#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c7f s LYS 3 N 0.00 3.76 0.02 0.54 1.02 -1.26 -1.07 119.74 122.75 1c7f s LYS 3 Ca 0.00 -0.46 0.08 0.00 0.02 0.00 0.00 55.97 55.60 1c7f s LYS 3 Cb 0.00 -3.02 -0.02 0.00 -0.52 0.00 0.00 37.83 34.26 1c7f s LYS 3 CO 0.00 0.23 -0.23 0.00 -0.92 0.00 0.00 175.35 174.43 1c7f s ALA 4 N 0.41 1.96 -0.11 5.17 0.00 0.11 -1.24 121.76 128.06 1c7f s ALA 4 Ca -0.01 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.87 1c7f s ALA 4 Cb -0.14 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 1c7f s ALA 4 CO 0.02 0.46 -0.14 -1.17 0.00 0.00 0.00 175.76 174.93 1c7f s LEU 5 N -0.95 2.66 -0.17 0.00 2.96 -0.37 -1.29 118.68 121.52 1c7f s LEU 5 Ca 0.09 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 1c7f s LEU 5 Cb -0.09 -1.58 0.02 0.00 0.50 0.00 0.00 46.19 45.04 1c7f s LEU 5 CO 0.01 0.21 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.42 1c7f s ILE 6 N 0.11 1.98 -0.09 6.68 1.01 0.24 -0.05 121.20 131.08 1c7f s ILE 6 Ca -0.07 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.72 1c7f s ILE 6 Cb -0.15 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 1c7f s ILE 6 CO 0.05 0.53 -0.17 -0.69 0.00 0.00 0.00 174.94 174.65 1c7f s VAL 7 N 1.28 2.75 0.02 2.92 1.01 -0.13 -0.40 120.40 127.86 1c7f s VAL 7 Ca 0.04 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1c7f s VAL 7 Cb -0.13 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 1c7f s VAL 7 CO -0.12 0.56 -0.05 -0.72 0.00 0.00 0.00 175.10 174.77 1c7f s TYR 8 N -0.11 0.45 -0.12 5.22 -0.85 -0.69 -1.09 117.35 120.15 1c7f s TYR 8 Ca -0.03 -0.38 -0.01 0.00 -0.52 0.00 0.00 57.07 56.13 1c7f s TYR 8 Cb -0.14 -0.28 -0.02 0.00 0.38 0.00 0.00 41.96 41.90 1c7f s TYR 8 CO 0.04 -0.09 -0.09 0.20 -1.52 0.00 0.00 175.55 174.09 1c7f s GLY 9 N -1.12 1.62 -0.24 5.49 0.00 -0.51 -0.35 107.32 112.20 1c7f s GLY 9 Ca -0.08 -0.87 -0.13 0.00 0.00 0.00 0.00 44.72 43.63 1c7f s GLY 9 CO -0.00 -0.25 0.59 -0.45 0.00 0.00 0.00 173.10 172.99 1c7f s SER 10 N 0.12 -0.80 -0.18 1.64 0.15 -1.26 -3.05 113.70 110.32 1c7f s SER 10 Ca -0.04 1.31 0.09 0.00 0.70 0.00 0.00 55.95 58.01 1c7f s SER 10 Cb -0.14 1.24 -0.17 0.00 -1.71 0.00 0.00 66.02 65.23 1c7f s SER 10 CO 0.04 -0.22 -0.04 0.41 1.20 0.00 0.00 173.24 174.63 1c7f n THR 11 N 4.39 1.13 0.11 6.45 -1.04 -1.26 -4.60 114.28 119.47 1c7f n THR 11 Ca -0.20 -0.59 0.07 0.00 -2.04 0.00 0.00 64.05 61.29 1c7f n THR 11 Cb 0.57 -0.83 0.14 0.00 -1.82 0.00 0.00 70.33 68.39 1c7f n THR 11 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1c7f n THR 12 N -2.79 0.60 -0.04 12.58 -2.24 -1.26 -4.98 114.28 116.14 1c7f n THR 12 Ca -0.30 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.68 1c7f n THR 12 Cb 0.97 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 70.02 1c7f n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c7f n GLY 13 N 0.81 0.68 0.15 3.38 0.00 -1.26 -4.97 105.19 103.98 1c7f n GLY 13 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 1c7f n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1c7f h ASN 14 N 0.00 0.50 0.59 1.61 2.35 -1.95 -1.21 115.58 117.48 1c7f h ASN 14 Ca 0.00 -0.62 -0.08 0.00 -0.55 0.00 0.00 56.30 55.05 1c7f h ASN 14 Cb 0.00 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1c7f h ASN 14 CO 0.00 1.04 -0.36 0.74 -1.65 0.00 0.00 177.43 177.20 1c7f h THR 15 N -0.01 1.02 -0.37 2.81 2.02 -1.93 -1.63 112.91 114.82 1c7f h THR 15 Ca -0.02 -1.35 -0.08 0.00 0.77 0.00 0.00 66.41 65.73 1c7f h THR 15 Cb 1.01 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 1c7f h THR 15 CO 0.08 0.35 -0.07 -0.08 0.37 0.00 0.00 175.52 176.18 1c7f h GLU 16 N 0.00 0.70 -0.88 6.66 4.81 -1.85 0.55 114.58 124.57 1c7f h GLU 16 Ca -0.00 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 58.94 1c7f h GLU 16 Cb 0.75 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 1c7f h GLU 16 CO 0.05 0.84 0.45 -0.92 -0.73 0.00 0.00 179.01 178.70 1c7f h TYR 17 N 0.51 1.24 -0.16 0.92 3.20 -0.97 -0.54 116.97 121.16 1c7f h TYR 17 Ca 0.10 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1c7f h TYR 17 Cb 0.57 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1c7f h TYR 17 CO 0.05 0.88 0.06 1.15 -1.64 0.00 0.00 178.16 178.65 1c7f h THR 18 N 1.24 1.17 -0.74 1.81 2.02 -0.99 -2.10 112.91 115.32 1c7f h THR 18 Ca 0.31 -0.51 0.08 0.00 0.77 0.00 0.00 66.41 67.05 1c7f h THR 18 Cb 0.08 1.21 -0.07 0.00 -1.74 0.00 0.00 68.15 67.63 1c7f h THR 18 CO -0.04 0.16 0.41 0.00 0.37 0.00 0.00 175.52 176.42 1c7f h ALA 19 N 0.89 1.03 -0.13 6.16 0.00 -0.35 -1.60 119.26 125.25 1c7f h ALA 19 Ca 0.05 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1c7f h ALA 19 Cb 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1c7f h ALA 19 CO -0.00 0.06 -0.47 0.93 0.00 0.00 0.00 179.25 179.77 1c7f h GLU 20 N 0.72 0.33 -0.51 0.00 5.08 -0.99 -0.26 114.58 118.94 1c7f h GLU 20 Ca 0.35 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1c7f h GLU 20 Cb 0.28 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1c7f h GLU 20 CO -0.22 0.73 -0.01 1.15 -1.00 0.00 0.00 179.01 179.66 1c7f h THR 21 N 0.26 1.26 -0.11 1.13 2.02 -1.04 -1.70 112.91 114.74 1c7f h THR 21 Ca 0.02 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.09 1c7f h THR 21 Cb 0.92 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1c7f h THR 21 CO 0.08 0.39 0.05 0.40 0.37 0.00 0.00 175.52 176.80 1c7f h ILE 22 N 0.78 1.14 -0.82 3.11 2.04 -0.96 -2.49 117.51 120.30 1c7f h ILE 22 Ca 0.14 -0.42 0.15 0.00 1.00 0.00 0.00 64.86 65.74 1c7f h ILE 22 Cb 0.54 1.22 -0.10 0.00 -0.74 0.00 0.00 36.82 37.73 1c7f h ILE 22 CO 0.03 0.12 0.38 0.00 0.00 0.00 0.00 178.15 178.68 1c7f h ALA 23 N 0.89 1.21 -0.66 1.87 0.00 -0.93 -1.09 119.26 120.55 1c7f h ALA 23 Ca 0.04 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1c7f h ALA 23 Cb 0.16 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1c7f h ALA 23 CO -0.00 -0.16 0.18 -0.09 0.00 0.00 0.00 179.25 179.17 1c7f h ARG 24 N 0.53 1.04 -0.64 0.00 9.65 -1.16 -0.10 114.38 123.70 1c7f h ARG 24 Ca 0.45 -0.24 -0.08 0.00 -1.10 0.00 0.00 59.98 59.02 1c7f h ARG 24 Cb 0.68 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 29.09 1c7f h ARG 24 CO -0.39 0.92 0.09 0.93 2.80 0.00 0.00 179.97 184.32 1c7f h GLU 25 N 0.97 1.06 -0.15 0.20 4.39 -0.79 -0.09 114.58 120.16 1c7f h GLU 25 Ca 0.21 -0.28 -0.10 0.00 0.34 0.00 0.00 59.36 59.53 1c7f h GLU 25 Cb 0.34 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1c7f h GLU 25 CO -0.00 0.98 -0.30 -0.07 -1.16 0.00 0.00 179.01 178.45 1c7f h LEU 26 N 0.99 0.53 -0.71 1.33 3.38 -1.00 -2.83 115.31 117.00 1c7f h LEU 26 Ca 0.19 -0.55 0.06 0.00 0.09 0.00 0.00 57.88 57.67 1c7f h LEU 26 Cb 0.44 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 1c7f h LEU 26 CO 0.01 0.98 0.40 0.00 0.09 0.00 0.00 178.44 179.93 1c7f h ALA 27 N 0.56 0.96 0.00 1.53 0.00 -0.91 0.39 119.26 121.78 1c7f h ALA 27 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1c7f h ALA 27 Cb 0.89 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1c7f h ALA 27 CO 0.07 0.08 0.00 -0.44 0.00 0.00 0.00 179.25 178.95 1c7f h ASP 28 N 0.73 0.00 -0.24 0.00 3.32 -0.99 0.62 116.42 119.85 1c7f h ASP 28 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1c7f h ASP 28 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1c7f h ASP 28 CO -0.19 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.33 1c7f n ALA 29 N -2.08 2.49 -0.23 3.45 0.00 0.07 -4.92 120.51 119.29 1c7f n ALA 29 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1c7f n ALA 29 Cb 0.18 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1c7f n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c7f n GLY 30 N 1.14 0.77 3.86 0.00 0.00 0.21 -5.03 105.19 106.15 1c7f n GLY 30 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1c7f n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1c7f s TYR 31 N -2.19 3.56 -0.25 1.61 2.02 -0.88 -4.42 117.35 116.80 1c7f s TYR 31 Ca 0.00 1.33 -0.12 0.00 -0.37 0.00 0.00 57.07 57.90 1c7f s TYR 31 Cb 0.00 -2.75 -0.05 0.00 -0.40 0.00 0.00 41.96 38.77 1c7f s TYR 31 CO 0.00 -0.69 0.25 -1.83 -1.57 0.00 0.00 175.55 171.72 1c7f s GLU 32 N -4.99 4.04 -0.12 -0.62 -1.05 -0.23 -4.18 118.70 111.54 1c7f s GLU 32 Ca 0.56 -0.14 0.02 0.00 -0.15 0.00 0.00 54.97 55.25 1c7f s GLU 32 Cb -0.11 -3.60 -0.00 0.00 -0.44 0.00 0.00 34.13 29.98 1c7f s GLU 32 CO 0.50 -0.09 -0.19 0.08 0.95 0.00 0.00 175.26 176.51 1c7f s VAL 33 N 1.51 2.49 -0.28 1.83 1.01 -1.26 -0.71 120.40 124.98 1c7f s VAL 33 Ca 0.11 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 1c7f s VAL 33 Cb -0.15 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.24 1c7f s VAL 33 CO 0.08 0.54 0.04 -0.62 0.00 0.00 0.00 175.10 175.14 1c7f s ASP 34 N 0.46 4.92 -0.28 3.32 -1.08 -0.42 -4.98 116.67 118.62 1c7f s ASP 34 Ca -0.13 -0.73 -0.04 0.00 -0.52 0.00 0.00 52.55 51.13 1c7f s ASP 34 Cb -0.17 -1.83 0.02 0.00 -1.46 0.00 0.00 42.92 39.49 1c7f s ASP 34 CO 0.05 -0.17 0.01 -0.55 0.52 0.00 0.00 175.17 175.03 1c7f s SER 35 N 1.46 4.75 0.01 -0.34 0.15 -1.26 -0.59 113.70 117.88 1c7f s SER 35 Ca 0.02 -0.88 0.05 0.00 0.70 0.00 0.00 55.95 55.84 1c7f s SER 35 Cb -0.17 -1.76 -0.02 0.00 -1.71 0.00 0.00 66.02 62.36 1c7f s SER 35 CO 0.01 -0.18 -0.15 -0.13 1.20 0.00 0.00 173.24 173.98 1c7f s ARG 36 N 1.39 1.18 0.39 5.44 0.52 0.47 -4.97 118.95 123.36 1c7f s ARG 36 Ca 0.00 -0.63 -0.25 0.00 -0.52 0.00 0.00 55.73 54.33 1c7f s ARG 36 Cb -0.17 -1.17 -0.09 0.00 0.52 0.00 0.00 34.95 34.04 1c7f s ARG 36 CO -0.01 0.31 1.09 0.34 0.02 0.00 0.00 175.30 177.05 1c7f s ASP 37 N -0.62 6.71 0.51 0.23 -1.08 -1.26 -1.71 116.67 119.46 1c7f s ASP 37 Ca 0.05 2.14 0.28 0.00 -0.52 0.00 0.00 52.55 54.50 1c7f s ASP 37 Cb -0.07 -2.60 1.32 0.00 -1.46 0.00 0.00 42.92 40.12 1c7f s ASP 37 CO 0.00 -0.53 1.99 0.00 0.52 0.00 0.00 175.17 177.16 1c7f h ALA 38 N 2.62 1.13 0.00 3.66 0.00 -1.00 -1.95 119.26 123.72 1c7f h ALA 38 Ca -0.48 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 1c7f h ALA 38 Cb 1.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1c7f h ALA 38 CO 0.63 0.16 -0.19 0.00 0.00 0.00 0.00 179.25 179.85 1c7f h ALA 39 N 1.87 1.37 -0.68 0.00 0.00 -1.82 -2.98 119.26 117.02 1c7f h ALA 39 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1c7f h ALA 39 Cb 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1c7f h ALA 39 CO 0.02 0.24 0.00 -1.13 0.00 0.00 0.00 179.25 178.37 1c7f n SER 40 N -3.86 3.84 -4.66 0.00 3.41 -0.73 -5.00 113.62 106.62 1c7f n SER 40 Ca -0.02 -2.00 -0.24 0.00 -0.26 0.00 0.00 58.87 56.36 1c7f n SER 40 Cb 0.28 -0.45 -0.08 0.00 -0.26 0.00 0.00 64.21 63.70 1c7f n SER 40 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1c7f s VAL 41 N -1.02 2.93 -0.07 -3.33 -7.23 -1.13 -5.02 120.40 105.52 1c7f s VAL 41 Ca 0.46 -1.89 0.03 0.00 -1.81 0.00 0.00 61.98 58.77 1c7f s VAL 41 Cb 0.24 -2.84 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 1c7f s VAL 41 CO 0.32 -0.24 -0.15 -1.61 -0.31 0.00 0.00 175.10 173.11 1c7f s GLU 42 N -3.74 2.74 0.18 4.82 0.41 -1.26 -5.01 118.70 116.85 1c7f s GLU 42 Ca 0.35 -0.71 -0.12 0.00 -0.41 0.00 0.00 54.97 54.08 1c7f s GLU 42 Cb -0.02 -2.43 0.09 0.00 -1.78 0.00 0.00 34.13 29.99 1c7f s GLU 42 CO 0.20 0.49 1.75 0.00 -0.49 0.00 0.00 175.26 177.21 1c7f h ALA 43 N 5.78 0.80 -0.93 5.21 0.00 -1.92 -3.39 119.26 124.81 1c7f h ALA 43 Ca -0.40 -0.15 -0.67 0.00 0.00 0.00 0.00 54.91 53.69 1c7f h ALA 43 Cb 1.17 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1c7f h ALA 43 CO 0.51 0.39 1.43 0.41 0.00 0.00 0.00 179.25 182.00 1c7f n GLY 44 N -0.88 0.36 2.41 0.00 0.00 -1.26 -1.14 105.19 104.68 1c7f n GLY 44 Ca 0.04 0.95 -0.09 0.00 0.00 0.00 0.00 46.02 46.93 1c7f n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c7f n GLY 45 N 6.65 1.00 0.35 -0.02 0.00 0.11 -4.91 105.19 108.37 1c7f n GLY 45 Ca 0.44 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 46.16 1c7f n GLY 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1c7f h LEU 46 N 0.00 0.76 -0.58 0.99 5.85 -1.08 -2.29 115.31 118.96 1c7f h LEU 46 Ca -0.18 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1c7f h LEU 46 Cb 0.73 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1c7f h LEU 46 CO 0.26 0.52 -0.09 0.49 -0.34 0.00 0.00 178.44 179.28 1c7f n PHE 47 N -4.46 0.00 -1.70 1.25 3.72 -0.10 -4.93 117.46 111.24 1c7f n PHE 47 Ca 0.10 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.06 1c7f n PHE 47 Cb 0.15 -0.07 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 1c7f n PHE 47 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1c7f n GLU 48 N -0.41 2.37 -0.18 -1.08 -0.58 -0.87 -1.70 120.64 118.20 1c7f n GLU 48 Ca 0.17 0.85 0.00 0.00 -0.42 0.00 0.00 57.16 57.76 1c7f n GLU 48 Cb 0.31 -2.60 0.00 0.00 -0.57 0.00 0.00 31.44 28.57 1c7f n GLU 48 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1c7f n GLY 49 N 2.83 1.44 3.77 0.62 0.00 -1.26 -5.05 105.19 107.54 1c7f n GLY 49 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1c7f n GLY 49 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1c7f s PHE 50 N -2.76 3.43 0.26 1.61 0.08 -0.69 -4.86 117.98 115.04 1c7f s PHE 50 Ca 0.00 0.35 0.04 0.00 0.12 0.00 0.00 56.93 57.44 1c7f s PHE 50 Cb 0.00 -2.01 0.32 0.00 -0.57 0.00 0.00 43.02 40.76 1c7f s PHE 50 CO 0.00 0.47 1.62 -0.44 -0.10 0.00 0.00 175.22 176.77 1c7f h ASP 51 N 5.78 0.31 -3.66 1.36 3.32 -1.51 -3.45 116.42 118.57 1c7f h ASP 51 Ca -0.47 -0.15 -0.24 0.00 0.02 0.00 0.00 57.03 56.19 1c7f h ASP 51 Cb 1.19 -0.09 -0.29 0.00 0.22 0.00 0.00 39.33 40.36 1c7f h ASP 51 CO 0.65 0.77 -0.67 -0.22 -1.72 0.00 0.00 179.24 178.05 1c7f s LEU 52 N -8.13 1.53 -0.06 1.55 2.96 -1.04 -4.28 118.68 111.21 1c7f s LEU 52 Ca -0.05 0.11 0.05 0.00 -0.22 0.00 0.00 54.13 54.03 1c7f s LEU 52 Cb 0.12 0.15 -0.01 0.00 0.50 0.00 0.00 46.19 46.95 1c7f s LEU 52 CO 0.79 -0.06 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.85 1c7f s VAL 53 N 0.37 1.90 -0.11 1.68 1.01 -0.55 -1.23 120.40 123.47 1c7f s VAL 53 Ca -0.03 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.00 1c7f s VAL 53 Cb -0.04 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.73 1c7f s VAL 53 CO -0.01 0.53 -0.18 -0.76 0.00 0.00 0.00 175.10 174.67 1c7f s LEU 54 N -0.03 1.89 -0.05 3.92 1.43 0.93 -1.92 118.68 124.84 1c7f s LEU 54 Ca -0.06 -0.48 0.06 0.00 -1.03 0.00 0.00 54.13 52.62 1c7f s LEU 54 Cb -0.14 -1.21 -0.01 0.00 0.03 0.00 0.00 46.19 44.86 1c7f s LEU 54 CO 0.04 0.07 -0.24 -0.76 0.23 0.00 0.00 176.35 175.69 1c7f s LEU 55 N 0.75 2.16 0.01 1.79 1.43 -0.82 -0.96 118.68 123.03 1c7f s LEU 55 Ca -0.11 -0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 52.52 1c7f s LEU 55 Cb -0.16 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 1c7f s LEU 55 CO 0.02 0.26 -0.01 -0.83 0.23 0.00 0.00 176.35 176.02 1c7f s GLY 56 N -0.26 0.08 -0.06 -3.19 0.00 -0.25 -0.85 107.32 102.79 1c7f s GLY 56 Ca -0.01 -0.21 -0.30 0.00 0.00 0.00 0.00 44.72 44.21 1c7f s GLY 56 CO 0.03 -0.23 0.67 0.00 0.00 0.00 0.00 173.10 173.57 1c7f s SER 58 N -1.10 5.52 -0.10 0.00 1.04 -1.17 -3.93 113.70 113.95 1c7f s SER 58 Ca -0.10 -0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.30 1c7f s SER 58 Cb -0.00 -1.00 -0.02 0.00 0.10 0.00 0.00 66.02 65.10 1c7f s SER 58 CO 0.09 -0.92 -0.14 -0.89 0.98 0.00 0.00 173.24 172.35 1c7f s THR 59 N -2.60 2.96 0.00 2.02 2.01 -1.24 -2.66 115.64 116.14 1c7f s THR 59 Ca 0.54 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.83 1c7f s THR 59 Cb -0.10 -2.21 0.00 0.00 0.01 0.00 0.00 72.50 70.20 1c7f s THR 59 CO 0.37 0.55 0.00 0.79 -0.69 0.00 0.00 174.62 175.63 1c7f n TRP 60 N 3.16 0.00 0.00 4.92 7.02 0.29 -4.97 117.44 127.86 1c7f n TRP 60 Ca -0.18 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.30 1c7f n TRP 60 Cb 0.53 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 1c7f n TRP 60 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1c7f n GLY 61 N 2.29 2.36 3.38 6.99 0.00 -1.26 -0.63 105.19 118.32 1c7f n GLY 61 Ca 0.00 -1.60 -0.45 0.00 0.00 0.00 0.00 46.02 43.98 1c7f n GLY 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1c7f s ASP 62 N 0.00 6.19 0.00 1.61 1.01 -1.26 -4.46 116.67 119.76 1c7f s ASP 62 Ca 0.00 -1.36 0.00 0.00 0.71 0.00 0.00 52.55 51.90 1c7f s ASP 62 Cb 0.00 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.66 1c7f s ASP 62 CO 0.00 -0.95 0.00 -0.90 0.21 0.00 0.00 175.17 173.53 1c7f n ASP 63 N 5.94 0.00 -4.80 0.27 5.68 -1.26 -4.94 116.55 117.44 1c7f n ASP 63 Ca -0.10 0.00 -0.32 0.00 -0.50 0.00 0.00 54.79 53.87 1c7f n ASP 63 Cb 0.43 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.35 1c7f n ASP 63 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1c7f s SER 64 N -1.29 4.25 -0.30 -1.12 1.04 -1.26 -5.06 113.70 109.97 1c7f s SER 64 Ca 0.00 -1.57 -0.15 0.00 0.48 0.00 0.00 55.95 54.71 1c7f s SER 64 Cb 0.00 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.63 1c7f s SER 64 CO 0.00 -0.93 0.35 -0.63 0.98 0.00 0.00 173.24 173.01 1c7f s ILE 65 N -2.86 5.18 0.09 -1.02 1.01 -1.26 -4.42 121.20 117.92 1c7f s ILE 65 Ca 0.11 0.31 0.09 0.00 0.00 0.00 0.00 60.65 61.16 1c7f s ILE 65 Cb 0.00 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 1c7f s ILE 65 CO 0.07 0.06 -0.23 -1.61 0.00 0.00 0.00 174.94 173.22 1c7f s GLU 66 N 2.02 1.36 0.56 2.79 2.02 0.20 -4.95 118.70 122.71 1c7f s GLU 66 Ca 0.13 -1.15 -0.07 0.00 0.02 0.00 0.00 54.97 53.90 1c7f s GLU 66 Cb -0.16 -1.64 -0.02 0.00 0.10 0.00 0.00 34.13 32.41 1c7f s GLU 66 CO 0.11 0.40 0.90 -0.51 0.02 0.00 0.00 175.26 176.17 1c7f s LEU 67 N -1.66 3.37 0.27 1.80 1.02 -1.26 -0.55 118.68 121.67 1c7f s LEU 67 Ca 0.09 0.99 -0.31 0.00 0.02 0.00 0.00 54.13 54.93 1c7f s LEU 67 Cb -0.10 -3.92 -0.12 0.00 0.02 0.00 0.00 46.19 42.07 1c7f s LEU 67 CO 0.04 -0.84 1.53 1.67 0.02 0.00 0.00 176.35 178.77 1c7f n GLN 68 N -2.52 2.45 -0.33 1.70 0.00 -1.09 -4.74 117.38 112.85 1c7f n GLN 68 Ca 0.03 0.87 0.11 0.00 -0.00 0.00 0.00 57.00 58.01 1c7f n GLN 68 Cb 0.56 -2.61 0.32 0.00 0.00 0.00 0.00 30.24 28.50 1c7f n GLN 68 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1c7f h ASP 69 N 4.66 0.79 0.86 1.69 3.32 -1.95 -0.56 116.42 125.22 1c7f h ASP 69 Ca -0.46 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.59 1c7f h ASP 69 Cb 1.24 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 1c7f h ASP 69 CO 0.79 0.37 -0.28 0.44 -1.72 0.00 0.00 179.24 178.84 1c7f h ASP 70 N 0.82 0.00 1.75 6.45 3.32 -1.95 -3.23 116.42 123.58 1c7f h ASP 70 Ca 0.50 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.53 1c7f h ASP 70 Cb 0.70 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 1c7f h ASP 70 CO -0.27 0.28 -0.25 0.15 -1.72 0.00 0.00 179.24 177.43 1c7f h PHE 71 N 0.00 0.00 -0.55 4.55 3.04 -1.43 -3.38 116.94 119.17 1c7f h PHE 71 Ca -0.00 0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.06 1c7f h PHE 71 Cb 0.79 0.00 -0.09 0.00 2.56 0.00 0.00 35.95 39.21 1c7f h PHE 71 CO 0.00 0.11 0.01 0.82 -2.02 0.00 0.00 178.31 177.23 1c7f h ILE 72 N 0.00 0.57 -0.52 1.41 2.04 -1.52 -0.72 117.51 118.77 1c7f h ILE 72 Ca -0.01 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 1c7f h ILE 72 Cb 1.09 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1c7f h ILE 72 CO 0.01 0.02 0.10 -0.65 0.00 0.00 0.00 178.15 177.64 1c7f h PRO 73 N 0.13 0.80 -0.28 2.37 0.11 -1.80 0.27 132.00 133.60 1c7f h PRO 73 Ca 0.28 -0.17 -0.07 0.00 0.11 0.00 0.00 66.00 66.15 1c7f h PRO 73 Cb 0.44 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 1c7f h PRO 73 CO -0.45 0.74 -0.10 1.25 -0.21 0.00 0.00 178.00 179.22 1c7f h LEU 74 N 0.77 0.58 -0.40 2.35 5.85 -1.64 -2.73 115.31 120.09 1c7f h LEU 74 Ca 0.17 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.52 1c7f h LEU 74 Cb 0.32 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1c7f h LEU 74 CO 0.00 0.84 0.23 0.15 -0.34 0.00 0.00 178.44 179.31 1c7f h PHE 75 N 0.32 0.42 0.00 1.25 3.57 -0.64 -0.63 116.94 121.23 1c7f h PHE 75 Ca 0.07 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1c7f h PHE 75 Cb 0.60 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1c7f h PHE 75 CO 0.06 0.24 0.00 -0.44 -2.23 0.00 0.00 178.31 175.94 1c7f h ASP 76 N 0.46 0.00 0.00 0.41 3.32 -0.93 -2.74 116.42 116.93 1c7f h ASP 76 Ca 0.16 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1c7f h ASP 76 Cb 0.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1c7f h ASP 76 CO -0.08 0.00 -0.41 -1.20 -1.72 0.00 0.00 179.24 175.83 1c7f n SER 77 N -3.02 1.82 0.30 6.45 7.64 -0.50 -4.78 113.62 121.52 1c7f n SER 77 Ca -0.02 -3.66 0.17 0.00 1.01 0.00 0.00 58.87 56.37 1c7f n SER 77 Cb 0.14 -0.50 0.97 0.00 -1.01 0.00 0.00 64.21 63.80 1c7f n SER 77 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1c7f h LEU 78 N 0.77 0.00 0.00 -3.43 5.85 -0.85 -0.49 115.31 117.17 1c7f h LEU 78 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1c7f h LEU 78 Cb 1.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1c7f h LEU 78 CO 0.00 0.01 0.00 -1.84 -0.34 0.00 0.00 178.44 176.27 1c7f n GLU 79 N -3.66 0.08 -0.22 1.25 0.00 -1.26 -2.59 120.64 114.24 1c7f n GLU 79 Ca -0.03 0.18 0.09 0.00 0.00 0.00 0.00 57.16 57.40 1c7f n GLU 79 Cb 0.09 -1.50 0.21 0.00 0.00 0.00 0.00 31.44 30.24 1c7f n GLU 79 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1c7f n GLU 80 N -1.43 2.53 0.11 3.44 1.02 -0.19 -4.55 120.64 121.57 1c7f n GLU 80 Ca 0.05 -2.20 0.12 0.00 -0.02 0.00 0.00 57.16 55.12 1c7f n GLU 80 Cb 0.18 -1.40 0.19 0.00 -0.02 0.00 0.00 31.44 30.39 1c7f n GLU 80 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1c7f h THR 81 N 3.19 0.00 -0.10 2.62 1.35 -1.61 0.30 112.91 118.66 1c7f h THR 81 Ca 0.00 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1c7f h THR 81 Cb 0.83 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1c7f h THR 81 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1c7f n GLY 82 N 1.26 1.34 0.10 5.82 0.00 -1.26 -0.92 105.19 111.53 1c7f n GLY 82 Ca 0.03 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.98 1c7f n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c7f h ALA 83 N 0.00 0.82 -2.40 4.61 0.00 -1.89 -3.42 119.26 116.98 1c7f h ALA 83 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1c7f h ALA 83 Cb 0.25 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.05 1c7f h ALA 83 CO 0.00 0.00 1.11 -1.14 0.00 0.00 0.00 179.25 179.22 1c7f s GLN 84 N -3.15 4.16 0.00 0.00 0.74 -1.26 -0.99 119.66 119.17 1c7f s GLN 84 Ca 0.08 2.45 0.00 0.00 0.05 0.00 0.00 55.36 57.94 1c7f s GLN 84 Cb 0.12 -3.83 0.00 0.00 1.10 0.00 0.00 33.01 30.40 1c7f s GLN 84 CO 0.66 -0.84 0.00 0.41 -0.55 0.00 0.00 175.29 174.97 1c7f n GLY 85 N 4.23 0.46 3.81 2.59 0.00 -0.45 -4.92 105.19 110.91 1c7f n GLY 85 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1c7f n GLY 85 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1c7f s ARG 86 N -0.57 4.22 -0.19 1.61 6.06 -0.16 -4.71 118.95 125.21 1c7f s ARG 86 Ca 0.00 0.78 -0.29 0.00 -2.50 0.00 0.00 55.73 53.72 1c7f s ARG 86 Cb 0.00 -3.09 -0.00 0.00 0.06 0.00 0.00 34.95 31.91 1c7f s ARG 86 CO 0.00 0.54 1.16 0.15 -2.50 0.00 0.00 175.30 174.65 1c7f s LYS 87 N -1.49 4.25 0.18 5.12 1.02 -1.26 -0.98 119.74 126.58 1c7f s LYS 87 Ca 0.35 1.53 0.02 0.00 0.02 0.00 0.00 55.97 57.89 1c7f s LYS 87 Cb -0.18 -3.70 -0.05 0.00 -0.52 0.00 0.00 37.83 33.38 1c7f s LYS 87 CO 0.21 -0.66 -0.01 0.14 -0.92 0.00 0.00 175.35 174.11 1c7f s VAL 88 N 3.29 0.78 -0.03 3.17 -7.23 -0.59 -1.49 120.40 118.30 1c7f s VAL 88 Ca 0.50 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.40 1c7f s VAL 88 Cb -0.19 -2.15 0.06 0.00 0.56 0.00 0.00 36.38 34.67 1c7f s VAL 88 CO 0.11 -0.46 0.61 0.00 -0.31 0.00 0.00 175.10 175.05 1c7f s ALA 89 N -3.59 -1.58 0.19 1.32 0.00 -0.81 -0.38 121.76 116.91 1c7f s ALA 89 Ca 0.24 1.09 0.11 0.00 0.00 0.00 0.00 51.96 53.40 1c7f s ALA 89 Cb 0.06 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1c7f s ALA 89 CO 0.05 -0.37 -0.19 0.00 0.00 0.00 0.00 175.76 175.24 1c7f s PHE 91 N -1.69 0.20 0.00 0.00 -0.71 -0.03 -1.02 117.98 114.72 1c7f s PHE 91 Ca 0.22 -0.57 0.00 0.00 -1.04 0.00 0.00 56.93 55.55 1c7f s PHE 91 Cb -0.08 0.27 0.00 0.00 -1.21 0.00 0.00 43.02 42.00 1c7f s PHE 91 CO 0.12 -0.98 0.00 0.41 -1.34 0.00 0.00 175.22 173.43 1c7f n GLY 92 N -0.37 0.78 3.65 1.99 0.00 -0.36 -1.76 105.19 109.13 1c7f n GLY 92 Ca -0.04 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.06 1c7f n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c7f n GLY 94 N 0.25 2.43 2.71 0.00 0.00 0.23 -3.66 105.19 107.16 1c7f n GLY 94 Ca -0.11 -0.63 -0.18 0.00 0.00 0.00 0.00 46.02 45.11 1c7f n GLY 94 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1c7f s GLU 95 N 1.27 -0.06 0.00 1.61 2.02 -1.26 -1.63 118.70 120.64 1c7f s GLU 95 Ca 0.00 0.30 0.09 0.00 0.02 0.00 0.00 54.97 55.38 1c7f s GLU 95 Cb 0.00 -0.40 0.43 0.00 0.10 0.00 0.00 34.13 34.26 1c7f s GLU 95 CO 0.00 -0.26 1.15 -1.13 0.02 0.00 0.00 175.26 175.04 1c7f n SER 96 N 4.82 0.00 0.23 -0.19 3.41 -1.26 -2.17 113.62 118.47 1c7f n SER 96 Ca -0.14 0.17 0.13 0.00 -0.26 0.00 0.00 58.87 58.78 1c7f n SER 96 Cb 0.50 -0.29 0.32 0.00 -0.26 0.00 0.00 64.21 64.48 1c7f n SER 96 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1c7f h SER 97 N 0.00 0.00 -4.33 4.04 4.64 -2.00 -3.45 113.55 112.45 1c7f h SER 97 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1c7f h SER 97 Cb 0.08 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.25 1c7f h SER 97 CO 0.00 0.03 0.39 -0.31 -0.87 0.00 0.00 176.83 176.07 1c7f s TYR 98 N -3.35 3.33 0.09 4.77 1.51 -0.92 -4.99 117.35 117.79 1c7f s TYR 98 Ca 0.05 1.38 -0.26 0.00 -1.01 0.00 0.00 57.07 57.23 1c7f s TYR 98 Cb 0.06 -2.82 -0.16 0.00 -0.11 0.00 0.00 41.96 38.94 1c7f s TYR 98 CO 0.64 -0.96 1.70 1.49 -1.11 0.00 0.00 175.55 177.31 1c7f h GLU 99 N -0.39 -0.27 -3.59 -0.62 4.81 -1.89 -3.32 114.58 109.30 1c7f h GLU 99 Ca -0.44 0.02 -0.78 0.00 -0.13 0.00 0.00 59.36 58.03 1c7f h GLU 99 Cb 1.20 0.06 -0.29 0.00 0.63 0.00 0.00 28.75 30.35 1c7f h GLU 99 CO 0.59 -0.18 0.23 0.71 -0.73 0.00 0.00 179.01 179.62 1c7f s TYR 100 N -6.15 4.04 -0.08 0.92 1.51 -1.26 -5.04 117.35 111.29 1c7f s TYR 100 Ca -0.14 -2.58 -0.29 0.00 -1.01 0.00 0.00 57.07 53.04 1c7f s TYR 100 Cb 0.05 -3.69 -0.07 0.00 -0.11 0.00 0.00 41.96 38.14 1c7f s TYR 100 CO 0.65 -0.92 1.94 0.12 -1.11 0.00 0.00 175.55 176.24 1c7f s PHE 101 N -0.87 1.45 -1.49 2.71 5.36 -1.25 -2.21 117.98 121.68 1c7f s PHE 101 Ca 0.26 0.01 -0.10 0.00 -0.96 0.00 0.00 56.93 56.15 1c7f s PHE 101 Cb -0.10 -4.09 0.07 0.00 -0.34 0.00 0.00 43.02 38.55 1c7f s PHE 101 CO -0.09 -4.62 0.81 0.00 -1.46 0.00 0.00 175.22 169.87 1c7f h GLY 103 N -1.92 0.00 1.52 0.00 0.00 -1.84 -1.49 103.07 99.34 1c7f h GLY 103 Ca -0.60 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.74 1c7f h GLY 103 CO 0.66 0.00 0.31 0.00 0.00 0.00 0.00 176.54 177.51 1c7f h ALA 104 N 1.92 1.68 -0.53 3.60 0.00 -1.87 -1.78 119.26 122.28 1c7f h ALA 104 Ca -0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1c7f h ALA 104 Cb 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1c7f h ALA 104 CO 0.01 0.29 0.04 0.28 0.00 0.00 0.00 179.25 179.87 1c7f h VAL 105 N 0.62 1.26 -0.41 0.00 2.07 -1.54 -0.96 116.25 117.29 1c7f h VAL 105 Ca 0.17 -1.04 -0.06 0.00 0.82 0.00 0.00 66.70 66.60 1c7f h VAL 105 Cb -0.05 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1c7f h VAL 105 CO -0.04 0.37 0.01 0.44 0.02 0.00 0.00 177.57 178.37 1c7f h ASP 106 N 0.79 0.71 -0.75 0.57 3.32 -1.45 -1.68 116.42 117.94 1c7f h ASP 106 Ca 0.16 -0.30 -0.06 0.00 0.02 0.00 0.00 57.03 56.85 1c7f h ASP 106 Cb 0.47 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1c7f h ASP 106 CO 0.02 0.83 0.24 0.00 -1.72 0.00 0.00 179.24 178.61 1c7f h ALA 107 N 0.90 0.99 -0.17 3.45 0.00 -1.17 -1.35 119.26 121.92 1c7f h ALA 107 Ca 0.12 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1c7f h ALA 107 Cb 0.47 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1c7f h ALA 107 CO 0.02 0.67 -0.12 0.82 0.00 0.00 0.00 179.25 180.64 1c7f h ILE 108 N 1.12 1.33 -0.69 0.00 2.04 -1.10 -1.79 117.51 118.42 1c7f h ILE 108 Ca 0.24 -1.24 0.05 0.00 1.00 0.00 0.00 64.86 64.92 1c7f h ILE 108 Cb 0.31 1.76 -0.05 0.00 -0.74 0.00 0.00 36.82 38.10 1c7f h ILE 108 CO -0.01 0.37 0.41 -0.33 0.00 0.00 0.00 178.15 178.59 1c7f h GLU 109 N 0.05 0.74 -0.44 2.37 5.08 -1.20 -0.89 114.58 120.29 1c7f h GLU 109 Ca 0.03 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1c7f h GLU 109 Cb 0.63 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1c7f h GLU 109 CO 0.03 0.49 0.14 1.49 -1.00 0.00 0.00 179.01 180.17 1c7f h GLU 110 N 0.76 0.68 -0.56 2.33 4.81 -1.23 -1.10 114.58 120.27 1c7f h GLU 110 Ca 0.30 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 1c7f h GLU 110 Cb 0.13 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1c7f h GLU 110 CO -0.16 0.65 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.51 1c7f h LYS 111 N 0.56 1.00 -0.25 1.92 3.64 -0.93 -2.51 116.57 119.99 1c7f h LYS 111 Ca 0.14 -0.33 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1c7f h LYS 111 Cb 0.26 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1c7f h LYS 111 CO -0.01 1.01 0.15 -0.07 -2.27 0.00 0.00 179.45 178.27 1c7f h LEU 112 N 0.90 0.30 -0.63 5.20 4.07 -0.97 -1.89 115.31 122.29 1c7f h LEU 112 Ca 0.15 -0.04 0.06 0.00 0.08 0.00 0.00 57.88 58.14 1c7f h LEU 112 Cb 0.59 -0.08 -0.06 0.00 1.08 0.00 0.00 40.66 42.20 1c7f h LEU 112 CO 0.04 0.25 0.33 0.11 -1.08 0.00 0.00 178.44 178.09 1c7f h LYS 113 N 0.32 0.59 0.00 1.13 1.57 -1.12 -0.17 116.57 118.89 1c7f h LYS 113 Ca 0.09 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1c7f h LYS 113 Cb 0.01 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 1c7f h LYS 113 CO -0.02 0.39 -0.06 -0.91 -0.57 0.00 0.00 179.45 178.29 1c7f h ASN 114 N 0.61 0.00 -0.07 0.86 4.21 -1.09 -0.53 115.58 119.57 1c7f h ASN 114 Ca 0.29 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.80 1c7f h ASN 114 Cb 0.22 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.42 1c7f h ASN 114 CO -0.20 0.06 0.00 0.18 -1.29 0.00 0.00 177.43 176.18 1c7f n LEU 115 N -4.22 1.33 0.00 1.61 4.77 -0.74 -4.92 117.00 114.83 1c7f n LEU 115 Ca -0.03 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1c7f n LEU 115 Cb 0.14 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1c7f n LEU 115 CO 0.33 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1c7f n GLY 116 N 1.12 0.53 3.83 -0.72 0.00 -0.21 -3.99 105.19 105.76 1c7f n GLY 116 Ca 0.18 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 1c7f n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c7f s ALA 117 N -2.00 2.53 -0.51 4.61 0.00 -0.12 -1.34 121.76 124.93 1c7f s ALA 117 Ca 0.00 -0.22 -0.15 0.00 0.00 0.00 0.00 51.96 51.59 1c7f s ALA 117 Cb 0.00 -3.09 0.11 0.00 0.00 0.00 0.00 23.12 20.15 1c7f s ALA 117 CO 0.00 -1.45 0.45 -2.00 0.00 0.00 0.00 175.76 172.76 1c7f s GLU 118 N -5.21 2.92 -0.25 0.00 2.12 -0.15 -4.66 118.70 113.47 1c7f s GLU 118 Ca 0.59 -1.63 -0.29 0.00 0.36 0.00 0.00 54.97 54.00 1c7f s GLU 118 Cb -0.13 -4.21 -0.01 0.00 0.26 0.00 0.00 34.13 30.05 1c7f s GLU 118 CO 0.53 -1.24 1.35 0.42 -0.54 0.00 0.00 175.26 175.79 1c7f s ILE 119 N 1.58 4.08 0.10 -3.70 -1.09 -1.26 -1.53 121.20 119.38 1c7f s ILE 119 Ca 0.04 1.24 0.06 0.00 -2.23 0.00 0.00 60.65 59.76 1c7f s ILE 119 Cb -0.28 -4.03 -0.22 0.00 -1.58 0.00 0.00 42.46 36.35 1c7f s ILE 119 CO 0.03 -0.37 1.22 0.58 -1.23 0.00 0.00 174.94 175.18 1c7f h VAL 120 N 5.89 1.64 -3.40 2.92 2.07 -1.09 -3.47 116.25 120.81 1c7f h VAL 120 Ca -0.28 -3.34 -0.10 0.00 0.82 0.00 0.00 66.70 63.79 1c7f h VAL 120 Cb 1.11 2.83 -0.17 0.00 -1.52 0.00 0.00 31.29 33.53 1c7f h VAL 120 CO 1.01 0.94 -0.32 -1.58 0.02 0.00 0.00 177.57 177.64 1c7f s GLN 121 N -2.70 0.74 0.54 1.57 2.00 -1.26 -4.99 119.66 115.56 1c7f s GLN 121 Ca 0.00 -0.53 -0.21 0.00 -2.00 0.00 0.00 55.36 52.62 1c7f s GLN 121 Cb 0.10 0.31 -0.05 0.00 0.80 0.00 0.00 33.01 34.17 1c7f s GLN 121 CO 0.83 -0.22 1.30 -0.51 -0.50 0.00 0.00 175.29 176.18 1c7f s ASP 122 N -1.99 5.38 0.55 6.67 1.01 -1.26 -4.67 116.67 122.36 1c7f s ASP 122 Ca -0.06 2.61 -0.20 0.00 0.71 0.00 0.00 52.55 55.61 1c7f s ASP 122 Cb -0.02 -2.62 -0.06 0.00 1.01 0.00 0.00 42.92 41.23 1c7f s ASP 122 CO -0.03 -1.48 0.98 0.61 0.21 0.00 0.00 175.17 175.46 1c7f n GLY 123 N 0.66 -0.28 3.67 0.21 0.00 -1.26 -4.86 105.19 103.32 1c7f n GLY 123 Ca 0.11 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1c7f n GLY 123 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1c7f s LEU 124 N -1.59 4.17 -0.24 0.99 2.96 -0.19 -4.97 118.68 119.81 1c7f s LEU 124 Ca 0.72 0.79 0.02 0.00 -0.22 0.00 0.00 54.13 55.45 1c7f s LEU 124 Cb -0.45 -2.81 0.05 0.00 0.50 0.00 0.00 46.19 43.48 1c7f s LEU 124 CO 0.50 -0.19 -0.13 -0.13 -1.32 0.00 0.00 176.35 175.08 1c7f s ARG 125 N 1.56 2.44 -0.17 1.98 0.52 -1.26 -1.22 118.95 122.80 1c7f s ARG 125 Ca 0.27 -1.21 -0.06 0.00 -0.52 0.00 0.00 55.73 54.21 1c7f s ARG 125 Cb -0.16 -2.81 -0.04 0.00 0.52 0.00 0.00 34.95 32.46 1c7f s ARG 125 CO 0.11 -0.48 0.04 0.42 0.02 0.00 0.00 175.30 175.41 1c7f s ILE 126 N 1.15 4.62 -0.23 1.52 1.01 -0.01 -5.00 121.20 124.25 1c7f s ILE 126 Ca -0.05 -0.10 -0.10 0.00 0.00 0.00 0.00 60.65 60.40 1c7f s ILE 126 Cb -0.18 -3.06 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 1c7f s ILE 126 CO -0.07 0.48 0.13 -0.62 0.00 0.00 0.00 174.94 174.86 1c7f s ASP 127 N 0.27 5.89 0.27 3.58 2.15 -1.26 -0.60 116.67 126.96 1c7f s ASP 127 Ca 0.02 0.05 0.00 0.00 0.43 0.00 0.00 52.55 53.06 1c7f s ASP 127 Cb -0.13 -2.06 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 1c7f s ASP 127 CO 0.01 0.06 0.00 0.61 -0.17 0.00 0.00 175.17 175.68 1c7f n GLY 128 N 4.31 0.25 3.66 2.66 0.00 -0.65 -4.78 105.19 110.65 1c7f n GLY 128 Ca -0.15 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 1c7f n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1c7f s ASP 129 N -4.00 6.92 0.43 1.61 2.15 -1.26 -4.80 116.67 117.72 1c7f s ASP 129 Ca 0.00 1.78 0.17 0.00 0.43 0.00 0.00 52.55 54.94 1c7f s ASP 129 Cb 0.00 -2.54 0.97 0.00 -0.30 0.00 0.00 42.92 41.05 1c7f s ASP 129 CO 0.00 -0.76 1.92 1.55 -0.17 0.00 0.00 175.17 177.71 1c7f h PRO 130 N 8.23 0.00 0.00 4.34 0.13 -1.89 -1.71 132.00 141.10 1c7f h PRO 130 Ca -0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 1c7f h PRO 130 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1c7f h PRO 130 CO 0.95 0.26 -0.06 0.00 -0.23 0.00 0.00 178.00 178.93 1c7f h ARG 131 N 0.00 0.00 -0.01 0.86 3.08 -1.95 0.42 114.38 116.79 1c7f h ARG 131 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1c7f h ARG 131 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1c7f h ARG 131 CO 0.03 0.06 -0.08 0.00 -1.07 0.00 0.00 179.97 178.91 1c7f n ALA 132 N -2.40 2.73 -1.66 0.04 0.00 -0.65 -3.69 120.51 114.88 1c7f n ALA 132 Ca -0.03 -0.29 0.06 0.00 0.00 0.00 0.00 53.44 53.19 1c7f n ALA 132 Cb 0.15 -1.33 0.16 0.00 0.00 0.00 0.00 19.45 18.43 1c7f n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c7f n ALA 133 N -0.77 3.17 -0.16 0.00 0.00 0.11 -4.83 120.51 118.03 1c7f n ALA 133 Ca 0.17 -2.96 0.04 0.00 0.00 0.00 0.00 53.44 50.68 1c7f n ALA 133 Cb 0.27 -0.42 0.33 0.00 0.00 0.00 0.00 19.45 19.62 1c7f n ALA 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1c7f h ARG 134 N 0.79 0.79 -0.60 0.00 2.43 -1.57 -0.98 114.38 115.25 1c7f h ARG 134 Ca -0.03 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 1c7f h ARG 134 Cb 1.15 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.50 1c7f h ARG 134 CO 0.02 0.52 0.10 -0.44 -1.51 0.00 0.00 179.97 178.66 1c7f h ASP 135 N 0.82 0.92 -0.53 -3.80 3.32 -1.90 -0.90 116.42 114.35 1c7f h ASP 135 Ca 0.27 -0.20 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 1c7f h ASP 135 Cb 0.06 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1c7f h ASP 135 CO -0.08 0.92 -0.15 0.44 -1.72 0.00 0.00 179.24 178.66 1c7f h ASP 136 N 0.92 1.04 -0.12 6.45 5.19 -1.59 -1.79 116.42 126.51 1c7f h ASP 136 Ca 0.19 -0.37 -0.01 0.00 -0.62 0.00 0.00 57.03 56.22 1c7f h ASP 136 Cb 0.40 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.62 1c7f h ASP 136 CO 0.01 1.17 0.02 0.40 -3.12 0.00 0.00 179.24 177.72 1c7f h ILE 137 N 0.90 1.22 -0.67 0.35 2.04 -0.73 -1.65 117.51 118.97 1c7f h ILE 137 Ca 0.13 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 1c7f h ILE 137 Cb 0.73 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 1c7f h ILE 137 CO 0.06 0.20 0.25 0.58 0.00 0.00 0.00 178.15 179.24 1c7f h VAL 138 N -0.03 1.24 -0.48 1.67 2.07 -1.18 -0.41 116.25 119.13 1c7f h VAL 138 Ca 0.04 -0.79 0.01 0.00 0.82 0.00 0.00 66.70 66.78 1c7f h VAL 138 Cb 0.30 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1c7f h VAL 138 CO 0.00 0.31 0.30 1.23 0.02 0.00 0.00 177.57 179.44 1c7f h GLY 139 N 0.95 0.68 1.00 2.17 0.00 -1.29 -1.49 103.07 105.10 1c7f h GLY 139 Ca 0.22 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 1c7f h GLY 139 CO -0.02 0.22 0.32 -0.25 0.00 0.00 0.00 176.54 176.81 1c7f h TRP 140 N 0.62 0.96 -0.60 5.60 7.01 -0.97 -1.77 115.95 126.79 1c7f h TRP 140 Ca 0.19 -0.05 -0.04 0.00 2.11 0.00 0.00 58.89 61.10 1c7f h TRP 140 Cb -0.03 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 26.71 1c7f h TRP 140 CO -0.05 0.72 0.23 0.00 -2.79 0.00 0.00 178.44 176.54 1c7f h ALA 141 N 1.15 1.26 -0.07 2.65 0.00 -0.84 -0.69 119.26 122.72 1c7f h ALA 141 Ca 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1c7f h ALA 141 Cb 0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1c7f h ALA 141 CO -0.03 0.54 0.05 1.25 0.00 0.00 0.00 179.25 181.06 1c7f h HIS 142 N 0.87 0.09 -0.43 0.00 2.76 -1.06 -2.49 115.15 114.90 1c7f h HIS 142 Ca 0.20 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1c7f h HIS 142 Cb 0.19 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.10 1c7f h HIS 142 CO 0.01 0.07 0.28 -0.44 -1.30 0.00 0.00 177.93 176.55 1c7f h ASP 143 N 0.09 0.51 -0.33 3.26 3.32 -0.84 -1.85 116.42 120.58 1c7f h ASP 143 Ca 0.03 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1c7f h ASP 143 Cb 0.00 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1c7f h ASP 143 CO -0.01 0.39 0.13 -0.37 -1.72 0.00 0.00 179.24 177.66 1c7f h VAL 144 N 0.58 1.19 -0.85 -1.35 -1.51 -0.98 -2.34 116.25 110.99 1c7f h VAL 144 Ca 0.16 -0.58 0.08 0.00 -1.23 0.00 0.00 66.70 65.12 1c7f h VAL 144 Cb -0.04 0.96 -0.07 0.00 -2.13 0.00 0.00 31.29 30.02 1c7f h VAL 144 CO -0.03 0.20 0.51 -0.09 -1.23 0.00 0.00 177.57 176.93 1c7f h ARG 145 N 0.38 0.87 0.00 5.19 2.43 -1.39 -2.17 114.38 119.68 1c7f h ARG 145 Ca 0.11 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1c7f h ARG 145 Cb 0.20 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1c7f h ARG 145 CO -0.01 0.58 0.00 0.78 -1.51 0.00 0.00 179.97 179.81 1c7f h GLY 146 N 0.90 0.00 1.01 2.80 0.00 -1.08 -3.23 103.07 103.46 1c7f h GLY 146 Ca 0.39 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.37 1c7f h GLY 146 CO -0.20 0.00 -1.69 0.00 0.00 0.00 0.00 176.54 174.65 1c7f h ALA 147 N 2.12 0.15 -0.02 3.60 0.00 -0.86 -3.51 119.26 120.74 1c7f h ALA 147 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.80 1c7f h ALA 147 Cb 0.40 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1c7f h ALA 147 CO 0.00 1.02 0.00 0.44 0.00 0.00 0.00 179.25 180.71