#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cma s LYS 2 N 0.00 4.10 -0.24 4.33 -0.14 -1.26 -5.01 119.74 121.51 3cma s LYS 2 Ca 0.00 1.04 -0.06 0.00 -1.36 0.00 0.00 55.97 55.59 3cma s LYS 2 Cb 0.00 -2.16 -0.13 0.00 -1.68 0.00 0.00 37.83 33.86 3cma s LYS 2 CO 0.00 -0.14 -0.27 2.41 -0.76 0.00 0.00 175.35 176.59 3cma n THR 3 N -1.08 1.36 -1.76 2.17 -1.04 -1.26 -4.93 114.28 107.73 3cma n THR 3 Ca 0.07 -0.42 -0.43 0.00 -2.04 0.00 0.00 64.05 61.23 3cma n THR 3 Cb 0.54 -1.61 -0.03 0.00 -1.82 0.00 0.00 70.33 67.41 3cma n THR 3 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3cma s ASN 4 N -6.81 5.67 0.36 8.00 3.84 -1.26 -4.88 114.94 119.86 3cma s ASN 4 Ca -0.33 1.70 0.11 0.00 0.21 0.00 0.00 52.86 54.55 3cma s ASN 4 Cb 0.11 -2.52 0.89 0.00 -0.55 0.00 0.00 41.25 39.19 3cma s ASN 4 CO 0.48 -1.82 1.82 -0.65 -2.79 0.00 0.00 177.10 174.14 3cma h PRO 5 N 14.02 0.59 -0.12 0.43 0.11 -2.00 -1.68 132.00 143.36 3cma h PRO 5 Ca -0.38 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 3cma h PRO 5 Cb 1.21 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3cma h PRO 5 CO 0.99 0.39 -0.00 0.00 -0.21 0.00 0.00 178.00 179.16 3cma h ARG 6 N 0.61 0.21 -0.21 1.05 3.08 -1.99 -1.70 114.38 115.43 3cma h ARG 6 Ca 0.52 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.56 3cma h ARG 6 Cb 1.00 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 3cma h ARG 6 CO -0.27 0.46 0.15 1.25 -1.07 0.00 0.00 179.97 180.50 3cma h LEU 7 N -0.07 0.00 -0.12 3.04 5.85 -1.72 0.24 115.31 122.53 3cma h LEU 7 Ca 0.03 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 3cma h LEU 7 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3cma h LEU 7 CO 0.01 0.00 -0.31 0.28 -0.34 0.00 0.00 178.44 178.08 3cma h SER 8 N 0.00 0.48 -0.02 1.25 0.02 -1.04 -2.27 113.55 111.97 3cma h SER 8 Ca 0.10 -0.59 -0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3cma h SER 8 Cb 0.40 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 3cma h SER 8 CO -0.00 0.98 0.00 0.28 -1.14 0.00 0.00 176.83 176.95 3cma h SER 9 N -0.00 0.02 -0.63 3.07 0.02 -0.29 -0.40 113.55 115.33 3cma h SER 9 Ca -0.00 -0.21 0.13 0.00 -0.84 0.00 0.00 61.79 60.87 3cma h SER 9 Cb 0.92 -0.01 -0.12 0.00 0.14 0.00 0.00 62.40 63.33 3cma h SER 9 CO 0.07 0.22 -0.13 0.25 -1.14 0.00 0.00 176.83 176.10 3cma h LEU 10 N -0.18 -0.54 -0.65 5.07 5.85 -0.61 0.81 115.31 125.07 3cma h LEU 10 Ca 0.01 0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 3cma h LEU 10 Cb 0.21 0.37 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 3cma h LEU 10 CO -0.00 -0.20 0.21 0.40 -0.34 0.00 0.00 178.44 178.51 3cma h ILE 11 N 0.02 1.25 0.29 4.05 2.04 -1.19 0.18 117.51 124.14 3cma h ILE 11 Ca 0.31 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 3cma h ILE 11 Cb 0.48 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3cma h ILE 11 CO -0.63 0.32 -0.15 0.00 0.00 0.00 0.00 178.15 177.69 3cma h ALA 12 N 1.08 -0.40 -0.35 1.87 0.00 0.10 -1.34 119.26 120.22 3cma h ALA 12 Ca 0.21 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3cma h ALA 12 Cb 0.28 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3cma h ALA 12 CO -0.01 -0.73 0.15 -0.44 0.00 0.00 0.00 179.25 178.22 3cma h ASP 13 N -0.41 0.20 -0.91 0.00 3.32 0.71 -1.46 116.42 117.88 3cma h ASP 13 Ca -0.04 0.03 0.16 0.00 0.02 0.00 0.00 57.03 57.20 3cma h ASP 13 Cb 0.32 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.79 3cma h ASP 13 CO 0.05 0.15 0.58 -0.07 -1.72 0.00 0.00 179.24 178.24 3cma h LEU 14 N 0.32 0.62 -0.14 1.55 3.38 -0.38 -1.42 115.31 119.25 3cma h LEU 14 Ca 0.15 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 3cma h LEU 14 Cb 0.09 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3cma h LEU 14 CO -0.13 0.29 -0.07 0.11 0.09 0.00 0.00 178.44 178.74 3cma h LYS 15 N 0.65 0.29 -0.63 1.13 1.57 -0.23 -1.73 116.57 117.62 3cma h LYS 15 Ca 0.47 -0.13 0.08 0.00 -1.87 0.00 0.00 60.65 59.20 3cma h LYS 15 Cb 0.83 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.07 3cma h LYS 15 CO -0.22 0.62 0.29 1.03 -0.57 0.00 0.00 179.45 180.60 3cma h SER 16 N -0.06 0.37 -0.24 0.86 0.87 -0.59 -0.81 113.55 113.95 3cma h SER 16 Ca 0.03 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 3cma h SER 16 Cb 0.54 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 3cma h SER 16 CO 0.02 0.23 0.11 0.00 -0.53 0.00 0.00 176.83 176.66 3cma h ALA 17 N 1.38 0.31 -0.19 6.23 0.00 -1.28 0.26 119.26 125.98 3cma h ALA 17 Ca 0.30 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3cma h ALA 17 Cb 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3cma h ALA 17 CO -0.25 -0.11 0.13 0.00 0.00 0.00 0.00 179.25 179.02 3cma h ALA 18 N 0.96 2.04 0.00 0.00 0.00 -0.58 0.67 119.26 122.35 3cma h ALA 18 Ca 0.08 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 3cma h ALA 18 Cb 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3cma h ALA 18 CO -0.01 -0.08 -0.96 0.00 0.00 0.00 0.00 179.25 178.20 3cma h ARG 19 N 0.11 0.00 0.31 0.00 3.08 -0.79 -3.38 114.38 113.71 3cma h ARG 19 Ca 0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3cma h ARG 19 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3cma h ARG 19 CO -0.01 0.99 -0.15 0.77 -1.07 0.00 0.00 179.97 180.50 3cma h SER 20 N -1.00 -0.35 -3.87 7.04 0.02 -0.40 -3.45 113.55 111.53 3cma h SER 20 Ca -0.26 -0.18 -0.46 0.00 -0.84 0.00 0.00 61.79 60.05 3cma h SER 20 Cb 1.22 0.09 0.11 0.00 0.14 0.00 0.00 62.40 63.96 3cma h SER 20 CO -0.16 0.11 0.32 -0.44 -1.14 0.00 0.00 176.83 175.52 3cma s SER 21 N -5.15 4.15 0.00 3.07 0.01 0.22 -4.92 113.70 111.08 3cma s SER 21 Ca -0.12 0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.52 3cma s SER 21 Cb 0.01 -0.77 0.00 0.00 0.21 0.00 0.00 66.02 65.47 3cma s SER 21 CO 0.42 -2.06 0.55 0.61 0.41 0.00 0.00 173.24 173.17 3cma n GLY 22 N -3.27 0.98 3.70 3.44 0.00 -1.26 -4.58 105.19 104.20 3cma n GLY 22 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3cma n GLY 22 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cma s GLY 23 N -0.24 1.79 -0.01 -0.02 0.00 -1.18 -4.85 107.32 102.81 3cma s GLY 23 Ca 0.00 1.05 0.09 0.00 0.00 0.00 0.00 44.72 45.86 3cma s GLY 23 CO 0.00 2.58 0.22 0.00 0.00 0.00 0.00 173.10 175.90 3cma n ALA 24 N 5.04 2.42 -0.00 3.20 0.00 -1.26 -4.21 120.51 125.71 3cma n ALA 24 Ca 0.13 -0.22 -0.17 0.00 0.00 0.00 0.00 53.44 53.18 3cma n ALA 24 Cb 0.42 -0.32 -0.13 0.00 0.00 0.00 0.00 19.45 19.43 3cma n ALA 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3cma h VAL 25 N 0.00 1.57 -0.65 0.00 -1.51 -1.90 -2.70 116.25 111.07 3cma h VAL 25 Ca 0.00 -2.26 0.11 0.00 -1.23 0.00 0.00 66.70 63.32 3cma h VAL 25 Cb 0.40 3.02 -0.08 0.00 -2.13 0.00 0.00 31.29 32.50 3cma h VAL 25 CO 0.00 0.63 0.22 -0.50 -1.23 0.00 0.00 177.57 176.69 3cma h TRP 26 N -0.49 0.38 0.00 5.19 -0.00 -1.87 1.15 115.95 120.31 3cma h TRP 26 Ca -0.07 0.03 -0.07 0.00 -0.00 0.00 0.00 58.89 58.78 3cma h TRP 26 Cb 1.28 -0.07 -0.01 0.00 -0.00 0.00 0.00 29.16 30.36 3cma h TRP 26 CO 0.20 0.06 -0.33 0.78 -0.00 0.00 0.00 178.44 179.15 3cma h GLY 27 N 0.38 0.00 0.52 1.49 0.00 -1.71 0.15 103.07 103.90 3cma h GLY 27 Ca 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 3cma h GLY 27 CO -0.36 0.00 -0.25 -1.80 0.00 0.00 0.00 176.54 174.13 3cma h ASP 28 N 0.00 -0.59 -1.01 0.19 3.58 -0.02 -2.20 116.42 116.36 3cma h ASP 28 Ca -0.00 0.02 0.24 0.00 0.42 0.00 0.00 57.03 57.71 3cma h ASP 28 Cb 0.61 0.15 -0.12 0.00 1.72 0.00 0.00 39.33 41.69 3cma h ASP 28 CO 0.04 -0.19 0.61 0.58 -2.88 0.00 0.00 179.24 177.40 3cma h VAL 29 N -1.18 0.56 -0.77 2.25 2.07 0.13 0.24 116.25 119.56 3cma h VAL 29 Ca -0.07 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 3cma h VAL 29 Cb 0.54 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 3cma h VAL 29 CO 0.12 0.11 0.30 0.00 0.02 0.00 0.00 177.57 178.11 3cma h ALA 30 N 1.71 1.00 -0.17 1.67 0.00 -0.66 -0.95 119.26 121.85 3cma h ALA 30 Ca 0.63 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.29 3cma h ALA 30 Cb 1.21 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3cma h ALA 30 CO -0.44 0.63 -0.14 0.93 0.00 0.00 0.00 179.25 180.23 3cma h GLU 31 N 1.11 0.28 0.12 0.00 5.08 0.12 -1.71 114.58 119.58 3cma h GLU 31 Ca 0.25 -0.07 -0.26 0.00 -1.00 0.00 0.00 59.36 58.28 3cma h GLU 31 Cb 0.23 -0.04 0.03 0.00 0.50 0.00 0.00 28.75 29.47 3cma h GLU 31 CO -0.02 0.42 -1.11 -0.09 -1.00 0.00 0.00 179.01 177.22 3cma h ARG 32 N 0.26 0.54 0.00 2.33 9.65 -0.97 -3.15 114.38 123.04 3cma h ARG 32 Ca 0.05 -0.74 -0.02 0.00 -1.10 0.00 0.00 59.98 58.17 3cma h ARG 32 Cb 0.41 0.25 -0.00 0.00 -1.39 0.00 0.00 29.97 29.23 3cma h ARG 32 CO 0.02 1.33 -0.11 -0.07 2.80 0.00 0.00 179.97 183.94 3cma h LEU 33 N 0.10 0.00 -0.76 3.80 3.38 -1.02 0.25 115.31 121.06 3cma h LEU 33 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3cma h LEU 33 Cb 1.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.56 3cma h LEU 33 CO 0.21 0.11 0.00 -0.33 0.09 0.00 0.00 178.44 178.52 3cma h GLU 34 N 0.00 0.00 -7.45 1.13 5.08 -1.27 -3.44 114.58 108.62 3cma h GLU 34 Ca -0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 3cma h GLU 34 Cb 0.29 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.62 3cma h GLU 34 CO 0.01 0.00 0.40 0.15 -1.00 0.00 0.00 179.01 178.57 3cma s LYS 35 N -3.39 2.73 0.34 2.33 1.02 0.87 -4.99 119.74 118.65 3cma s LYS 35 Ca 0.05 0.53 -0.27 0.00 0.02 0.00 0.00 55.97 56.29 3cma s LYS 35 Cb 0.09 -2.00 -0.13 0.00 -0.52 0.00 0.00 37.83 35.27 3cma s LYS 35 CO 0.51 -1.14 1.07 -2.30 -0.92 0.00 0.00 175.35 172.56 3cma n PRO 36 N -3.09 1.53 -0.30 -1.68 -0.02 -1.26 -4.86 135.00 125.31 3cma n PRO 36 Ca 0.07 0.54 0.22 0.00 -2.02 0.00 0.00 63.50 62.31 3cma n PRO 36 Cb 0.57 -2.01 0.52 0.00 -0.02 0.00 0.00 33.50 32.56 3cma n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cma h ARG 37 N 1.99 0.38 0.00 -0.52 3.08 -1.93 0.23 114.38 117.60 3cma h ARG 37 Ca -0.42 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3cma h ARG 37 Cb 1.33 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3cma h ARG 37 CO 0.60 0.25 0.00 0.07 -1.07 0.00 0.00 179.97 179.82 3cma h ARG 38 N 0.39 0.00 -0.07 0.04 0.11 -2.01 0.02 114.38 112.85 3cma h ARG 38 Ca 0.56 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.64 3cma h ARG 38 Cb 1.43 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.51 3cma h ARG 38 CO -0.25 0.00 0.00 0.25 0.10 0.00 0.00 179.97 180.07 3cma n THR 39 N -2.33 0.06 -2.36 0.08 -2.24 0.81 -4.95 114.28 103.35 3cma n THR 39 Ca 0.00 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 60.96 3cma n THR 39 Cb 0.13 1.31 -0.03 0.00 -2.10 0.00 0.00 70.33 69.64 3cma n THR 39 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3cma s HIS 40 N -1.94 3.39 0.30 4.78 3.76 -0.01 -5.01 115.29 120.56 3cma s HIS 40 Ca 0.30 1.48 -0.29 0.00 -0.15 0.00 0.00 55.06 56.40 3cma s HIS 40 Cb 0.20 -2.82 -0.10 0.00 1.11 0.00 0.00 32.58 30.97 3cma s HIS 40 CO 0.31 -0.46 1.18 0.00 -0.85 0.00 0.00 174.74 174.91 3cma s ALA 41 N -2.59 3.44 -0.35 -1.40 0.00 -1.15 -4.93 121.76 114.79 3cma s ALA 41 Ca 0.60 1.03 -0.01 0.00 0.00 0.00 0.00 51.96 53.58 3cma s ALA 41 Cb -0.11 -3.38 0.12 0.00 0.00 0.00 0.00 23.12 19.75 3cma s ALA 41 CO 0.32 -0.34 0.18 -1.21 0.00 0.00 0.00 175.76 174.70 3cma s GLU 42 N -1.55 0.65 -0.06 0.00 2.02 -1.25 0.13 118.70 118.65 3cma s GLU 42 Ca 0.46 -1.25 0.04 0.00 0.02 0.00 0.00 54.97 54.25 3cma s GLU 42 Cb -0.35 -1.61 -0.02 0.00 0.10 0.00 0.00 34.13 32.25 3cma s GLU 42 CO 0.45 -1.12 -0.18 0.08 0.02 0.00 0.00 175.26 174.51 3cma s VAL 43 N 1.25 2.69 0.25 2.63 1.01 -0.61 -4.93 120.40 122.69 3cma s VAL 43 Ca 0.14 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 3cma s VAL 43 Cb -0.21 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 3cma s VAL 43 CO -0.12 0.58 0.47 0.20 0.00 0.00 0.00 175.10 176.23 3cma s ASN 44 N -0.45 6.41 0.41 3.32 0.01 -1.26 0.17 114.94 123.56 3cma s ASN 44 Ca 0.05 0.55 0.19 0.00 -0.71 0.00 0.00 52.86 52.94 3cma s ASN 44 Cb -0.12 -2.07 1.12 0.00 0.41 0.00 0.00 41.25 40.59 3cma s ASN 44 CO 0.02 -0.12 1.80 -0.07 -1.51 0.00 0.00 177.10 177.21 3cma h LEU 45 N 1.81 0.41 -2.17 0.60 3.38 -0.56 -0.31 115.31 118.47 3cma h LEU 45 Ca -0.48 0.07 0.06 0.00 0.09 0.00 0.00 57.88 57.62 3cma h LEU 45 Cb 1.19 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3cma h LEU 45 CO 0.67 0.11 0.26 1.23 0.09 0.00 0.00 178.44 180.80 3cma h GLY 46 N 0.38 0.00 1.12 0.83 0.00 -1.73 0.48 103.07 104.15 3cma h GLY 46 Ca 0.56 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.60 3cma h GLY 46 CO -0.24 0.00 -1.61 -0.09 0.00 0.00 0.00 176.54 174.60 3cma h ARG 47 N 0.00 0.05 -0.01 4.80 2.43 -1.37 -3.13 114.38 117.14 3cma h ARG 47 Ca 0.11 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3cma h ARG 47 Cb 0.63 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3cma h ARG 47 CO -0.00 0.70 -0.01 0.82 -1.51 0.00 0.00 179.97 179.97 3cma h ILE 48 N 0.01 1.37 -0.20 1.20 2.04 -1.25 -2.53 117.51 118.16 3cma h ILE 48 Ca -0.25 -1.10 0.06 0.00 1.00 0.00 0.00 64.86 64.56 3cma h ILE 48 Cb 1.98 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 40.15 3cma h ILE 48 CO 0.10 0.29 0.27 -0.08 0.00 0.00 0.00 178.15 178.73 3cma h GLU 49 N -0.43 0.00 0.01 2.37 4.57 -1.09 0.02 114.58 120.03 3cma h GLU 49 Ca 0.00 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.91 3cma h GLU 49 Cb 0.48 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.03 3cma h GLU 49 CO 0.00 0.00 -1.48 -0.09 -1.18 0.00 0.00 179.01 176.26 3cma h ARG 50 N 0.00 0.02 0.00 1.92 2.43 -1.40 -3.40 114.38 113.95 3cma h ARG 50 Ca 0.09 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3cma h ARG 50 Cb 0.64 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 3cma h ARG 50 CO -0.00 0.70 -0.02 0.66 -1.51 0.00 0.00 179.97 179.80 3cma n TYR 51 N -3.17 0.00 -3.93 2.20 0.53 -0.96 -5.04 117.16 106.80 3cma n TYR 51 Ca -0.12 -0.40 -0.33 0.00 -1.02 0.00 0.00 57.90 56.03 3cma n TYR 51 Cb 1.02 -0.05 -0.05 0.00 -1.03 0.00 0.00 39.34 39.23 3cma n TYR 51 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3cma s ALA 52 N -0.88 3.93 0.08 -0.72 0.00 -0.05 -5.06 121.76 119.06 3cma s ALA 52 Ca 0.03 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.24 3cma s ALA 52 Cb 0.02 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 3cma s ALA 52 CO 0.00 0.76 -0.12 1.14 0.00 0.00 0.00 175.76 177.54 3cma s GLN 53 N -2.01 0.81 0.79 0.00 -2.07 -1.26 -4.92 119.66 111.00 3cma s GLN 53 Ca 0.28 -1.04 -0.13 0.00 -1.82 0.00 0.00 55.36 52.66 3cma s GLN 53 Cb -0.13 -0.65 0.07 0.00 -1.09 0.00 0.00 33.01 31.22 3cma s GLN 53 CO 0.20 0.12 1.16 -1.21 -1.32 0.00 0.00 175.29 174.25 3cma s GLU 54 N -2.22 1.85 -1.37 9.60 2.02 -1.26 -3.17 118.70 124.15 3cma s GLU 54 Ca 0.01 1.58 -0.02 0.00 0.02 0.00 0.00 54.97 56.57 3cma s GLU 54 Cb -0.07 -1.82 0.01 0.00 0.10 0.00 0.00 34.13 32.35 3cma s GLU 54 CO 0.01 -2.02 0.13 -0.25 0.02 0.00 0.00 175.26 173.16 3cma n ASP 55 N -3.29 -4.81 -3.50 -0.19 8.00 -1.26 -4.93 116.55 106.57 3cma n ASP 55 Ca 0.12 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.41 3cma n ASP 55 Cb 0.51 -4.01 -0.13 0.00 -0.02 0.00 0.00 41.12 37.47 3cma n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3cma s GLU 56 N -5.23 0.20 0.26 -1.24 2.12 -1.19 -4.97 118.70 108.66 3cma s GLU 56 Ca 0.08 -0.09 -0.31 0.00 0.36 0.00 0.00 54.97 55.01 3cma s GLU 56 Cb -0.04 -1.17 -0.12 0.00 0.26 0.00 0.00 34.13 33.06 3cma s GLU 56 CO 0.10 -0.83 1.65 0.99 -0.54 0.00 0.00 175.26 176.63 3cma s THR 57 N 2.25 2.03 -0.21 -1.70 2.01 -0.72 -4.63 115.64 114.68 3cma s THR 57 Ca 0.07 0.02 -0.17 0.00 0.31 0.00 0.00 61.69 61.92 3cma s THR 57 Cb -0.15 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.31 3cma s THR 57 CO -0.22 0.00 0.47 -0.69 -0.69 0.00 0.00 174.62 173.49 3cma s VAL 58 N 0.44 5.14 -0.20 3.82 1.01 -0.88 0.36 120.40 130.08 3cma s VAL 58 Ca 0.68 0.84 -0.03 0.00 0.00 0.00 0.00 61.98 63.47 3cma s VAL 58 Cb -0.49 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 3cma s VAL 58 CO 0.42 0.19 -0.06 -0.69 0.00 0.00 0.00 175.10 174.97 3cma s VAL 59 N 1.62 3.35 -0.32 2.92 1.01 0.13 0.68 120.40 129.80 3cma s VAL 59 Ca 0.22 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 3cma s VAL 59 Cb -0.15 -2.50 0.05 0.00 0.00 0.00 0.00 36.38 33.78 3cma s VAL 59 CO 0.09 0.44 0.04 -0.69 0.00 0.00 0.00 175.10 174.98 3cma s VAL 60 N 1.23 3.17 -0.12 2.92 1.01 -0.76 -1.53 120.40 126.32 3cma s VAL 60 Ca 0.03 -1.38 -0.04 0.00 0.00 0.00 0.00 61.98 60.59 3cma s VAL 60 Cb -0.14 -2.84 -0.17 0.00 0.00 0.00 0.00 36.38 33.23 3cma s VAL 60 CO -0.02 -0.16 2.56 -0.81 0.00 0.00 0.00 175.10 176.67 3cma n PRO 61 N 4.66 1.46 0.00 2.72 -0.04 -1.26 -3.62 135.00 138.92 3cma n PRO 61 Ca -0.12 -0.77 0.00 0.00 -0.04 0.00 0.00 63.50 62.56 3cma n PRO 61 Cb 0.43 -1.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 3cma n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cma n GLY 62 N 2.78 1.63 3.22 0.55 0.00 -1.26 -2.92 105.19 109.19 3cma n GLY 62 Ca 0.31 0.12 -0.25 0.00 0.00 0.00 0.00 46.02 46.21 3cma n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cma s LYS 63 N 4.46 1.38 -0.18 1.61 2.20 0.12 -0.40 119.74 128.92 3cma s LYS 63 Ca 0.00 -0.85 -0.09 0.00 -0.36 0.00 0.00 55.97 54.67 3cma s LYS 63 Cb 0.00 -1.43 -0.05 0.00 -1.51 0.00 0.00 37.83 34.84 3cma s LYS 63 CO 0.00 0.37 0.13 0.08 -0.36 0.00 0.00 175.35 175.57 3cma s VAL 64 N -0.70 5.42 0.16 4.02 1.01 -0.46 -1.57 120.40 128.27 3cma s VAL 64 Ca 0.07 0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.31 3cma s VAL 64 Cb -0.08 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 3cma s VAL 64 CO 0.01 0.47 -0.03 -0.76 0.00 0.00 0.00 175.10 174.80 3cma s LEU 65 N 0.10 3.24 0.00 3.92 1.43 0.46 -1.71 118.68 126.12 3cma s LEU 65 Ca 0.09 -0.39 0.21 0.00 -1.03 0.00 0.00 54.13 53.00 3cma s LEU 65 Cb -0.11 -1.93 1.23 0.00 0.03 0.00 0.00 46.19 45.41 3cma s LEU 65 CO -0.01 0.11 1.62 0.61 0.23 0.00 0.00 176.35 178.91 3cma n GLY 66 N 0.09 -0.65 3.76 -3.19 0.00 -1.26 -2.00 105.19 101.94 3cma n GLY 66 Ca -0.10 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 3cma n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cma s SER 67 N -2.01 5.74 0.00 1.61 0.01 -1.26 -4.69 113.70 113.09 3cma s SER 67 Ca 0.31 2.41 0.00 0.00 1.31 0.00 0.00 55.95 59.98 3cma s SER 67 Cb 0.14 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.76 3cma s SER 67 CO 0.24 -1.22 0.00 0.61 0.41 0.00 0.00 173.24 173.28 3cma n GLY 68 N 0.49 -0.87 3.35 3.44 0.00 -1.26 -1.29 105.19 109.06 3cma n GLY 68 Ca 0.10 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.11 3cma n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cma s VAL 69 N -1.04 2.87 -0.27 1.61 1.01 -1.26 -4.64 120.40 118.68 3cma s VAL 69 Ca 0.00 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 3cma s VAL 69 Cb 0.00 -2.19 0.04 0.00 0.00 0.00 0.00 36.38 34.24 3cma s VAL 69 CO 0.00 0.53 -0.06 -0.22 0.00 0.00 0.00 175.10 175.36 3cma s LEU 70 N 0.27 3.45 -0.12 3.92 2.96 -1.26 -4.50 118.68 123.40 3cma s LEU 70 Ca -0.11 -1.13 0.13 0.00 -0.22 0.00 0.00 54.13 52.81 3cma s LEU 70 Cb -0.16 -1.64 -0.19 0.00 0.50 0.00 0.00 46.19 44.69 3cma s LEU 70 CO 0.06 -0.18 0.11 0.00 -1.32 0.00 0.00 176.35 175.02 3cma n GLN 71 N 4.59 1.39 -1.20 1.98 6.02 -1.26 -4.79 117.38 124.12 3cma n GLN 71 Ca -0.15 -0.04 -0.34 0.00 -0.01 0.00 0.00 57.00 56.46 3cma n GLN 71 Cb 0.45 -1.37 0.11 0.00 1.02 0.00 0.00 30.24 30.45 3cma n GLN 71 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3cma n LYS 72 N -2.44 0.30 -3.32 -1.09 5.02 -1.26 -4.92 118.16 110.46 3cma n LYS 72 Ca -0.19 0.17 -0.44 0.00 -2.02 0.00 0.00 58.31 55.83 3cma n LYS 72 Cb 0.86 -2.34 -0.00 0.00 -0.02 0.00 0.00 35.03 33.52 3cma n LYS 72 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3cma n ASP 73 N -2.58 5.54 -4.52 4.39 2.03 -1.26 -4.43 116.55 115.73 3cma n ASP 73 Ca 0.13 -3.11 -0.24 0.00 0.52 0.00 0.00 54.79 52.09 3cma n ASP 73 Cb 0.50 -1.33 -0.09 0.00 -0.72 0.00 0.00 41.12 39.48 3cma n ASP 73 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3cma s VAL 74 N -1.54 2.78 -0.45 5.18 -7.23 -1.26 -4.61 120.40 113.26 3cma s VAL 74 Ca 0.31 -2.17 -0.13 0.00 -1.81 0.00 0.00 61.98 58.18 3cma s VAL 74 Cb -0.07 -2.45 0.08 0.00 0.56 0.00 0.00 36.38 34.50 3cma s VAL 74 CO -0.06 -0.34 0.34 -0.89 -0.31 0.00 0.00 175.10 173.85 3cma s THR 75 N -2.29 4.77 -0.21 5.32 2.01 -1.26 -1.16 115.64 122.82 3cma s THR 75 Ca 0.29 -1.25 -0.19 0.00 0.31 0.00 0.00 61.69 60.84 3cma s THR 75 Cb -0.06 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 3cma s THR 75 CO 0.16 -0.57 0.57 -0.69 -0.69 0.00 0.00 174.62 173.40 3cma s VAL 76 N 1.54 5.06 -1.80 3.82 1.01 0.78 -2.08 120.40 128.73 3cma s VAL 76 Ca 0.04 1.05 0.18 0.00 0.00 0.00 0.00 61.98 63.24 3cma s VAL 76 Cb -0.24 -3.89 0.39 0.00 0.00 0.00 0.00 36.38 32.64 3cma s VAL 76 CO 0.04 0.14 1.31 0.00 0.00 0.00 0.00 175.10 176.59 3cma n ALA 77 N 4.98 2.35 -1.00 5.51 0.00 0.21 -0.31 120.51 132.25 3cma n ALA 77 Ca -0.03 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.37 3cma n ALA 77 Cb 0.50 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.26 3cma n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cma n ALA 78 N 1.14 0.00 0.11 0.00 0.00 -1.26 -1.83 120.51 118.67 3cma n ALA 78 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.58 3cma n ALA 78 Cb 0.52 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.16 3cma n ALA 78 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3cma h VAL 79 N -1.29 1.36 -1.40 0.00 2.07 -0.79 -3.00 116.25 113.19 3cma h VAL 79 Ca 0.00 -1.76 0.13 0.00 0.82 0.00 0.00 66.70 65.90 3cma h VAL 79 Cb 0.00 1.88 -0.24 0.00 -1.52 0.00 0.00 31.29 31.41 3cma h VAL 79 CO 0.00 0.51 0.68 -0.62 0.02 0.00 0.00 177.57 178.17 3cma s ASP 80 N -6.88 -0.26 0.06 0.57 2.15 -1.16 -4.86 116.67 106.28 3cma s ASP 80 Ca -0.03 0.28 0.09 0.00 0.43 0.00 0.00 52.55 53.32 3cma s ASP 80 Cb 0.13 0.21 -0.03 0.00 -0.30 0.00 0.00 42.92 42.93 3cma s ASP 80 CO 0.77 -0.24 -0.26 -0.36 -0.17 0.00 0.00 175.17 174.91 3cma s PHE 81 N -1.10 2.34 0.86 -5.34 0.40 -1.26 -1.35 117.98 112.52 3cma s PHE 81 Ca 0.02 -0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 55.84 3cma s PHE 81 Cb -0.01 -1.37 0.11 0.00 0.51 0.00 0.00 43.02 42.26 3cma s PHE 81 CO -0.02 0.18 1.09 -1.54 0.70 0.00 0.00 175.22 175.64 3cma s SER 82 N -1.43 3.77 0.22 1.36 1.04 -0.69 -4.80 113.70 113.16 3cma s SER 82 Ca 0.12 1.60 -0.09 0.00 0.48 0.00 0.00 55.95 58.07 3cma s SER 82 Cb -0.10 -2.29 0.23 0.00 0.10 0.00 0.00 66.02 63.96 3cma s SER 82 CO 0.03 -2.47 1.85 1.23 0.98 0.00 0.00 173.24 174.86 3cma h GLY 83 N -1.43 1.08 0.35 7.32 0.00 -2.00 -2.38 103.07 106.02 3cma h GLY 83 Ca -0.48 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 46.49 3cma h GLY 83 CO 0.53 0.27 -0.17 -0.84 0.00 0.00 0.00 176.54 176.34 3cma h THR 84 N 0.88 0.00 -0.78 4.70 2.02 -1.96 -2.58 112.91 115.20 3cma h THR 84 Ca 0.31 -0.02 0.11 0.00 0.77 0.00 0.00 66.41 67.58 3cma h THR 84 Cb 0.06 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.35 3cma h THR 84 CO -0.13 0.00 -0.32 0.00 0.37 0.00 0.00 175.52 175.44 3cma n ALA 85 N -2.25 -0.14 -0.17 6.16 0.00 -1.19 0.10 120.51 123.02 3cma n ALA 85 Ca -0.06 0.76 -0.02 0.00 0.00 0.00 0.00 53.44 54.12 3cma n ALA 85 Cb 0.19 -0.32 0.08 0.00 0.00 0.00 0.00 19.45 19.39 3cma n ALA 85 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3cma h GLU 86 N 0.00 0.27 0.17 0.00 4.81 -1.41 0.84 114.58 119.25 3cma h GLU 86 Ca 0.25 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 3cma h GLU 86 Cb 0.45 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3cma h GLU 86 CO -0.77 0.18 -0.08 1.15 -0.73 0.00 0.00 179.01 178.76 3cma h THR 87 N 0.27 0.00 -1.00 0.32 2.02 0.11 -0.42 112.91 114.21 3cma h THR 87 Ca 0.26 -0.01 0.40 0.00 0.77 0.00 0.00 66.41 67.83 3cma h THR 87 Cb 0.35 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.58 3cma h THR 87 CO -0.32 0.00 0.54 0.11 0.37 0.00 0.00 175.52 176.21 3cma h LYS 88 N -0.24 0.05 0.15 6.66 1.57 -0.88 -0.11 116.57 123.77 3cma h LYS 88 Ca -0.02 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3cma h LYS 88 Cb 0.17 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3cma h LYS 88 CO 0.04 0.03 -0.07 0.82 -0.57 0.00 0.00 179.45 179.70 3cma h ILE 89 N 0.05 0.99 -0.05 1.86 2.04 -0.69 -3.16 117.51 118.55 3cma h ILE 89 Ca 0.83 -0.97 0.01 0.00 1.00 0.00 0.00 64.86 65.73 3cma h ILE 89 Cb 2.14 1.55 -0.00 0.00 -0.74 0.00 0.00 36.82 39.76 3cma h ILE 89 CO -0.75 0.21 0.20 0.44 0.00 0.00 0.00 178.15 178.26 3cma h ASP 90 N -0.70 0.00 0.66 1.72 3.32 0.72 0.40 116.42 122.54 3cma h ASP 90 Ca -0.02 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3cma h ASP 90 Cb 0.51 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.06 3cma h ASP 90 CO 0.03 0.00 -0.32 1.56 -1.72 0.00 0.00 179.24 178.80 3cma h GLN 91 N 0.00 -0.86 -0.00 3.56 4.20 -1.34 -3.33 115.11 117.34 3cma h GLN 91 Ca 0.02 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3cma h GLN 91 Cb 0.42 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.39 3cma h GLN 91 CO -0.00 -0.54 -0.84 1.33 -0.67 0.00 0.00 178.83 178.12 3cma n VAL 92 N -5.42 0.00 0.00 -0.54 0.24 -0.99 -5.01 118.33 106.61 3cma n VAL 92 Ca -0.13 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 3cma n VAL 92 Cb 0.37 0.88 0.00 0.00 -1.47 0.00 0.00 33.84 33.62 3cma n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3cma n GLY 93 N 1.49 4.01 3.38 7.63 0.00 0.14 -4.03 105.19 117.81 3cma n GLY 93 Ca 0.05 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 3cma n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cma s GLU 94 N 4.08 0.45 -0.15 1.61 2.12 -0.31 -4.34 118.70 122.15 3cma s GLU 94 Ca 0.00 1.02 -0.14 0.00 0.36 0.00 0.00 54.97 56.21 3cma s GLU 94 Cb 0.00 0.22 -0.05 0.00 0.26 0.00 0.00 34.13 34.56 3cma s GLU 94 CO 0.00 -0.19 0.31 0.00 -0.54 0.00 0.00 175.26 174.84 3cma s ALA 95 N 1.99 3.59 0.03 6.30 0.00 -1.26 -0.16 121.76 132.25 3cma s ALA 95 Ca -0.07 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.46 3cma s ALA 95 Cb -0.09 -2.40 -0.03 0.00 0.00 0.00 0.00 23.12 20.60 3cma s ALA 95 CO -0.15 0.10 -0.04 0.08 0.00 0.00 0.00 175.76 175.75 3cma s VAL 96 N 0.44 0.25 0.22 0.00 1.01 0.57 -4.95 120.40 117.93 3cma s VAL 96 Ca 0.17 -1.17 -0.24 0.00 0.00 0.00 0.00 61.98 60.74 3cma s VAL 96 Cb -0.13 -0.64 -0.08 0.00 0.00 0.00 0.00 36.38 35.52 3cma s VAL 96 CO 0.04 -0.59 0.81 -0.94 0.00 0.00 0.00 175.10 174.42 3cma s SER 97 N -1.84 7.31 0.65 3.32 1.04 -1.26 -4.06 113.70 118.85 3cma s SER 97 Ca -0.09 1.65 0.26 0.00 0.48 0.00 0.00 55.95 58.25 3cma s SER 97 Cb -0.06 -2.50 1.41 0.00 0.10 0.00 0.00 66.02 64.97 3cma s SER 97 CO -0.03 0.10 1.80 -0.07 0.98 0.00 0.00 173.24 176.03 3cma h LEU 98 N 3.84 0.00 -0.16 2.42 4.07 -1.85 0.27 115.31 123.90 3cma h LEU 98 Ca -0.47 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.26 3cma h LEU 98 Cb 1.20 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.95 3cma h LEU 98 CO 0.66 0.00 -0.79 -0.33 -1.08 0.00 0.00 178.44 176.90 3cma h GLU 99 N 0.00 0.79 -0.07 1.13 3.07 -1.91 0.14 114.58 117.72 3cma h GLU 99 Ca 0.05 -0.65 -0.03 0.00 -0.50 0.00 0.00 59.36 58.23 3cma h GLU 99 Cb 0.95 0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.99 3cma h GLU 99 CO -0.00 1.25 -0.05 1.96 -1.40 0.00 0.00 179.01 180.77 3cma h GLN 100 N 0.53 0.17 -0.37 2.33 4.20 -0.90 -2.70 115.11 118.37 3cma h GLN 100 Ca -0.06 -0.08 0.07 0.00 0.06 0.00 0.00 58.65 58.65 3cma h GLN 100 Cb 1.42 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.13 3cma h GLN 100 CO 0.16 0.57 -0.10 0.00 -0.67 0.00 0.00 178.83 178.79 3cma h ALA 101 N 0.59 0.23 -0.88 3.87 0.00 -1.26 0.16 119.26 121.97 3cma h ALA 101 Ca 0.01 0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.20 3cma h ALA 101 Cb 0.53 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 3cma h ALA 101 CO 0.01 -0.47 0.57 0.82 0.00 0.00 0.00 179.25 180.19 3cma h ILE 102 N -0.01 0.85 0.12 0.00 2.04 -0.64 -0.67 117.51 119.20 3cma h ILE 102 Ca 0.18 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 3cma h ILE 102 Cb 0.28 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3cma h ILE 102 CO -0.39 0.13 -0.06 -0.08 0.00 0.00 0.00 178.15 177.75 3cma h GLU 103 N 0.70 -0.16 0.00 2.37 4.81 -0.66 -1.81 114.58 119.83 3cma h GLU 103 Ca 0.44 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.68 3cma h GLU 103 Cb 0.68 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3cma h GLU 103 CO -0.20 0.28 0.00 0.09 -0.73 0.00 0.00 179.01 178.46 3cma n ASN 104 N -4.86 0.00 -2.71 1.04 3.02 0.36 -3.80 115.26 108.31 3cma n ASN 104 Ca -0.07 -0.11 -0.07 0.00 -0.03 0.00 0.00 54.58 54.31 3cma n ASN 104 Cb 0.26 -0.10 0.10 0.00 -0.61 0.00 0.00 39.78 39.42 3cma n ASN 104 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3cma n ASN 105 N -1.10 -1.94 0.27 6.41 2.85 -0.28 -4.99 115.26 116.47 3cma n ASN 105 Ca 0.05 -2.96 0.13 0.00 -0.11 0.00 0.00 54.58 51.69 3cma n ASN 105 Cb 0.04 1.61 0.80 0.00 1.24 0.00 0.00 39.78 43.47 3cma n ASN 105 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3cma h PRO 106 N 2.77 0.00 0.00 1.20 0.13 -1.42 0.32 132.00 135.00 3cma h PRO 106 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3cma h PRO 106 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3cma h PRO 106 CO 0.08 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.24 3cma n GLU 107 N -4.12 0.10 -3.67 0.86 4.71 -1.26 -3.48 120.64 113.78 3cma n GLU 107 Ca -0.02 0.30 -0.29 0.00 -0.01 0.00 0.00 57.16 57.14 3cma n GLU 107 Cb 0.12 -1.68 0.03 0.00 -1.01 0.00 0.00 31.44 28.90 3cma n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3cma n GLY 108 N 0.22 -1.06 3.59 0.62 0.00 0.11 -3.08 105.19 105.59 3cma n GLY 108 Ca 0.03 0.47 -0.26 0.00 0.00 0.00 0.00 46.02 46.26 3cma n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cma s SER 109 N -3.34 4.33 -1.23 1.61 1.04 -1.26 -4.71 113.70 110.13 3cma s SER 109 Ca 0.35 -0.57 -0.03 0.00 0.48 0.00 0.00 55.95 56.18 3cma s SER 109 Cb -0.14 -0.76 -0.01 0.00 0.10 0.00 0.00 66.02 65.22 3cma s SER 109 CO 0.87 0.09 0.80 1.41 0.98 0.00 0.00 173.24 177.39 3cma n HIS 110 N -0.05 -2.04 -4.12 5.02 8.25 -1.26 -4.85 115.22 116.17 3cma n HIS 110 Ca -0.10 0.82 -0.15 0.00 -0.26 0.00 0.00 57.72 58.03 3cma n HIS 110 Cb 0.56 -4.41 -0.13 0.00 1.12 0.00 0.00 29.99 27.13 3cma n HIS 110 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3cma s VAL 111 N -3.55 0.48 -0.10 1.59 0.11 -1.26 -1.76 120.40 115.92 3cma s VAL 111 Ca 0.11 -0.62 0.02 0.00 -2.93 0.00 0.00 61.98 58.56 3cma s VAL 111 Cb -0.03 -0.48 -0.01 0.00 -1.53 0.00 0.00 36.38 34.33 3cma s VAL 111 CO 0.79 -0.11 -0.16 -0.60 -3.33 0.00 0.00 175.10 171.69 3cma s ARG 112 N -0.80 3.11 -0.12 1.54 6.06 0.16 -4.92 118.95 123.97 3cma s ARG 112 Ca -0.03 -0.74 -0.20 0.00 -2.50 0.00 0.00 55.73 52.26 3cma s ARG 112 Cb -0.06 -2.49 -0.04 0.00 0.06 0.00 0.00 34.95 32.43 3cma s ARG 112 CO 0.00 0.29 0.56 0.08 -2.50 0.00 0.00 175.30 173.73 3cma s VAL 113 N 0.12 5.12 -0.07 7.11 1.01 -1.26 0.19 120.40 132.63 3cma s VAL 113 Ca -0.08 1.11 0.02 0.00 0.00 0.00 0.00 61.98 63.03 3cma s VAL 113 Cb -0.15 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.35 3cma s VAL 113 CO 0.05 0.26 -0.13 -0.63 0.00 0.00 0.00 175.10 174.66 3cma s ILE 114 N 0.95 1.19 0.00 2.22 -1.09 -0.58 -4.94 121.20 118.94 3cma s ILE 114 Ca 0.29 -0.50 0.00 0.00 -2.23 0.00 0.00 60.65 58.21 3cma s ILE 114 Cb -0.16 -1.09 0.00 0.00 -1.58 0.00 0.00 42.46 39.64 3cma s ILE 114 CO 0.12 0.37 0.16 -2.11 -1.23 0.00 0.00 174.94 172.25