER 54 Cb 1.20 0.11 0.10 0.00 -0.44 0.00 0.00 62.40 63.36 1s1i h SER 54 CO 0.53 -0.12 -0.54 0.59 -0.53 0.00 0.00 176.83 176.76 1s1i n ASN 55 N -5.21 -5.51 -0.21 6.23 3.02 0.13 -3.58 115.26 110.13 1s1i n ASN 55 Ca -0.10 -0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 1s1i n ASN 55 Cb 0.27 -4.16 0.00 0.00 -0.61 0.00 0.00 39.78 35.27 1s1i n ASN 55 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1s1i n GLU 56 N -4.01 0.00 0.00 3.52 4.07 -0.96 -4.56 120.64 118.71 1s1i n GLU 56 Ca -0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 1s1i n GLU 56 Cb 0.56 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.94 1s1i n GLU 56 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1s1i n LEU 57 N 0.00 0.00 0.00 4.31 7.99 -1.26 -1.22 117.00 126.82 1s1i n LEU 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1s1i n LEU 57 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1s1i n LEU 57 CO 0.00 0.00 0.00 -1.84 -1.51 0.00 0.00 177.39 174.04 1s1i n GLU 58 N 0.00 0.00 -3.43 3.23 0.00 -1.25 -3.59 120.64 115.61 1s1i n GLU 58 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 56.96 1s1i n GLU 58 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 31.44 31.48 1s1i n GLU 58 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1s1i n GLN 59 N 0.00 -1.64 -2.43 3.44 7.27 -1.22 -4.37 117.38 118.43 1s1i n GLN 59 Ca 0.00 0.79 -0.40 0.00 0.07 0.00 0.00 57.00 57.46 1s1i n GLN 59 Cb 0.00 -4.93 -0.04 0.00 2.41 0.00 0.00 30.24 27.68 1s1i n GLN 59 CO 0.00 0.00 0.00 -0.48 0.07 0.00 0.00 177.06 176.65 1s1i s LEU 60 N -5.59 4.53 0.72 1.69 2.34 0.24 -4.35 118.68 118.26 1s1i s LEU 60 Ca 0.37 2.30 -0.11 0.00 0.06 0.00 0.00 54.13 56.75 1s1i s LEU 60 Cb -0.09 -3.63 0.03 0.00 -0.56 0.00 0.00 46.19 41.94 1s1i s LEU 60 CO 0.80 -0.20 1.09 -0.55 -1.06 0.00 0.00 176.35 176.43 1s1i s SER 61 N -0.71 5.25 0.52 1.48 0.15 -1.26 -0.12 113.70 119.00 1s1i s SER 61 Ca 0.46 1.00 0.29 0.00 0.70 0.00 0.00 55.95 58.40 1s1i s SER 61 Cb -0.33 -1.75 1.41 0.00 -1.71 0.00 0.00 66.02 63.65 1s1i s SER 61 CO 0.42 -1.44 2.04 -1.28 1.20 0.00 0.00 173.24 174.17 1s1i h SER 62 N -0.69 0.00 0.37 5.45 0.87 -1.61 0.30 113.55 118.24 1s1i h SER 62 Ca -0.45 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.02 1s1i h SER 62 Cb 1.27 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 1s1i h SER 62 CO 0.64 0.12 -0.41 1.05 -0.53 0.00 0.00 176.83 177.70 1s1i h GLU 63 N 0.00 0.05 -0.05 2.24 4.11 -1.92 -2.78 114.58 116.24 1s1i h GLU 63 Ca -0.00 -0.02 -0.25 0.00 0.07 0.00 0.00 59.36 59.16 1s1i h GLU 63 Cb 0.41 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.67 1s1i h GLU 63 CO 0.02 0.45 -0.94 0.00 0.07 0.00 0.00 179.01 178.60 1s1i h ALA 64 N 1.55 0.23 -3.51 1.06 0.00 -0.83 -3.39 119.26 114.37 1s1i h ALA 64 Ca 0.00 -0.67 -0.68 0.00 0.00 0.00 0.00 54.91 53.56 1s1i h ALA 64 Cb 0.74 0.02 -0.33 0.00 0.00 0.00 0.00 17.79 18.22 1s1i h ALA 64 CO 0.05 0.71 -0.70 -1.17 0.00 0.00 0.00 179.25 178.14 1s1i s LEU 65 N -8.15 3.93 0.00 0.00 2.96 0.02 -4.21 118.68 113.24 1s1i s LEU 65 Ca -0.09 -1.31 0.00 0.00 -0.22 0.00 0.00 54.13 52.51 1s1i s LEU 65 Cb 0.08 -1.71 0.00 0.00 0.50 0.00 0.00 46.19 45.06 1s1i s LEU 65 CO 0.91 -0.27 0.00 -1.84 -1.32 0.00 0.00 176.35 173.83 1s1i n GLU 66 N 4.61 0.00 -3.03 1.98 0.00 -1.24 -4.53 120.64 118.43 1s1i n GLU 66 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 57.16 56.89 1s1i n GLU 66 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.84 1s1i n GLU 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1s1i n ALA 67 N 0.00 0.26 0.00 -1.84 0.00 -1.26 -4.74 120.51 112.93 1s1i n ALA 67 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 53.44 51.44 1s1i n ALA 67 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1s1i n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s1i n ALA 68 N 2.72 0.00 0.00 0.00 0.00 -1.26 -4.82 120.51 117.15 1s1i n ALA 68 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1s1i n ALA 68 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1s1i n ALA 68 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1s1i n ARG 69 N 0.00 0.00 -0.19 0.00 -4.01 -1.26 -4.47 116.66 106.73 1s1i n ARG 69 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 1s1i n ARG 69 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 1s1i n ARG 69 CO 0.00 0.00 0.00 1.51 -3.04 0.00 0.00 177.63 176.10 1s1i n ILE 70 N -1.18 0.00 0.00 8.89 0.13 -1.26 -3.74 119.36 122.21 1s1i n ILE 70 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1s1i n ILE 70 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 1s1i n ILE 70 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1s1i h ALA 72 N 0.00 0.05 -0.23 0.00 0.00 -1.92 -2.81 119.26 114.35 1s1i h ALA 72 Ca 0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 1s1i h ALA 72 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1s1i h ALA 72 CO 0.00 -0.32 -0.48 -0.91 0.00 0.00 0.00 179.25 177.54 1s1i h ASN 73 N -0.17 0.68 -0.67 0.00 -0.26 -1.86 -3.00 115.58 110.30 1s1i h ASN 73 Ca 0.01 -0.34 0.07 0.00 -0.56 0.00 0.00 56.30 55.48 1s1i h ASN 73 Cb 0.25 -0.19 -0.06 0.00 -1.06 0.00 0.00 38.32 37.26 1s1i h ASN 73 CO 0.00 1.05 0.36 0.11 -1.06 0.00 0.00 177.43 177.89 1s1i h LYS 74 N 0.50 0.63 -2.31 0.81 1.79 -1.85 0.59 116.57 116.73 1s1i h LYS 74 Ca 0.03 -0.04 -0.80 0.00 -2.18 0.00 0.00 60.65 57.66 1s1i h LYS 74 Cb 1.02 -0.14 -0.25 0.00 -1.58 0.00 0.00 32.23 31.28 1s1i h LYS 74 CO 0.10 0.42 1.23 0.66 -1.08 0.00 0.00 179.45 180.78 1s1i n TYR 75 N -4.81 2.74 -0.49 -1.35 4.02 -1.07 -2.38 117.16 113.81 1s1i n TYR 75 Ca 0.09 -2.60 0.00 0.00 -0.01 0.00 0.00 57.90 55.38 1s1i n TYR 75 Cb 0.20 -1.29 0.00 0.00 -0.02 0.00 0.00 39.34 38.23 1s1i n TYR 75 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1s1i n MET 76 N 0.21 0.00 0.23 -0.72 2.81 0.20 -4.41 117.12 115.44 1s1i n MET 76 Ca 0.49 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 56.48 1s1i n MET 76 Cb 0.26 -0.06 0.55 0.00 -0.71 0.00 0.00 33.22 33.26 1s1i n MET 76 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1s1i h THR 77 N 0.19 0.65 -0.90 2.03 2.02 -1.02 -2.57 112.91 113.31 1s1i h THR 77 Ca 0.00 -0.93 0.15 0.00 0.77 0.00 0.00 66.41 66.39 1s1i h THR 77 Cb 0.09 1.60 -0.07 0.00 -1.74 0.00 0.00 68.15 68.03 1s1i h THR 77 CO 0.00 0.21 0.58 0.71 0.37 0.00 0.00 175.52 177.38 1s1i h THR 78 N 0.00 0.83 -0.03 3.16 1.35 -1.85 -2.06 112.91 114.30 1s1i h THR 78 Ca -0.00 -0.24 -0.70 0.00 -0.55 0.00 0.00 66.41 64.92 1s1i h THR 78 Cb 0.59 0.08 -0.02 0.00 -1.73 0.00 0.00 68.15 67.06 1s1i h THR 78 CO 0.03 0.13 3.37 0.55 -0.25 0.00 0.00 175.52 179.35 1s1i n VAL 79 N -4.57 3.79 -3.92 6.82 3.14 -0.97 -4.70 118.33 117.92 1s1i n VAL 79 Ca 0.18 -2.89 -0.35 0.00 -2.96 0.00 0.00 64.34 58.31 1s1i n VAL 79 Cb 0.48 -2.61 0.01 0.00 -1.06 0.00 0.00 33.84 30.66 1s1i n VAL 79 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1s1i n SER 80 N 5.15 -4.06 0.00 6.55 2.88 -0.80 -3.40 113.62 119.94 1s1i n SER 80 Ca 0.61 -1.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.06 1s1i n SER 80 Cb 0.33 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.32 1s1i n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s1i n GLY 81 N -1.84 1.32 2.51 0.46 0.00 -1.08 -1.95 105.19 104.63 1s1i n GLY 81 Ca -0.19 0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.94 1s1i n GLY 81 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1s1i n ARG 82 N 0.00 4.79 -3.06 1.61 3.00 -1.26 -4.72 116.66 117.02 1s1i n ARG 82 Ca 0.00 -3.73 -0.14 0.00 -0.00 0.00 0.00 57.85 53.98 1s1i n ARG 82 Cb 0.00 -2.59 -0.04 0.00 0.00 0.00 0.00 32.46 29.82 1s1i n ARG 82 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 1s1i s ASP 83 N -0.00 -0.13 0.00 6.15 -4.77 -0.82 -5.01 116.67 112.08 1s1i s ASP 83 Ca 0.51 -2.29 0.00 0.00 -3.30 0.00 0.00 52.55 47.47 1s1i s ASP 83 Cb 0.19 0.85 0.00 0.00 -1.09 0.00 0.00 42.92 42.87 1s1i s ASP 83 CO -0.10 -0.11 0.00 0.00 0.70 0.00 0.00 175.17 175.66 1s1i n ALA 84 N 2.97 0.00 -0.58 2.11 0.00 -1.26 -4.69 120.51 119.06 1s1i n ALA 84 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1s1i n ALA 84 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1s1i n ALA 84 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1s1i n PHE 85 N -1.46 0.00 -4.95 0.00 -1.74 -1.26 -4.19 117.46 103.87 1s1i n PHE 85 Ca 0.00 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.59 1s1i n PHE 85 Cb 0.00 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 40.85 1s1i n PHE 85 CO 0.00 0.00 0.00 -3.38 -0.56 0.00 0.00 176.76 172.82 1s1i s HIS 86 N -2.99 2.37 -0.04 2.97 -3.43 -1.26 -2.41 115.29 110.50 1s1i s HIS 86 Ca 0.00 -0.39 0.01 0.00 -0.80 0.00 0.00 55.06 53.88 1s1i s HIS 86 Cb 0.00 -1.43 -0.03 0.00 -1.43 0.00 0.00 32.58 29.69 1s1i s HIS 86 CO 0.00 0.12 -0.03 -1.17 -2.00 0.00 0.00 174.74 171.66 1s1i s LEU 87 N -1.14 3.37 0.07 5.38 1.98 0.25 -4.14 118.68 124.46 1s1i s LEU 87 Ca 0.12 0.01 0.07 0.00 -2.89 0.00 0.00 54.13 51.44 1s1i s LEU 87 Cb -0.10 -1.83 -0.03 0.00 0.66 0.00 0.00 46.19 44.89 1s1i s LEU 87 CO 0.02 0.33 -0.20 -0.60 -1.89 0.00 0.00 176.35 174.01 1s1i s ARG 88 N -1.13 1.19 0.20 1.98 6.06 0.77 -0.17 118.95 127.85 1s1i s ARG 88 Ca 0.15 -1.04 0.11 0.00 -2.50 0.00 0.00 55.73 52.46 1s1i s ARG 88 Cb -0.11 -1.36 -0.04 0.00 0.06 0.00 0.00 34.95 33.49 1s1i s ARG 88 CO 0.05 0.33 -0.23 0.14 -2.50 0.00 0.00 175.30 173.09 1s1i s VAL 89 N -1.01 2.42 0.00 7.11 -7.23 -1.26 -1.85 120.40 118.57 1s1i s VAL 89 Ca 0.06 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1s1i s VAL 89 Cb -0.09 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.67 1s1i s VAL 89 CO 0.03 -0.15 0.00 0.54 -0.31 0.00 0.00 175.10 175.21 1s1i n ARG 90 N 0.15 0.00 -1.48 4.82 5.12 -0.02 -4.91 116.66 120.35 1s1i n ARG 90 Ca -0.12 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.44 1s1i n ARG 90 Cb 0.56 0.00 0.08 0.00 -1.16 0.00 0.00 32.46 31.94 1s1i n ARG 90 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 1s1i n VAL 91 N 0.00 3.35 -4.05 1.55 3.14 -1.26 -5.03 118.33 116.03 1s1i n VAL 91 Ca 0.00 -0.43 -0.23 0.00 -2.96 0.00 0.00 64.34 60.73 1s1i n VAL 91 Cb 0.00 -1.15 -0.04 0.00 -1.06 0.00 0.00 33.84 31.59 1s1i n VAL 91 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 1s1i s HIS 92 N -1.68 3.26 -2.00 1.45 3.76 -1.26 -4.98 115.29 113.85 1s1i s HIS 92 Ca 0.75 -0.04 0.06 0.00 -0.15 0.00 0.00 55.06 55.68 1s1i s HIS 92 Cb -0.37 -1.50 0.33 0.00 1.11 0.00 0.00 32.58 32.15 1s1i s HIS 92 CO 0.48 0.50 0.84 -2.30 -0.85 0.00 0.00 174.74 173.40 1s1i n PRO 93 N -1.05 0.56 -1.61 8.40 -0.02 -1.26 -3.95 135.00 136.07 1s1i n PRO 93 Ca -0.08 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.02 1s1i n PRO 93 Cb 0.57 -1.15 0.05 0.00 -0.02 0.00 0.00 33.50 32.94 1s1i n PRO 93 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 1s1i n PHE 94 N -0.65 0.87 0.00 6.00 -1.74 -1.26 -2.65 117.46 118.02 1s1i n PHE 94 Ca 0.04 0.45 0.00 0.00 -0.56 0.00 0.00 57.45 57.38 1s1i n PHE 94 Cb 0.02 -2.15 0.00 0.00 1.52 0.00 0.00 39.48 38.87 1s1i n PHE 94 CO 0.00 0.00 0.00 1.58 -0.56 0.00 0.00 176.76 177.78 1s1i n HIS 95 N -1.51 0.00 -4.26 2.97 -0.00 -1.26 -4.10 115.22 107.06 1s1i n HIS 95 Ca 0.13 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.63 1s1i n HIS 95 Cb 0.46 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.33 1s1i n HIS 95 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1s1i s VAL 96 N -0.33 1.54 0.20 3.57 1.01 -1.23 -3.38 120.40 121.78 1s1i s VAL 96 Ca 0.00 -1.51 0.09 0.00 0.00 0.00 0.00 61.98 60.56 1s1i s VAL 96 Cb 0.00 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 1s1i s VAL 96 CO 0.00 -0.14 -0.18 -1.48 0.00 0.00 0.00 175.10 173.31 1s1i s LEU 97 N -1.93 2.51 0.15 3.92 0.05 -0.88 -4.64 118.68 117.85 1s1i s LEU 97 Ca 0.05 -0.95 0.07 0.00 0.05 0.00 0.00 54.13 53.35 1s1i s LEU 97 Cb -0.10 -0.86 -0.04 0.00 -2.05 0.00 0.00 46.19 43.15 1s1i s LEU 97 CO 0.04 -0.05 -0.16 0.00 -0.55 0.00 0.00 176.35 175.62 1s1i s ARG 98 N -3.21 1.16 0.08 1.48 3.03 -1.26 -2.43 118.95 117.81 1s1i s ARG 98 Ca 0.21 -1.34 0.02 0.00 2.03 0.00 0.00 55.73 56.65 1s1i s ARG 98 Cb -0.04 -1.14 -0.04 0.00 -1.03 0.00 0.00 34.95 32.70 1s1i s ARG 98 CO 0.09 0.22 -0.06 0.96 -1.13 0.00 0.00 175.30 175.38 1s1i s ILE 99 N -2.11 0.62 -0.40 4.99 -5.25 -0.76 -4.70 121.20 113.59 1s1i s ILE 99 Ca 0.13 -1.77 -0.33 0.00 -0.99 0.00 0.00 60.65 57.68 1s1i s ILE 99 Cb -0.05 -1.47 -0.15 0.00 2.95 0.00 0.00 42.46 43.74 1s1i s ILE 99 CO 0.05 -0.80 1.66 -3.20 -1.79 0.00 0.00 174.94 170.86 1s1i n ASN 100 N 0.24 0.56 -4.02 4.36 5.15 -1.26 -1.30 115.26 118.99 1s1i n ASN 100 Ca -0.14 0.51 -0.31 0.00 -0.60 0.00 0.00 54.58 54.03 1s1i n ASN 100 Cb 0.60 -0.69 -0.15 0.00 -0.53 0.00 0.00 39.78 39.00 1s1i n ASN 100 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1s1i s LYS 101 N 4.68 2.00 -0.93 1.20 2.36 -1.26 -4.79 119.74 123.00 1s1i s LYS 101 Ca 0.92 -1.19 -0.25 0.00 -2.55 0.00 0.00 55.97 52.91 1s1i s LYS 101 Cb -1.14 -2.75 -0.11 0.00 -1.05 0.00 0.00 37.83 32.78 1s1i s LYS 101 CO 0.50 -0.57 2.12 -1.64 1.55 0.00 0.00 175.35 177.31 1s1i s MET 102 N 1.23 2.04 0.00 4.03 -1.94 -1.26 -3.90 119.30 119.50 1s1i s MET 102 Ca -0.07 -0.17 0.00 0.00 -1.71 0.00 0.00 55.69 53.73 1s1i s MET 102 Cb -0.19 -4.99 0.00 0.00 2.01 0.00 0.00 34.83 31.66 1s1i s MET 102 CO -0.06 -4.11 0.00 1.28 -0.01 0.00 0.00 175.02 172.13 1s1i n LEU 103 N 16.37 0.00 0.00 -0.03 7.99 -1.25 -4.42 117.00 135.66 1s1i n LEU 103 Ca 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.43 1s1i n LEU 103 Cb 0.46 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.77 1s1i n LEU 103 CO 0.59 0.00 0.10 -1.54 -1.51 0.00 0.00 177.39 175.03 1s1i n SER 104 N -0.66 0.00 0.00 -1.43 3.41 -0.58 -3.30 113.62 111.06 1s1i n SER 104 Ca 0.00 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1s1i n SER 104 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1s1i n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s1i s ALA 106 N -2.00 -1.82 0.00 0.00 0.00 -0.66 -1.11 121.76 116.17 1s1i s ALA 106 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1s1i s ALA 106 Cb 0.00 0.48 0.00 0.00 0.00 0.00 0.00 23.12 23.60 1s1i s ALA 106 CO 0.00 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.27 1s1i n GLY 107 N -0.37 0.41 3.53 0.00 0.00 -1.26 -4.42 105.19 103.08 1s1i n GLY 107 Ca -0.07 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 1s1i n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1i s ALA 108 N -2.00 -0.18 1.12 4.61 0.00 -1.26 -4.80 121.76 119.25 1s1i s ALA 108 Ca 0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 51.96 51.68 1s1i s ALA 108 Cb 0.00 -3.23 0.26 0.00 0.00 0.00 0.00 23.12 20.15 1s1i s ALA 108 CO 0.00 -3.65 1.05 0.16 0.00 0.00 0.00 175.76 173.32 1s1i s ASP 109 N -2.70 1.41 -0.97 0.00 -4.77 -1.26 -2.46 116.67 105.91 1s1i s ASP 109 Ca 0.68 1.45 0.00 0.00 -3.30 0.00 0.00 52.55 51.38 1s1i s ASP 109 Cb -0.24 -2.20 0.00 0.00 -1.09 0.00 0.00 42.92 39.39 1s1i s ASP 109 CO 0.63 -3.93 0.00 -2.11 0.70 0.00 0.00 175.17 170.46 1s1i n ARG 110 N -4.73 -1.37 -3.97 2.11 -4.01 -1.26 -4.92 116.66 98.51 1s1i n ARG 110 Ca 0.04 0.78 -0.09 0.00 -1.04 0.00 0.00 57.85 57.53 1s1i n ARG 110 Cb 0.55 -4.99 -0.11 0.00 -3.04 0.00 0.00 32.46 24.88 1s1i n ARG 110 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 1s1i s LEU 111 N -2.07 2.13 0.00 2.89 1.02 -1.03 -4.85 118.68 116.77 1s1i s LEU 111 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 54.13 53.65 1s1i s LEU 111 Cb 0.00 0.22 0.00 0.00 0.02 0.00 0.00 46.19 46.43 1s1i s LEU 111 CO 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 176.35 176.02 1s1i n GLN 112 N 1.41 0.00 -4.36 1.70 1.13 -1.22 -4.48 117.38 111.56 1s1i n GLN 112 Ca -0.23 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.60 1s1i n GLN 112 Cb 0.56 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.83 1s1i n GLN 112 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1s1i s GLN 113 N 2.83 2.08 2.85 -1.09 -0.21 -0.27 -1.65 119.66 124.20 1s1i s GLN 113 Ca 0.00 -1.54 0.00 0.00 0.02 0.00 0.00 55.36 53.84 1s1i s GLN 113 Cb 0.00 -2.03 0.00 0.00 1.00 0.00 0.00 33.01 31.98 1s1i s GLN 113 CO 0.00 0.35 0.00 0.41 -2.12 0.00 0.00 175.29 173.93 1s1i n GLY 114 N -0.80 0.17 2.88 3.09 0.00 -0.81 -2.24 105.19 107.47 1s1i n GLY 114 Ca -0.06 -0.96 -0.21 0.00 0.00 0.00 0.00 46.02 44.80 1s1i n GLY 114 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s1i s MET 115 N 0.00 0.84 0.36 1.61 -1.94 1.00 -3.38 119.30 117.79 1s1i s MET 115 Ca 0.00 -0.09 0.00 0.00 -1.71 0.00 0.00 55.69 53.89 1s1i s MET 115 Cb 0.00 -0.89 0.00 0.00 2.01 0.00 0.00 34.83 35.95 1s1i s MET 115 CO 0.00 -0.11 0.00 -2.13 -0.01 0.00 0.00 175.02 172.77 1s1i n ARG 116 N 4.18 -1.93 0.00 2.03 0.00 0.24 -4.82 116.66 116.36 1s1i n ARG 116 Ca -0.23 1.58 0.00 0.00 -0.00 0.00 0.00 57.85 59.20 1s1i n ARG 116 Cb 0.51 -2.25 0.00 0.00 0.00 0.00 0.00 32.46 30.72 1s1i n ARG 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1s1i n GLY 117 N -3.35 0.24 3.64 5.14 0.00 -1.26 -3.24 105.19 106.36 1s1i n GLY 117 Ca -0.06 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 1s1i n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1i s ALA 118 N -1.58 3.35 0.80 4.61 0.00 -1.21 -4.32 121.76 123.40 1s1i s ALA 118 Ca 0.00 0.75 -0.12 0.00 0.00 0.00 0.00 51.96 52.59 1s1i s ALA 118 Cb 0.00 -3.85 0.07 0.00 0.00 0.00 0.00 23.12 19.35 1s1i s ALA 118 CO 0.00 -1.84 1.14 -1.58 0.00 0.00 0.00 175.76 173.48 1s1i s TRP 119 N 5.12 2.95 0.58 0.00 0.51 -1.26 -1.52 118.94 125.32 1s1i s TRP 119 Ca 0.77 0.90 -0.20 0.00 -2.12 0.00 0.00 56.10 55.45 1s1i s TRP 119 Cb -0.30 -3.31 -0.04 0.00 -0.81 0.00 0.00 33.47 29.00 1s1i s TRP 119 CO 0.31 -1.73 1.28 0.20 -0.51 0.00 0.00 176.95 176.50 1s1i s GLY 120 N -4.33 2.83 0.36 0.98 0.00 -1.26 -4.45 107.32 101.46 1s1i s GLY 120 Ca 0.61 1.18 -0.25 0.00 0.00 0.00 0.00 44.72 46.26 1s1i s GLY 120 CO 0.51 1.63 1.02 -1.59 0.00 0.00 0.00 173.10 174.67 1s1i s LYS 121 N -3.12 4.35 0.08 2.90 0.00 -0.42 -4.16 119.74 119.37 1s1i s LYS 121 Ca 0.75 1.48 -0.35 0.00 0.00 0.00 0.00 55.97 57.85 1s1i s LYS 121 Cb -0.36 -2.68 -0.14 0.00 0.00 0.00 0.00 37.83 34.65 1s1i s LYS 121 CO 0.40 0.03 1.60 -0.35 0.00 0.00 0.00 175.35 177.03 1s1i n PRO 122 N 0.24 1.93 -3.22 1.78 -0.04 -1.26 -1.83 135.00 132.60 1s1i n PRO 122 Ca 0.03 0.70 -0.05 0.00 -0.04 0.00 0.00 63.50 64.14 1s1i n PRO 122 Cb 0.49 -2.45 -0.03 0.00 -0.04 0.00 0.00 33.50 31.47 1s1i n PRO 122 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1s1i s HIS 123 N 1.53 -1.24 0.00 0.54 2.46 -1.02 -4.92 115.29 112.64 1s1i s HIS 123 Ca 0.83 -0.20 0.00 0.00 0.47 0.00 0.00 55.06 56.16 1s1i s HIS 123 Cb -0.75 0.08 0.00 0.00 -0.13 0.00 0.00 32.58 31.78 1s1i s HIS 123 CO 0.43 -1.12 0.00 0.41 -2.47 0.00 0.00 174.74 171.99 1s1i n GLY 124 N 4.19 1.27 3.01 1.59 0.00 -1.26 -4.69 105.19 109.31 1s1i n GLY 124 Ca 0.12 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.19 1s1i n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s1i s LEU 125 N -0.71 1.99 -0.09 0.99 1.02 -1.26 -2.07 118.68 118.55 1s1i s LEU 125 Ca 0.00 -0.34 -0.08 0.00 0.02 0.00 0.00 54.13 53.72 1s1i s LEU 125 Cb 0.00 0.27 0.02 0.00 0.02 0.00 0.00 46.19 46.51 1s1i s LEU 125 CO 0.00 -0.29 0.24 0.00 0.02 0.00 0.00 176.35 176.32 1s1i s ALA 126 N -1.26 -0.59 0.58 4.21 0.00 -1.09 -1.89 121.76 121.74 1s1i s ALA 126 Ca -0.14 0.66 -0.13 0.00 0.00 0.00 0.00 51.96 52.35 1s1i s ALA 126 Cb -0.08 -0.38 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 1s1i s ALA 126 CO -0.00 -0.12 1.01 0.00 0.00 0.00 0.00 175.76 176.65 1s1i s ALA 127 N 0.08 3.10 0.32 0.00 0.00 0.83 -4.34 121.76 121.75 1s1i s ALA 127 Ca -0.00 -0.02 0.10 0.00 0.00 0.00 0.00 51.96 52.04 1s1i s ALA 127 Cb -0.02 -3.08 -0.06 0.00 0.00 0.00 0.00 23.12 19.96 1s1i s ALA 127 CO 0.00 -0.54 -0.13 1.03 0.00 0.00 0.00 175.76 176.12 1s1i s ARG 128 N -4.82 1.77 0.25 0.00 0.52 -1.26 0.81 118.95 116.21 1s1i s ARG 128 Ca 0.56 -1.88 -0.04 0.00 -0.52 0.00 0.00 55.73 53.86 1s1i s ARG 128 Cb -0.11 -1.72 -0.02 0.00 0.52 0.00 0.00 34.95 33.62 1s1i s ARG 128 CO 0.47 0.20 0.29 0.14 0.02 0.00 0.00 175.30 176.43 1s1i s VAL 129 N -2.58 0.00 0.00 3.52 -7.23 -1.24 -4.71 120.40 108.16 1s1i s VAL 129 Ca 0.32 -1.78 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 1s1i s VAL 129 Cb -0.00 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.50 1s1i s VAL 129 CO 0.16 0.00 0.00 -0.67 -0.31 0.00 0.00 175.10 174.28 1s1i n ASP 130 N -0.61 0.51 -0.05 4.85 2.03 -1.25 -3.74 116.55 118.29 1s1i n ASP 130 Ca 0.01 -0.93 -0.10 0.00 0.52 0.00 0.00 54.79 54.30 1s1i n ASP 130 Cb 0.64 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.00 1s1i n ASP 130 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1s1i h ILE 131 N 0.24 1.11 -3.24 5.18 5.03 -1.44 -3.31 117.51 121.08 1s1i h ILE 131 Ca 0.00 -0.31 -0.56 0.00 -0.12 0.00 0.00 64.86 63.88 1s1i h ILE 131 Cb 0.00 0.94 -0.40 0.00 -3.03 0.00 0.00 36.82 34.33 1s1i h ILE 131 CO 0.00 0.11 -0.76 -0.83 -0.68 0.00 0.00 178.15 175.99 1s1i s GLY 132 N -2.57 0.93 0.09 5.37 0.00 -1.26 0.18 107.32 110.06 1s1i s GLY 132 Ca -0.13 -1.23 -0.02 0.00 0.00 0.00 0.00 44.72 43.34 1s1i s GLY 132 CO 0.70 1.48 0.04 1.20 0.00 0.00 0.00 173.10 176.52 1s1i s GLN 133 N 1.71 0.79 -0.34 2.90 -0.21 -1.26 -4.97 119.66 118.27 1s1i s GLN 133 Ca 0.04 -1.28 -0.13 0.00 0.02 0.00 0.00 55.36 54.00 1s1i s GLN 133 Cb -0.17 0.24 -0.02 0.00 1.00 0.00 0.00 33.01 34.06 1s1i s GLN 133 CO -0.17 -0.20 0.25 0.96 -2.12 0.00 0.00 175.29 174.02 1s1i s ILE 134 N -3.97 5.27 0.01 1.08 -0.00 -1.25 -2.04 121.20 120.30 1s1i s ILE 134 Ca 0.14 -0.18 -0.25 0.00 -0.00 0.00 0.00 60.65 60.36 1s1i s ILE 134 Cb 0.07 -3.73 -0.15 0.00 -0.00 0.00 0.00 42.46 38.66 1s1i s ILE 134 CO -0.05 -0.02 1.09 0.40 -0.00 0.00 0.00 174.94 176.36 1s1i h ILE 135 N 5.50 0.12 -1.84 8.37 5.03 -0.74 -3.42 117.51 130.52 1s1i h ILE 135 Ca -0.31 -0.37 0.08 0.00 -0.12 0.00 0.00 64.86 64.14 1s1i h ILE 135 Cb 1.16 0.17 -0.21 0.00 -3.03 0.00 0.00 36.82 34.91 1s1i h ILE 135 CO 0.64 0.02 -0.03 0.72 -0.68 0.00 0.00 178.15 178.82 1s1i s PHE 136 N -4.56 -1.17 0.36 1.37 -0.12 -1.26 -0.84 117.98 111.76 1s1i s PHE 136 Ca -0.14 2.09 0.04 0.00 -0.05 0.00 0.00 56.93 58.88 1s1i s PHE 136 Cb 0.02 0.70 -0.06 0.00 -0.63 0.00 0.00 43.02 43.05 1s1i s PHE 136 CO 0.43 -0.58 0.05 -1.54 -0.05 0.00 0.00 175.22 173.52 1s1i s SER 137 N 2.54 2.81 0.00 1.98 1.04 -0.77 -4.57 113.70 116.73 1s1i s SER 137 Ca -0.06 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 54.96 1s1i s SER 137 Cb -0.10 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1s1i s SER 137 CO -0.19 -0.60 0.00 0.52 0.98 0.00 0.00 173.24 173.96 1s1i n VAL 138 N -0.79 0.00 -3.96 5.02 0.31 -1.26 -0.16 118.33 117.49 1s1i n VAL 138 Ca -0.04 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.18 1s1i n VAL 138 Cb 0.67 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.58 1s1i n VAL 138 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s1i s ARG 139 N -3.52 2.05 0.03 5.55 3.03 -1.26 -4.85 118.95 119.97 1s1i s ARG 139 Ca 0.00 -1.59 0.00 0.00 2.03 0.00 0.00 55.73 56.17 1s1i s ARG 139 Cb 0.00 0.53 -0.00 0.00 -1.03 0.00 0.00 34.95 34.45 1s1i s ARG 139 CO 0.00 -0.91 0.02 2.41 -1.13 0.00 0.00 175.30 175.69 1s1i n THR 140 N -0.55 0.00 -0.63 4.99 -1.04 -1.26 -4.43 114.28 111.36 1s1i n THR 140 Ca -0.03 -0.18 -0.31 0.00 -2.04 0.00 0.00 64.05 61.49 1s1i n THR 140 Cb 0.61 0.08 0.19 0.00 -1.82 0.00 0.00 70.33 69.39 1s1i n THR 140 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1s1i n LYS 141 N -0.05 -1.07 -1.80 -2.82 0.00 -1.19 -4.16 118.16 107.07 1s1i n LYS 141 Ca 0.00 -0.26 -0.24 0.00 -0.00 0.00 0.00 58.31 57.81 1s1i n LYS 141 Cb 0.04 -2.22 -0.05 0.00 -0.00 0.00 0.00 35.03 32.80 1s1i n LYS 141 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1s1i s ASP 142 N -2.46 4.59 0.02 -5.58 2.15 -1.26 -4.72 116.67 109.41 1s1i s ASP 142 Ca 0.66 -0.05 -0.25 0.00 0.43 0.00 0.00 52.55 53.33 1s1i s ASP 142 Cb -0.23 -2.54 -0.17 0.00 -0.30 0.00 0.00 42.92 39.67 1s1i s ASP 142 CO 0.62 -3.15 1.36 0.77 -0.17 0.00 0.00 175.17 174.59 1s1i h SER 143 N 13.34 -0.22 -0.01 -0.34 4.64 -1.96 -3.46 113.55 125.53 1s1i h SER 143 Ca -0.03 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1s1i h SER 143 Cb 1.06 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1s1i h SER 143 CO 1.13 0.10 0.00 0.59 -0.87 0.00 0.00 176.83 177.78 1s1i n ASN 144 N -5.07 0.02 -0.16 4.97 3.02 -1.26 -4.98 115.26 111.79 1s1i n ASN 144 Ca -0.09 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.39 1s1i n ASN 144 Cb 0.22 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.41 1s1i n ASN 144 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1s1i h LYS 145 N 0.00 0.66 0.00 3.52 3.11 -2.00 -3.44 116.57 118.42 1s1i h LYS 145 Ca 0.00 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1s1i h LYS 145 Cb 0.00 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.09 1s1i h LYS 145 CO 0.00 0.49 0.00 -0.40 -2.81 0.00 0.00 179.45 176.73 1s1i n ASP 146 N -4.70 0.00 -0.29 4.20 5.75 -1.26 -5.00 116.55 115.25 1s1i n ASP 146 Ca 0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.76 1s1i n ASP 146 Cb 0.06 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.26 1s1i n ASP 146 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 1s1i h VAL 147 N 0.00 1.25 -0.22 2.12 3.04 -1.96 0.11 116.25 120.59 1s1i h VAL 147 Ca 0.00 -0.68 -0.05 0.00 -1.01 0.00 0.00 66.70 64.95 1s1i h VAL 147 Cb 0.00 0.18 -0.01 0.00 -2.01 0.00 0.00 31.29 29.45 1s1i h VAL 147 CO 0.00 0.30 -0.10 1.62 -1.01 0.00 0.00 177.57 178.37 1s1i h VAL 148 N 1.16 1.20 -0.31 1.51 3.04 -1.86 0.84 116.25 121.84 1s1i h VAL 148 Ca 0.28 -0.84 -0.09 0.00 -1.01 0.00 0.00 66.70 65.04 1s1i h VAL 148 Cb 0.09 1.14 -0.01 0.00 -2.01 0.00 0.00 31.29 30.50 1s1i h VAL 148 CO -0.04 0.27 -0.20 0.58 -1.01 0.00 0.00 177.57 177.17 1s1i h VAL 149 N 0.34 1.26 -0.61 1.51 2.07 -1.43 -1.36 116.25 118.03 1s1i h VAL 149 Ca 0.07 -1.21 -0.09 0.00 0.82 0.00 0.00 66.70 66.28 1s1i h VAL 149 Cb 0.39 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1s1i h VAL 149 CO 0.02 0.39 0.01 -0.33 0.02 0.00 0.00 177.57 177.68 1s1i h GLU 150 N 0.51 1.06 -7.19 1.57 4.39 0.79 -3.31 114.58 112.40 1s1i h GLU 150 Ca 0.08 -0.33 -0.53 0.00 0.34 0.00 0.00 59.36 58.92 1s1i h GLU 150 Cb 0.63 -0.10 0.15 0.00 -0.10 0.00 0.00 28.75 29.33 1s1i h GLU 150 CO 0.04 1.03 0.38 0.20 -1.16 0.00 0.00 179.01 179.50 1s1i s GLY 151 N -3.59 2.29 0.00 -3.84 0.00 0.26 -0.12 107.32 102.33 1s1i s GLY 151 Ca -0.12 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.44 1s1i s GLY 151 CO 0.85 1.24 0.00 1.04 0.00 0.00 0.00 173.10 176.23 1s1i n LEU 152 N -2.80 0.00 -0.07 0.66 4.32 -1.26 -4.65 117.00 113.21 1s1i n LEU 152 Ca 0.13 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.98 1s1i n LEU 152 Cb 0.50 -0.01 -0.06 0.00 -1.62 0.00 0.00 43.42 42.24 1s1i n LEU 152 CO 0.48 0.00 0.55 -0.09 -1.22 0.00 0.00 177.39 177.10 1s1i h ARG 153 N 1.12 0.55 -0.03 3.23 2.43 -0.60 0.21 114.38 121.29 1s1i h ARG 153 Ca 0.00 -0.31 -0.22 0.00 -0.81 0.00 0.00 59.98 58.64 1s1i h ARG 153 Cb 0.00 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1s1i h ARG 153 CO 0.00 0.91 -0.89 0.00 -1.51 0.00 0.00 179.97 178.49 1s1i h ARG 154 N 0.22 0.44 0.09 0.20 3.08 -1.82 -3.23 114.38 113.36 1s1i h ARG 154 Ca 0.02 -0.43 0.01 0.00 0.07 0.00 0.00 59.98 59.65 1s1i h ARG 154 Cb 0.84 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 1s1i h ARG 154 CO 0.06 1.09 -0.11 0.00 -1.07 0.00 0.00 179.97 179.94 1s1i h ALA 155 N 0.77 -0.19 -2.35 0.04 0.00 -1.83 -3.38 119.26 112.32 1s1i h ALA 155 Ca -0.07 -0.02 -0.51 0.00 0.00 0.00 0.00 54.91 54.31 1s1i h ALA 155 Cb 1.51 0.16 0.10 0.00 0.00 0.00 0.00 17.79 19.57 1s1i h ALA 155 CO 0.15 -0.63 0.35 0.50 0.00 0.00 0.00 179.25 179.63 1s1i s ARG 156 N -6.15 2.64 0.00 0.00 3.52 0.74 -3.04 118.95 116.67 1s1i s ARG 156 Ca -0.14 0.90 0.00 0.00 -0.13 0.00 0.00 55.73 56.36 1s1i s ARG 156 Cb 0.07 -1.96 0.00 0.00 -1.56 0.00 0.00 34.95 31.50 1s1i s ARG 156 CO 0.66 -1.29 0.00 0.98 -0.81 0.00 0.00 175.30 174.83 1s1i n TYR 157 N -3.25 0.00 -2.91 5.12 9.36 -1.26 -4.67 117.16 119.54 1s1i n TYR 157 Ca 0.08 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.16 1s1i n TYR 157 Cb 0.54 0.00 0.02 0.00 -0.63 0.00 0.00 39.34 39.27 1s1i n TYR 157 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1s1i n LYS 158 N -2.70 0.83 -3.66 2.98 4.81 -1.17 -5.08 118.16 114.17 1s1i n LYS 158 Ca 0.00 -2.35 -0.15 0.00 -0.87 0.00 0.00 58.31 54.94 1s1i n LYS 158 Cb 0.00 -1.35 -0.08 0.00 0.02 0.00 0.00 35.03 33.63 1s1i n LYS 158 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1s1i s PHE 159 N -0.23 -0.51 0.30 5.64 0.08 -1.26 -4.76 117.98 117.22 1s1i s PHE 159 Ca 0.32 1.07 0.25 0.00 0.12 0.00 0.00 56.93 58.69 1s1i s PHE 159 Cb 0.24 0.24 1.19 0.00 -0.57 0.00 0.00 43.02 44.12 1s1i s PHE 159 CO -0.16 -0.41 1.95 -1.35 -0.10 0.00 0.00 175.22 175.16 1s1i h PRO 160 N 4.25 0.00 -7.20 0.24 0.11 -1.97 -3.44 132.00 123.99 1s1i h PRO 160 Ca -0.28 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.36 1s1i h PRO 160 Cb 1.16 0.00 0.07 0.00 0.11 0.00 0.00 31.00 32.34 1s1i h PRO 160 CO 0.29 0.18 0.21 0.20 -0.21 0.00 0.00 178.00 178.67 1s1i s GLY 161 N -4.24 1.64 -0.42 -0.55 0.00 -1.26 -5.03 107.32 97.45 1s1i s GLY 161 Ca -0.01 -0.78 -0.15 0.00 0.00 0.00 0.00 44.72 43.77 1s1i s GLY 161 CO 0.61 -0.45 0.34 1.20 0.00 0.00 0.00 173.10 174.81 1s1i s GLN 162 N -5.11 2.99 -0.05 2.90 -0.21 -1.26 -4.75 119.66 114.18 1s1i s GLN 162 Ca 0.57 -1.03 -0.11 0.00 0.02 0.00 0.00 55.36 54.81 1s1i s GLN 162 Cb -0.11 -4.00 -0.05 0.00 1.00 0.00 0.00 33.01 29.85 1s1i s GLN 162 CO 0.45 -0.81 0.29 -1.14 -2.12 0.00 0.00 175.29 171.96 1s1i s GLN 163 N 1.76 3.70 -0.00 2.91 0.74 -1.23 -4.22 119.66 123.32 1s1i s GLN 163 Ca 0.06 0.17 -0.12 0.00 0.05 0.00 0.00 55.36 55.52 1s1i s GLN 163 Cb -0.19 -3.20 -0.05 0.00 1.10 0.00 0.00 33.01 30.66 1s1i s GLN 163 CO 0.10 0.73 0.34 0.21 -0.55 0.00 0.00 175.29 176.12 1s1i s LYS 164 N -1.08 3.77 0.16 1.67 2.47 1.00 -4.91 119.74 122.81 1s1i s LYS 164 Ca 0.20 0.22 -0.13 0.00 -1.56 0.00 0.00 55.97 54.70 1s1i s LYS 164 Cb -0.15 -3.16 0.04 0.00 -1.46 0.00 0.00 37.83 33.11 1s1i s LYS 164 CO 0.09 0.68 1.69 0.97 0.16 0.00 0.00 175.35 178.94 1s1i h ILE 165 N 3.52 1.23 -4.11 5.43 -0.00 -1.92 -1.89 117.51 119.77 1s1i h ILE 165 Ca -0.52 -0.76 0.00 0.00 -0.00 0.00 0.00 64.86 63.58 1s1i h ILE 165 Cb 1.21 0.75 0.00 0.00 -0.00 0.00 0.00 36.82 38.78 1s1i h ILE 165 CO 0.62 0.28 -0.85 2.30 -0.00 0.00 0.00 178.15 180.50 1s1i n ILE 166 N -4.49 -5.56 -2.41 2.19 -6.64 -1.26 -3.30 119.36 97.88 1s1i n ILE 166 Ca 0.02 2.40 -0.32 0.00 -1.77 0.00 0.00 62.75 63.09 1s1i n ILE 166 Cb 0.19 -3.17 -0.03 0.00 -1.44 0.00 0.00 39.64 35.19 1s1i n ILE 166 CO 0.00 0.00 0.00 -0.22 -1.77 0.00 0.00 176.55 174.56 1s1i s LEU 167 N -1.79 3.61 0.00 7.28 1.98 -1.26 -4.29 118.68 124.21 1s1i s LEU 167 Ca 0.00 1.48 0.00 0.00 -2.89 0.00 0.00 54.13 52.72 1s1i s LEU 167 Cb 0.00 -4.42 0.00 0.00 0.66 0.00 0.00 46.19 42.43 1s1i s LEU 167 CO 0.00 -0.59 0.34 -1.20 -1.89 0.00 0.00 176.35 173.01