#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cma n LYS 2 N 0.00 0.61 -2.09 4.33 2.85 -1.26 -4.75 118.16 117.85 3cma n LYS 2 Ca 0.00 0.15 -0.42 0.00 -1.05 0.00 0.00 58.31 56.99 3cma n LYS 2 Cb 0.00 -1.83 -0.03 0.00 -0.65 0.00 0.00 35.03 32.52 3cma n LYS 2 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 3cma s GLN 3 N -3.27 4.28 0.21 -1.58 -0.21 -1.26 -4.92 119.66 112.91 3cma s GLN 3 Ca -0.01 2.16 -0.08 0.00 0.02 0.00 0.00 55.36 57.45 3cma s GLN 3 Cb 0.09 -3.26 0.29 0.00 1.00 0.00 0.00 33.01 31.13 3cma s GLN 3 CO 0.79 -0.51 1.77 -1.35 -2.12 0.00 0.00 175.29 173.87 3cma h PRO 4 N 6.95 0.53 0.20 2.91 0.11 -2.00 -2.74 132.00 137.96 3cma h PRO 4 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3cma h PRO 4 Cb 1.21 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3cma h PRO 4 CO 0.88 0.35 -0.20 -0.44 -0.21 0.00 0.00 178.00 178.38 3cma h ASP 5 N 0.54 -0.55 -0.80 -2.05 5.19 -1.99 -0.77 116.42 115.99 3cma h ASP 5 Ca 0.32 0.05 0.04 0.00 -0.62 0.00 0.00 57.03 56.82 3cma h ASP 5 Cb 0.33 0.19 -0.05 0.00 0.18 0.00 0.00 39.33 39.99 3cma h ASP 5 CO -0.26 -0.30 0.53 0.11 -3.12 0.00 0.00 179.24 176.19 3cma h LYS 6 N -0.44 0.95 0.51 3.56 1.57 -1.94 0.30 116.57 121.09 3cma h LYS 6 Ca 0.00 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3cma h LYS 6 Cb 0.41 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 32.51 3cma h LYS 6 CO -0.05 0.63 -0.25 1.96 -0.57 0.00 0.00 179.45 181.17 3cma h GLN 7 N 0.98 -0.67 -0.49 3.15 1.08 -1.16 0.31 115.11 118.31 3cma h GLN 7 Ca 0.32 0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.59 3cma h GLN 7 Cb 0.05 0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.60 3cma h GLN 7 CO -0.09 -0.38 0.33 0.00 -0.95 0.00 0.00 178.83 177.73 3cma h ARG 8 N -0.85 0.58 0.66 1.46 3.08 -0.94 -2.23 114.38 116.13 3cma h ARG 8 Ca -0.07 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 3cma h ARG 8 Cb 0.59 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.52 3cma h ARG 8 CO 0.12 0.38 -0.32 -0.22 -1.07 0.00 0.00 179.97 178.86 3cma h LYS 9 N 0.60 -0.85 -0.25 0.04 3.64 -0.65 -0.75 116.57 118.34 3cma h LYS 9 Ca 0.19 0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.70 3cma h LYS 9 Cb 0.04 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3cma h LYS 9 CO -0.05 -0.57 0.41 0.66 -2.27 0.00 0.00 179.45 177.64 3cma h SER 10 N -1.18 0.00 0.00 4.20 4.64 -0.24 0.10 113.55 121.07 3cma h SER 10 Ca -0.09 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 3cma h SER 10 Cb 0.68 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3cma h SER 10 CO 0.15 0.00 -0.05 1.56 -0.87 0.00 0.00 176.83 177.62 3cma h GLN 11 N 0.00 0.00 0.00 4.77 4.20 -1.23 -3.13 115.11 119.72 3cma h GLN 11 Ca 0.12 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 3cma h GLN 11 Cb 0.94 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.71 3cma h GLN 11 CO -0.00 0.97 -0.09 0.00 -0.67 0.00 0.00 178.83 179.03 3cma h ARG 12 N -1.00 0.00 -0.35 1.46 3.08 0.36 -3.06 114.38 114.87 3cma h ARG 12 Ca -0.01 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.87 3cma h ARG 12 Cb 0.98 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.93 3cma h ARG 12 CO -0.01 0.09 -0.07 0.54 -1.07 0.00 0.00 179.97 179.45 3cma n ARG 13 N -4.05 1.91 -2.48 0.04 1.74 -0.13 -5.04 116.66 108.66 3cma n ARG 13 Ca -0.02 -3.16 -0.40 0.00 -0.77 0.00 0.00 57.85 53.49 3cma n ARG 13 Cb 0.18 -1.82 -0.04 0.00 -1.02 0.00 0.00 32.46 29.76 3cma n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cma s ALA 14 N -3.22 3.39 0.77 7.54 0.00 -1.16 -4.97 121.76 124.10 3cma s ALA 14 Ca 0.44 0.89 -0.13 0.00 0.00 0.00 0.00 51.96 53.16 3cma s ALA 14 Cb 0.40 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 20.26 3cma s ALA 14 CO 0.00 -0.16 1.16 -2.14 0.00 0.00 0.00 175.76 174.62 3cma s PRO 15 N -1.50 2.00 0.20 0.00 0.02 -1.26 -4.74 135.00 129.72 3cma s PRO 15 Ca 0.45 1.55 -0.17 0.00 0.02 0.00 0.00 61.00 62.85 3cma s PRO 15 Cb -0.31 -1.84 0.19 0.00 0.02 0.00 0.00 34.50 32.55 3cma s PRO 15 CO 0.40 -1.90 1.60 -0.07 -0.33 0.00 0.00 177.00 176.70 3cma h LEU 16 N -0.75 -0.95 -2.41 -5.54 3.38 -1.98 0.15 115.31 107.21 3cma h LEU 16 Ca -0.46 0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.74 3cma h LEU 16 Cb 1.27 0.52 -0.00 0.00 0.09 0.00 0.00 40.66 42.54 3cma h LEU 16 CO 0.49 -0.27 0.03 1.12 0.09 0.00 0.00 178.44 179.89 3cma h HIS 17 N -0.10 0.00 -0.01 1.13 2.07 -2.03 0.83 115.15 117.05 3cma h HIS 17 Ca 0.27 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.79 3cma h HIS 17 Cb 0.53 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.51 3cma h HIS 17 CO -0.60 0.00 -0.08 0.39 -3.07 0.00 0.00 177.93 174.57 3cma n GLU 18 N -3.88 1.11 0.02 5.12 1.02 0.50 -3.71 120.64 120.82 3cma n GLU 18 Ca -0.02 -0.49 0.12 0.00 -0.02 0.00 0.00 57.16 56.74 3cma n GLU 18 Cb 0.11 -1.49 0.21 0.00 -0.02 0.00 0.00 31.44 30.25 3cma n GLU 18 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3cma n ARG 19 N -0.52 0.11 -0.22 3.49 1.74 0.29 -3.91 116.66 117.64 3cma n ARG 19 Ca 0.17 0.02 0.05 0.00 -0.77 0.00 0.00 57.85 57.32 3cma n ARG 19 Cb 0.29 -1.56 0.30 0.00 -1.02 0.00 0.00 32.46 30.47 3cma n ARG 19 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3cma h HIS 20 N 0.00 0.87 0.00 -1.55 3.86 -1.65 0.11 115.15 116.78 3cma h HIS 20 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3cma h HIS 20 Cb 0.59 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.77 3cma h HIS 20 CO 0.00 0.48 0.00 0.36 0.86 0.00 0.00 177.93 179.63 3cma n LYS 21 N -4.47 0.13 -0.13 2.45 2.85 -1.25 -1.84 118.16 115.90 3cma n LYS 21 Ca 0.11 0.18 0.11 0.00 -1.05 0.00 0.00 58.31 57.66 3cma n LYS 21 Cb 0.18 -1.50 0.29 0.00 -0.65 0.00 0.00 35.03 33.36 3cma n LYS 21 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3cma n GLN 22 N -1.37 2.09 -0.34 -1.58 6.02 0.36 -3.80 117.38 118.76 3cma n GLN 22 Ca 0.06 -1.64 0.07 0.00 -0.01 0.00 0.00 57.00 55.48 3cma n GLN 22 Cb 0.14 -1.45 0.11 0.00 1.02 0.00 0.00 30.24 30.07 3cma n GLN 22 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3cma n VAL 23 N 0.86 1.38 -3.03 5.09 0.24 -0.77 -4.80 118.33 117.31 3cma n VAL 23 Ca 0.17 -1.81 -0.39 0.00 -2.04 0.00 0.00 64.34 60.27 3cma n VAL 23 Cb 0.46 0.01 -0.06 0.00 -1.47 0.00 0.00 33.84 32.78 3cma n VAL 23 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3cma s ARG 24 N -2.09 4.50 0.13 7.34 0.52 -1.24 -2.01 118.95 126.10 3cma s ARG 24 Ca 0.26 1.08 0.06 0.00 -0.52 0.00 0.00 55.73 56.61 3cma s ARG 24 Cb 0.24 -3.24 -0.04 0.00 0.52 0.00 0.00 34.95 32.43 3cma s ARG 24 CO -0.00 0.58 -0.14 0.00 0.02 0.00 0.00 175.30 175.75 3cma s ALA 25 N -1.16 1.54 0.56 2.13 0.00 0.36 -4.42 121.76 120.78 3cma s ALA 25 Ca 0.35 -1.34 -0.18 0.00 0.00 0.00 0.00 51.96 50.79 3cma s ALA 25 Cb -0.22 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 3cma s ALA 25 CO 0.25 0.09 1.08 -0.08 0.00 0.00 0.00 175.76 177.10 3cma s THR 26 N -2.27 3.54 0.55 0.00 -1.32 -1.25 -0.18 115.64 114.70 3cma s THR 26 Ca 0.11 0.84 0.00 0.00 -1.21 0.00 0.00 61.69 61.43 3cma s THR 26 Cb -0.04 -3.33 0.03 0.00 -1.51 0.00 0.00 72.50 67.65 3cma s THR 26 CO 0.03 -0.32 0.78 -0.76 -2.21 0.00 0.00 174.62 172.14 3cma s LEU 27 N -4.11 3.30 1.13 9.08 1.43 -0.05 -1.38 118.68 128.08 3cma s LEU 27 Ca 0.68 0.08 -0.19 0.00 -1.03 0.00 0.00 54.13 53.67 3cma s LEU 27 Cb -0.19 -2.95 0.27 0.00 0.03 0.00 0.00 46.19 43.35 3cma s LEU 27 CO 0.30 -1.11 1.22 -0.94 0.23 0.00 0.00 176.35 176.06 3cma s SER 28 N -4.40 1.57 0.07 2.29 1.04 -0.90 -4.78 113.70 108.59 3cma s SER 28 Ca 0.56 0.37 -0.19 0.00 0.48 0.00 0.00 55.95 57.16 3cma s SER 28 Cb -0.10 -0.43 -0.10 0.00 0.10 0.00 0.00 66.02 65.48 3cma s SER 28 CO 0.39 -3.70 1.49 0.00 0.98 0.00 0.00 173.24 172.40 3cma h ALA 29 N -2.30 0.29 0.47 5.32 0.00 -1.99 -2.33 119.26 118.72 3cma h ALA 29 Ca -0.43 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 3cma h ALA 29 Cb 1.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3cma h ALA 29 CO 0.31 0.03 -0.49 -0.44 0.00 0.00 0.00 179.25 178.66 3cma h ASP 30 N 0.13 -1.34 -0.91 0.00 3.32 -1.98 -2.70 116.42 112.94 3cma h ASP 30 Ca 0.06 0.11 0.13 0.00 0.02 0.00 0.00 57.03 57.34 3cma h ASP 30 Cb 0.43 0.44 -0.09 0.00 0.22 0.00 0.00 39.33 40.34 3cma h ASP 30 CO 0.01 -0.64 0.53 -0.07 -1.72 0.00 0.00 179.24 177.36 3cma h LEU 31 N -0.96 0.74 -1.06 1.55 3.38 -1.93 0.15 115.31 117.18 3cma h LEU 31 Ca -0.06 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3cma h LEU 31 Cb 0.84 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 3cma h LEU 31 CO -0.07 0.37 0.64 0.03 0.09 0.00 0.00 178.44 179.50 3cma h ARG 32 N 0.82 1.23 0.29 1.13 3.08 -1.31 -0.98 114.38 118.63 3cma h ARG 32 Ca 0.47 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.43 3cma h ARG 32 Cb 0.53 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3cma h ARG 32 CO -0.29 0.81 -0.14 1.49 -1.07 0.00 0.00 179.97 180.77 3cma h GLU 33 N 1.27 -0.37 0.00 0.04 4.57 -0.70 0.26 114.58 119.64 3cma h GLU 33 Ca 0.37 0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.57 3cma h GLU 33 Cb -0.08 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3cma h GLU 33 CO -0.09 -0.05 -0.00 1.49 -1.18 0.00 0.00 179.01 179.17 3cma h GLU 34 N -0.74 0.00 0.00 1.92 4.81 -0.53 -3.22 114.58 116.82 3cma h GLU 34 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3cma h GLU 34 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3cma h GLU 34 CO 0.07 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 179.01 3cma n TYR 35 N -3.80 0.00 -2.20 0.92 4.02 -0.40 -5.02 117.16 110.68 3cma n TYR 35 Ca -0.03 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.76 3cma n TYR 35 Cb 0.08 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.40 3cma n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3cma n GLY 36 N 0.72 -0.05 3.33 2.72 0.00 0.89 -4.83 105.19 107.96 3cma n GLY 36 Ca 0.00 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 3cma n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cma s GLN 37 N -4.51 1.31 -0.12 1.61 -0.21 -1.16 -5.06 119.66 111.51 3cma s GLN 37 Ca 0.00 -1.63 0.17 0.00 0.02 0.00 0.00 55.36 53.92 3cma s GLN 37 Cb -0.00 -0.75 -0.25 0.00 1.00 0.00 0.00 33.01 33.02 3cma s GLN 37 CO 0.00 -0.01 0.18 -2.13 -2.12 0.00 0.00 175.29 171.21 3cma n ARG 38 N -0.39 0.92 -1.40 2.91 0.63 -1.26 -4.26 116.66 113.81 3cma n ARG 38 Ca -0.07 -0.07 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 3cma n ARG 38 Cb 0.63 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 32.08 3cma n ARG 38 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3cma n ASN 39 N -2.49 0.00 -3.61 6.15 6.94 -1.26 -0.87 115.26 120.12 3cma n ASN 39 Ca -0.20 -0.84 -0.05 0.00 -0.02 0.00 0.00 54.58 53.46 3cma n ASN 39 Cb 0.88 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 38.27 3cma n ASN 39 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3cma s VAL 40 N -2.24 0.00 -0.53 3.53 0.11 0.75 -4.78 120.40 117.24 3cma s VAL 40 Ca 0.00 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.78 3cma s VAL 40 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 3cma s VAL 40 CO 0.00 0.00 1.82 -0.60 -3.33 0.00 0.00 175.10 172.99 3cma s ARG 41 N -1.69 2.85 -0.01 1.54 3.52 -1.25 -0.49 118.95 123.42 3cma s ARG 41 Ca 0.07 0.83 -0.38 0.00 -0.13 0.00 0.00 55.73 56.12 3cma s ARG 41 Cb -0.01 -4.32 -0.16 0.00 -1.56 0.00 0.00 34.95 28.90 3cma s ARG 41 CO -0.04 -2.45 1.45 0.28 -0.81 0.00 0.00 175.30 173.72 3cma n VAL 42 N 7.26 0.08 -4.14 7.11 0.31 -0.85 -4.95 118.33 123.15 3cma n VAL 42 Ca 0.21 -0.02 -0.31 0.00 -0.01 0.00 0.00 64.34 64.22 3cma n VAL 42 Cb 0.51 -0.92 -0.08 0.00 -0.91 0.00 0.00 33.84 32.44 3cma n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3cma s ASN 43 N 1.32 5.11 0.00 4.52 0.01 -1.26 -4.96 114.94 119.68 3cma s ASN 43 Ca 0.88 -0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.91 3cma s ASN 43 Cb -0.99 -1.26 0.00 0.00 0.41 0.00 0.00 41.25 39.41 3cma s ASN 43 CO 0.52 0.19 0.03 0.00 -1.51 0.00 0.00 177.10 176.33 3cma n ALA 44 N 0.67 1.16 0.00 0.60 0.00 -1.26 -0.64 120.51 121.04 3cma n ALA 44 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3cma n ALA 44 Cb 0.52 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.97 3cma n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cma n GLY 45 N 0.58 0.00 3.69 0.00 0.00 -1.24 -4.58 105.19 103.64 3cma n GLY 45 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3cma n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cma s ASP 46 N -0.91 3.37 0.03 1.61 1.01 0.18 -4.52 116.67 117.45 3cma s ASP 46 Ca 0.00 2.25 0.02 0.00 0.71 0.00 0.00 52.55 55.52 3cma s ASP 46 Cb 0.00 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 3cma s ASP 46 CO 0.00 -2.81 0.04 -0.89 0.21 0.00 0.00 175.17 171.73 3cma s THR 47 N -2.43 4.40 0.07 -1.27 2.01 0.18 -1.51 115.64 117.09 3cma s THR 47 Ca 0.69 -0.63 -0.06 0.00 0.31 0.00 0.00 61.69 62.00 3cma s THR 47 Cb -0.25 -3.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 3cma s THR 47 CO 0.54 0.28 0.11 -0.69 -0.69 0.00 0.00 174.62 174.17 3cma s VAL 48 N -1.22 0.17 -0.06 3.82 1.01 -0.26 -1.22 120.40 122.64 3cma s VAL 48 Ca 0.24 -1.38 0.05 0.00 0.00 0.00 0.00 61.98 60.88 3cma s VAL 48 Cb -0.12 -1.38 -0.00 0.00 0.00 0.00 0.00 36.38 34.88 3cma s VAL 48 CO 0.15 -0.76 -0.21 -1.83 0.00 0.00 0.00 175.10 172.45 3cma s GLU 49 N -3.82 2.32 -0.09 2.72 -1.05 -0.02 -1.22 118.70 117.54 3cma s GLU 49 Ca 0.05 -0.74 -0.30 0.00 -0.15 0.00 0.00 54.97 53.83 3cma s GLU 49 Cb 0.06 -1.90 -0.02 0.00 -0.44 0.00 0.00 34.13 31.82 3cma s GLU 49 CO -0.10 0.24 1.06 0.08 0.95 0.00 0.00 175.26 177.49 3cma s VAL 50 N 0.13 4.64 -1.36 1.83 1.01 0.58 -1.76 120.40 125.46 3cma s VAL 50 Ca -0.09 1.92 0.11 0.00 0.00 0.00 0.00 61.98 63.92 3cma s VAL 50 Cb -0.14 -4.24 0.09 0.00 0.00 0.00 0.00 36.38 32.09 3cma s VAL 50 CO 0.04 0.01 0.84 0.18 0.00 0.00 0.00 175.10 176.18 3cma n LEU 51 N 5.01 1.90 0.00 3.92 4.77 0.52 0.74 117.00 133.86 3cma n LEU 51 Ca 0.09 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 3cma n LEU 51 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3cma n LEU 51 CO 0.53 0.36 0.00 0.54 -1.33 0.00 0.00 177.39 177.49 3cma n ARG 52 N 0.60 0.00 0.00 3.23 5.12 -1.23 -4.87 116.66 119.52 3cma n ARG 52 Ca 0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 3cma n ARG 52 Cb 0.27 -0.37 0.00 0.00 -1.16 0.00 0.00 32.46 31.20 3cma n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3cma n GLY 53 N 0.36 -2.92 0.11 -0.13 0.00 -1.26 -4.60 105.19 96.75 3cma n GLY 53 Ca 0.00 -0.98 0.13 0.00 0.00 0.00 0.00 46.02 45.17 3cma n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cma n ASP 54 N 0.00 0.57 -1.13 1.61 10.43 -1.26 -2.76 116.55 124.01 3cma n ASP 54 Ca 0.00 -0.47 0.08 0.00 2.57 0.00 0.00 54.79 56.97 3cma n ASP 54 Cb 0.00 0.00 0.28 0.00 1.84 0.00 0.00 41.12 43.24 3cma n ASP 54 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3cma n PHE 55 N -1.05 1.08 -1.64 1.24 3.01 -1.26 -4.99 117.46 113.85 3cma n PHE 55 Ca 0.11 -0.68 -0.49 0.00 1.01 0.00 0.00 57.45 57.39 3cma n PHE 55 Cb 0.32 -0.23 -0.05 0.00 -0.01 0.00 0.00 39.48 39.50 3cma n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3cma n ALA 56 N 0.36 0.89 0.00 4.37 0.00 -1.11 -2.25 120.51 122.77 3cma n ALA 56 Ca 0.21 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3cma n ALA 56 Cb 0.80 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3cma n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cma n GLY 57 N 4.86 1.45 3.19 0.00 0.00 0.23 -4.94 105.19 109.98 3cma n GLY 57 Ca 0.27 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.02 3cma n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cma s GLU 58 N -0.17 1.72 0.17 1.61 2.02 -0.95 -4.90 118.70 118.20 3cma s GLU 58 Ca 0.00 -0.70 0.07 0.00 0.02 0.00 0.00 54.97 54.36 3cma s GLU 58 Cb 0.00 -1.60 -0.04 0.00 0.10 0.00 0.00 34.13 32.59 3cma s GLU 58 CO 0.00 0.38 0.03 -1.21 0.02 0.00 0.00 175.26 174.49 3cma s GLU 59 N -0.33 2.53 0.02 1.61 2.02 -1.26 -0.31 118.70 122.98 3cma s GLU 59 Ca 0.04 -1.05 -0.27 0.00 0.02 0.00 0.00 54.97 53.70 3cma s GLU 59 Cb -0.09 -2.43 0.09 0.00 0.10 0.00 0.00 34.13 31.81 3cma s GLU 59 CO 0.00 0.46 1.24 0.20 0.02 0.00 0.00 175.26 177.18 3cma s GLY 60 N -3.00 -0.09 -0.14 -1.39 0.00 -0.36 -4.97 107.32 97.37 3cma s GLY 60 Ca 0.28 -0.00 -0.16 0.00 0.00 0.00 0.00 44.72 44.84 3cma s GLY 60 CO 0.20 4.74 0.37 1.85 0.00 0.00 0.00 173.10 180.25 3cma s GLU 61 N -2.07 4.27 -0.27 2.90 2.12 -1.26 -1.10 118.70 123.29 3cma s GLU 61 Ca 0.27 0.25 -0.28 0.00 0.36 0.00 0.00 54.97 55.56 3cma s GLU 61 Cb -0.01 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 3cma s GLU 61 CO 0.00 0.22 1.89 0.08 -0.54 0.00 0.00 175.26 176.92 3cma s VAL 62 N 0.47 3.36 -0.19 3.70 1.01 -0.57 -0.49 120.40 127.69 3cma s VAL 62 Ca 0.20 0.38 0.20 0.00 0.00 0.00 0.00 61.98 62.77 3cma s VAL 62 Cb -0.14 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 3cma s VAL 62 CO 0.07 -0.27 0.96 -0.38 0.00 0.00 0.00 175.10 175.48 3cma n ILE 63 N 7.30 0.82 -3.64 2.22 2.08 0.22 -3.65 119.36 124.72 3cma n ILE 63 Ca 0.24 -0.60 -0.15 0.00 0.56 0.00 0.00 62.75 62.80 3cma n ILE 63 Cb 0.46 -0.48 -0.07 0.00 -0.75 0.00 0.00 39.64 38.79 3cma n ILE 63 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3cma s ASN 64 N -5.51 -0.47 -0.30 4.38 2.47 -1.09 -4.96 114.94 109.46 3cma s ASN 64 Ca -0.01 0.56 -0.02 0.00 0.42 0.00 0.00 52.86 53.80 3cma s ASN 64 Cb 0.09 0.57 0.10 0.00 -1.45 0.00 0.00 41.25 40.56 3cma s ASN 64 CO 0.80 -0.47 0.12 -0.69 -3.72 0.00 0.00 177.10 173.13 3cma s VAL 65 N -0.96 0.37 -0.40 -5.21 1.01 -1.26 -0.51 120.40 113.45 3cma s VAL 65 Ca -0.10 -1.07 -0.19 0.00 0.00 0.00 0.00 61.98 60.63 3cma s VAL 65 Cb -0.03 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 35.07 3cma s VAL 65 CO 0.06 -0.71 0.53 -0.62 0.00 0.00 0.00 175.10 174.37 3cma s ASP 66 N 1.86 6.29 0.39 3.32 2.15 -0.12 -4.93 116.67 125.62 3cma s ASP 66 Ca 0.09 -0.30 0.17 0.00 0.43 0.00 0.00 52.55 52.95 3cma s ASP 66 Cb -0.17 -2.27 0.80 0.00 -0.30 0.00 0.00 42.92 40.99 3cma s ASP 66 CO -0.31 -0.60 1.82 -0.07 -0.17 0.00 0.00 175.17 175.84 3cma h LEU 67 N 9.27 0.00 0.23 -1.34 3.38 -1.94 0.14 115.31 125.05 3cma h LEU 67 Ca -0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3cma h LEU 67 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3cma h LEU 67 CO 0.82 0.35 -0.11 -0.78 0.09 0.00 0.00 178.44 178.80 3cma h ASP 68 N 0.00 -0.26 -0.05 -0.43 1.82 -1.96 -2.94 116.42 112.60 3cma h ASP 68 Ca -0.00 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 3cma h ASP 68 Cb 0.72 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.80 3cma h ASP 68 CO 0.05 -0.07 0.00 0.29 -1.61 0.00 0.00 179.24 177.90 3cma n LYS 69 N -5.16 2.03 -3.69 0.28 5.02 -1.23 -4.97 118.16 110.44 3cma n LYS 69 Ca -0.09 -1.50 -0.29 0.00 -2.02 0.00 0.00 58.31 54.41 3cma n LYS 69 Cb 0.19 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.77 3cma n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cma n ALA 70 N 0.81 -2.43 -2.29 7.82 0.00 0.37 -4.99 120.51 119.81 3cma n ALA 70 Ca 0.17 -0.21 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 3cma n ALA 70 Cb 0.48 -3.70 -0.09 0.00 0.00 0.00 0.00 19.45 16.14 3cma n ALA 70 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3cma s VAL 71 N -3.54 0.05 0.12 0.00 1.01 -0.56 -4.77 120.40 112.71 3cma s VAL 71 Ca 0.37 -1.87 0.04 0.00 0.00 0.00 0.00 61.98 60.52 3cma s VAL 71 Cb -0.13 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3cma s VAL 71 CO 0.85 -0.23 -0.10 0.27 0.00 0.00 0.00 175.10 175.89 3cma s ILE 72 N -4.08 1.06 -0.17 2.22 -4.36 -0.58 -0.95 121.20 114.34 3cma s ILE 72 Ca 0.29 -1.89 -0.00 0.00 -0.26 0.00 0.00 60.65 58.79 3cma s ILE 72 Cb 0.06 -1.65 -0.00 0.00 1.25 0.00 0.00 42.46 42.12 3cma s ILE 72 CO 0.06 -0.68 -0.14 -1.00 0.24 0.00 0.00 174.94 173.43 3cma s HIS 73 N -3.00 2.82 -0.05 1.37 3.76 0.34 -1.20 115.29 119.33 3cma s HIS 73 Ca 0.12 -1.05 0.04 0.00 -0.15 0.00 0.00 55.06 54.02 3cma s HIS 73 Cb 0.01 -1.93 -0.02 0.00 1.11 0.00 0.00 32.58 31.75 3cma s HIS 73 CO -0.00 -0.50 -0.17 0.08 -0.85 0.00 0.00 174.74 173.30 3cma s VAL 74 N 0.94 2.81 -0.18 -0.90 1.01 -1.26 0.72 120.40 123.53 3cma s VAL 74 Ca -0.03 -0.81 -0.39 0.00 0.00 0.00 0.00 61.98 60.75 3cma s VAL 74 Cb -0.15 -2.08 -0.16 0.00 0.00 0.00 0.00 36.38 33.99 3cma s VAL 74 CO -0.02 0.58 1.64 1.21 0.00 0.00 0.00 175.10 178.52 3cma n GLU 75 N 2.44 1.17 -1.01 2.72 2.13 0.36 -1.08 120.64 127.36 3cma n GLU 75 Ca -0.17 0.43 -0.00 0.00 0.66 0.00 0.00 57.16 58.07 3cma n GLU 75 Cb 0.52 -2.10 -0.00 0.00 0.27 0.00 0.00 31.44 30.13 3cma n GLU 75 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3cma n ASP 76 N 4.67 -4.20 0.00 4.31 8.00 -1.26 -4.63 116.55 123.44 3cma n ASP 76 Ca 0.24 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.75 3cma n ASP 76 Cb 0.15 -1.72 0.00 0.00 -0.02 0.00 0.00 41.12 39.52 3cma n ASP 76 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3cma n VAL 77 N -2.60 0.00 0.00 2.53 0.31 -0.24 -4.95 118.33 113.38 3cma n VAL 77 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3cma n VAL 77 Cb 0.20 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 3cma n VAL 77 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3cma n THR 78 N 0.00 0.00 -3.83 2.52 -2.24 -1.26 -1.71 114.28 107.77 3cma n THR 78 Ca 0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 3cma n THR 78 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 3cma n THR 78 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3cma s LEU 79 N 0.00 4.23 -0.27 3.22 1.43 0.17 -4.83 118.68 122.63 3cma s LEU 79 Ca 0.00 0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 53.13 3cma s LEU 79 Cb 0.00 -2.89 0.01 0.00 0.03 0.00 0.00 46.19 43.34 3cma s LEU 79 CO 0.00 -0.15 0.00 -0.70 0.23 0.00 0.00 176.35 175.73 3cma s GLU 80 N -4.05 3.01 0.95 1.70 2.12 -1.26 -1.05 118.70 120.12 3cma s GLU 80 Ca 0.36 -0.88 -0.11 0.00 0.36 0.00 0.00 54.97 54.70 3cma s GLU 80 Cb -0.09 -3.16 0.16 0.00 0.26 0.00 0.00 34.13 31.31 3cma s GLU 80 CO 0.30 -0.39 1.10 0.15 -0.54 0.00 0.00 175.26 175.88 3cma s LYS 81 N 1.42 0.77 0.16 4.30 1.02 0.20 -4.87 119.74 122.75 3cma s LYS 81 Ca 0.02 1.23 -0.16 0.00 0.02 0.00 0.00 55.97 57.08 3cma s LYS 81 Cb -0.17 -1.72 0.07 0.00 -0.52 0.00 0.00 37.83 35.49 3cma s LYS 81 CO -0.01 -2.70 1.76 1.15 -0.92 0.00 0.00 175.35 174.63 3cma h THR 82 N -1.90 0.90 0.00 2.17 2.02 -1.99 -0.04 112.91 114.07 3cma h THR 82 Ca -0.48 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 66.59 3cma h THR 82 Cb 1.28 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3cma h THR 82 CO 0.47 0.06 0.00 -0.90 0.37 0.00 0.00 175.52 175.51 3cma n ASP 83 N -5.00 0.00 0.00 4.18 5.75 -1.26 -4.82 116.55 115.40 3cma n ASP 83 Ca 0.02 -0.04 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 3cma n ASP 83 Cb 0.13 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 3cma n ASP 83 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cma n GLY 84 N -0.49 2.52 3.52 6.12 0.00 -0.03 -5.06 105.19 111.78 3cma n GLY 84 Ca 0.05 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 3cma n GLY 84 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3cma n GLU 85 N 0.00 0.90 -3.73 1.61 2.13 -1.26 -4.43 120.64 115.87 3cma n GLU 85 Ca 0.00 0.32 -0.37 0.00 0.66 0.00 0.00 57.16 57.77 3cma n GLU 85 Cb 0.00 -1.71 -0.12 0.00 0.27 0.00 0.00 31.44 29.88 3cma n GLU 85 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 3cma s GLU 86 N -1.70 3.34 0.26 5.31 2.12 -1.26 0.63 118.70 127.40 3cma s GLU 86 Ca 0.63 -0.69 0.10 0.00 0.36 0.00 0.00 54.97 55.36 3cma s GLU 86 Cb -0.62 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.32 3cma s GLU 86 CO 0.58 -0.35 -0.04 0.14 -0.54 0.00 0.00 175.26 175.05 3cma s VAL 87 N 1.57 3.30 0.19 3.70 -7.23 -0.21 -4.96 120.40 116.76 3cma s VAL 87 Ca 0.04 -1.95 -0.30 0.00 -1.81 0.00 0.00 61.98 57.96 3cma s VAL 87 Cb -0.16 -2.75 -0.08 0.00 0.56 0.00 0.00 36.38 33.95 3cma s VAL 87 CO 0.04 -0.35 1.01 -2.16 -0.31 0.00 0.00 175.10 173.33 3cma s PRO 88 N -3.57 4.71 -0.38 4.82 0.04 -1.26 0.42 135.00 139.78 3cma s PRO 88 Ca 0.31 1.58 -0.17 0.00 0.04 0.00 0.00 61.00 62.76 3cma s PRO 88 Cb -0.06 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.18 3cma s PRO 88 CO 0.19 0.26 0.44 0.50 0.04 0.00 0.00 177.00 178.43 3cma s ARG 89 N -0.63 3.38 0.28 4.56 6.06 -0.69 -4.72 118.95 127.19 3cma s ARG 89 Ca 0.46 -0.49 -0.30 0.00 -2.50 0.00 0.00 55.73 52.90 3cma s ARG 89 Cb -0.27 -3.88 -0.12 0.00 0.06 0.00 0.00 34.95 30.75 3cma s ARG 89 CO 0.33 -0.71 1.57 -2.30 -2.50 0.00 0.00 175.30 171.70 3cma n PRO 90 N 5.60 2.61 -4.27 5.12 -0.02 -1.26 -4.78 135.00 138.00 3cma n PRO 90 Ca -0.07 0.93 -0.29 0.00 -2.02 0.00 0.00 63.50 62.05 3cma n PRO 90 Cb 0.48 -2.69 -0.10 0.00 -0.02 0.00 0.00 33.50 31.16 3cma n PRO 90 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3cma s LEU 91 N -0.36 2.87 -0.12 2.45 1.43 -0.34 -4.89 118.68 119.70 3cma s LEU 91 Ca 0.65 -0.51 -0.19 0.00 -1.03 0.00 0.00 54.13 53.05 3cma s LEU 91 Cb -0.52 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 3cma s LEU 91 CO 0.48 0.16 0.52 -0.62 0.23 0.00 0.00 176.35 177.13 3cma s ASP 92 N -2.30 6.71 0.66 2.29 -1.08 -1.26 -1.52 116.67 120.17 3cma s ASP 92 Ca 0.20 0.85 0.33 0.00 -0.52 0.00 0.00 52.55 53.41 3cma s ASP 92 Cb -0.10 -2.31 1.77 0.00 -1.46 0.00 0.00 42.92 40.82 3cma s ASP 92 CO 0.12 -0.05 2.00 0.71 0.52 0.00 0.00 175.17 178.47 3cma h THR 93 N 4.80 0.02 0.00 1.71 1.35 -1.86 0.83 112.91 119.76 3cma h THR 93 Ca -0.40 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.45 3cma h THR 93 Cb 1.18 0.73 -0.00 0.00 -1.73 0.00 0.00 68.15 68.32 3cma h THR 93 CO 0.75 0.00 -0.05 -1.28 -0.25 0.00 0.00 175.52 174.69 3cma h SER 94 N 0.00 0.00 -0.59 5.36 0.87 -1.92 -1.17 113.55 116.11 3cma h SER 94 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3cma h SER 94 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 3cma h SER 94 CO -0.00 0.05 0.00 0.59 -0.53 0.00 0.00 176.83 176.94 3cma n ASN 95 N -3.46 4.32 -4.32 6.23 3.02 0.28 -4.98 115.26 116.35 3cma n ASN 95 Ca -0.02 -2.37 -0.18 0.00 -0.03 0.00 0.00 54.58 51.99 3cma n ASN 95 Cb 0.18 -0.51 -0.10 0.00 -0.61 0.00 0.00 39.78 38.74 3cma n ASN 95 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3cma s VAL 96 N -1.68 1.62 -0.04 2.41 1.01 -0.44 -0.36 120.40 122.91 3cma s VAL 96 Ca 0.46 -2.16 0.01 0.00 0.00 0.00 0.00 61.98 60.29 3cma s VAL 96 Cb 0.29 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.71 3cma s VAL 96 CO 0.23 -0.61 -0.02 -0.60 0.00 0.00 0.00 175.10 174.10 3cma s ARG 97 N -3.61 0.61 0.09 2.72 3.52 -0.72 -3.81 118.95 117.74 3cma s ARG 97 Ca 0.21 -0.03 -0.30 0.00 -0.13 0.00 0.00 55.73 55.48 3cma s ARG 97 Cb -0.00 -0.70 -0.06 0.00 -1.56 0.00 0.00 34.95 32.62 3cma s ARG 97 CO 0.05 -0.11 1.17 0.08 -0.81 0.00 0.00 175.30 175.69 3cma s VAL 98 N 1.00 4.01 -0.23 7.11 1.01 -0.48 -0.84 120.40 131.98 3cma s VAL 98 Ca -0.10 1.50 0.04 0.00 0.00 0.00 0.00 61.98 63.41 3cma s VAL 98 Cb -0.14 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 3cma s VAL 98 CO -0.01 0.15 0.23 0.35 0.00 0.00 0.00 175.10 175.82 3cma n THR 99 N 3.58 0.00 -3.61 3.92 -2.24 -0.36 -2.12 114.28 113.44 3cma n THR 99 Ca 0.07 -0.43 -0.03 0.00 -2.27 0.00 0.00 64.05 61.39 3cma n THR 99 Cb 0.46 1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 69.65 3cma n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3cma s ASP 100 N -1.16 -0.86 0.20 3.42 -1.08 -1.19 -4.95 116.67 111.05 3cma s ASP 100 Ca 0.02 1.30 -0.01 0.00 -0.52 0.00 0.00 52.55 53.33 3cma s ASP 100 Cb 0.03 1.62 -0.04 0.00 -1.46 0.00 0.00 42.92 43.06 3cma s ASP 100 CO 0.13 -0.20 0.40 -0.76 0.52 0.00 0.00 175.17 175.27 3cma s LEU 101 N 2.00 4.22 -0.43 -1.34 1.43 -1.26 0.50 118.68 123.79 3cma s LEU 101 Ca -0.08 0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 53.38 3cma s LEU 101 Cb -0.07 -3.21 0.09 0.00 0.03 0.00 0.00 46.19 43.03 3cma s LEU 101 CO -0.18 -0.05 0.27 -0.62 0.23 0.00 0.00 176.35 176.00 3cma s ASP 102 N -3.09 5.60 -0.45 2.29 -1.08 -1.26 -4.87 116.67 113.82 3cma s ASP 102 Ca 0.39 -1.65 0.04 0.00 -0.52 0.00 0.00 52.55 50.81 3cma s ASP 102 Cb -0.11 -1.97 0.58 0.00 -1.46 0.00 0.00 42.92 39.96 3cma s ASP 102 CO 0.29 -0.57 1.80 0.18 0.52 0.00 0.00 175.17 177.39 3cma n LEU 103 N 4.88 6.23 0.21 -1.34 4.77 -1.26 -4.62 117.00 125.87 3cma n LEU 103 Ca -0.09 -3.83 0.14 0.00 -0.03 0.00 0.00 56.01 52.20 3cma n LEU 103 Cb 0.42 -0.80 0.73 0.00 -2.33 0.00 0.00 43.42 41.44 3cma n LEU 103 CO 0.39 1.23 0.92 -0.33 -1.33 0.00 0.00 177.39 178.28 3cma h GLU 104 N 1.24 0.00 -5.29 3.23 5.08 -2.03 -3.40 114.58 113.41 3cma h GLU 104 Ca 0.53 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 58.27 3cma h GLU 104 Cb 2.15 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 31.24 3cma h GLU 104 CO 1.02 0.00 -0.57 0.34 -1.00 0.00 0.00 179.01 178.79 3cma s ASP 105 N -4.25 5.55 0.13 1.42 2.15 -1.26 -5.00 116.67 115.41 3cma s ASP 105 Ca -0.03 0.06 -0.17 0.00 0.43 0.00 0.00 52.55 52.84 3cma s ASP 105 Cb 0.08 -1.95 -0.02 0.00 -0.30 0.00 0.00 42.92 40.73 3cma s ASP 105 CO 0.24 0.18 1.75 -0.33 -0.17 0.00 0.00 175.17 176.84 3cma h GLU 106 N 6.68 0.46 -0.67 4.34 5.08 -2.00 -2.56 114.58 125.91 3cma h GLU 106 Ca -0.36 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.03 3cma h GLU 106 Cb 1.17 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.26 3cma h GLU 106 CO 0.70 0.37 0.33 0.87 -1.00 0.00 0.00 179.01 180.27 3cma h LYS 107 N 0.43 0.55 0.60 2.33 1.57 -1.95 0.22 116.57 120.32 3cma h LYS 107 Ca 0.12 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3cma h LYS 107 Cb 0.03 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.22 3cma h LYS 107 CO -0.02 0.37 -0.29 -0.09 -0.57 0.00 0.00 179.45 178.85 3cma h ARG 108 N 0.57 -0.78 -0.75 3.15 2.43 -1.92 0.22 114.38 117.31 3cma h ARG 108 Ca 0.32 0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.69 3cma h ARG 108 Cb 0.32 0.18 -0.10 0.00 -0.42 0.00 0.00 29.97 29.95 3cma h ARG 108 CO -0.25 -0.46 0.29 1.49 -1.51 0.00 0.00 179.97 179.52 3cma h GLU 109 N -1.08 0.41 -0.78 0.20 4.81 -1.30 0.59 114.58 117.43 3cma h GLU 109 Ca -0.08 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 3cma h GLU 109 Cb 0.67 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 3cma h GLU 109 CO 0.14 0.27 0.42 0.00 -0.73 0.00 0.00 179.01 179.11 3cma h ALA 110 N 1.55 1.00 0.15 2.92 0.00 -0.53 -0.24 119.26 124.11 3cma h ALA 110 Ca 0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3cma h ALA 110 Cb 0.62 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3cma h ALA 110 CO -0.41 0.53 -0.07 -0.09 0.00 0.00 0.00 179.25 179.21 3cma h ARG 111 N 1.09 -0.19 -0.41 0.00 2.43 0.16 -1.82 114.38 115.64 3cma h ARG 111 Ca 0.27 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.51 3cma h ARG 111 Cb 0.05 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 3cma h ARG 111 CO -0.04 0.02 0.13 -0.07 -1.51 0.00 0.00 179.97 178.49 3cma h LEU 112 N -0.37 0.11 -0.07 3.80 3.38 0.26 -2.57 115.31 119.85 3cma h LEU 112 Ca -0.02 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3cma h LEU 112 Cb 0.29 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3cma h LEU 112 CO 0.03 0.10 0.00 -0.62 0.09 0.00 0.00 178.44 178.04 3cma n GLU 113 N -5.04 0.04 -1.55 1.13 1.02 -0.12 -4.81 120.64 111.32 3cma n GLU 113 Ca 0.03 0.17 -0.29 0.00 -0.02 0.00 0.00 57.16 57.05 3cma n GLU 113 Cb 0.16 -1.56 0.13 0.00 -0.02 0.00 0.00 31.44 30.16 3cma n GLU 113 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3cma s SER 114 N -3.24 3.54 -0.03 1.62 1.04 -0.69 -5.01 113.70 110.93 3cma s SER 114 Ca 0.10 0.96 0.03 0.00 0.48 0.00 0.00 55.95 57.52 3cma s SER 114 Cb 0.13 -1.53 -0.05 0.00 0.10 0.00 0.00 66.02 64.67 3cma s SER 114 CO 0.40 -2.53 0.03 -1.84 0.98 0.00 0.00 173.24 170.28 3cma n GLU 115 N -3.75 2.63 0.17 4.02 -0.00 -1.26 -4.58 120.64 117.86 3cma n GLU 115 Ca 0.07 -0.01 0.12 0.00 -0.00 0.00 0.00 57.16 57.34 3cma n GLU 115 Cb 0.59 -1.10 0.23 0.00 -0.00 0.00 0.00 31.44 31.16 3cma n GLU 115 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3cma h ASP 116 N 0.00 0.00 -0.46 -1.84 3.32 -1.95 -3.46 116.42 112.04 3cma h ASP 116 Ca -0.08 -0.01 -0.64 0.00 0.02 0.00 0.00 57.03 56.32 3cma h ASP 116 Cb 0.99 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.44 3cma h ASP 116 CO 0.00 0.01 -0.43 -0.62 -1.72 0.00 0.00 179.24 176.48 3cma s ASP 117 N -5.53 4.33 0.15 6.45 -1.08 -1.26 -5.16 116.67 114.57 3cma s ASP 117 Ca 0.07 -1.49 -0.07 0.00 -0.52 0.00 0.00 52.55 50.55 3cma s ASP 117 Cb 0.08 0.47 -0.02 0.00 -1.46 0.00 0.00 42.92 41.99 3cma s ASP 117 CO 0.66 -0.95 0.23 -0.94 0.52 0.00 0.00 175.17 174.69 3cma s SER 118 N -4.04 0.11 0.00 -0.34 1.04 -1.26 -4.78 113.70 104.42 3cma s SER 118 Ca 0.17 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.67 3cma s SER 118 Cb 0.00 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3cma s SER 118 CO 0.10 -0.85 0.06 0.00 0.98 0.00 0.00 173.24 173.54