#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y96 s SER 50 N 0.00 3.86 0.20 4.31 1.04 -1.26 -4.82 113.70 117.03 1y96 s SER 50 Ca 0.00 1.87 -0.11 0.00 0.48 0.00 0.00 55.95 58.19 1y96 s SER 50 Cb 0.00 -2.49 0.13 0.00 0.10 0.00 0.00 66.02 63.77 1y96 s SER 50 CO 0.00 -2.45 1.86 -0.07 0.98 0.00 0.00 173.24 173.56 1y96 h LEU 51 N -1.42 0.76 -0.78 2.42 4.07 -2.05 -1.48 115.31 116.83 1y96 h LEU 51 Ca -0.45 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.48 1y96 h LEU 51 Cb 1.25 -0.19 -0.04 0.00 1.08 0.00 0.00 40.66 42.77 1y96 h LEU 51 CO 0.49 0.55 0.41 -0.08 -1.08 0.00 0.00 178.44 178.73 1y96 h GLU 52 N 0.90 1.10 -0.40 1.13 4.81 -1.99 -2.06 114.58 118.07 1y96 h GLU 52 Ca 0.25 -0.14 -0.14 0.00 -0.13 0.00 0.00 59.36 59.21 1y96 h GLU 52 Cb -0.09 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.08 1y96 h GLU 52 CO -0.06 0.82 -0.28 1.03 -0.73 0.00 0.00 179.01 179.79 1y96 h SER 53 N 1.09 0.94 -0.67 1.04 0.87 -1.88 -1.76 113.55 113.18 1y96 h SER 53 Ca 0.27 -0.43 -0.05 0.00 -1.23 0.00 0.00 61.79 60.35 1y96 h SER 53 Cb 0.06 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.73 1y96 h SER 53 CO -0.04 1.17 0.23 1.56 -0.53 0.00 0.00 176.83 179.22 1y96 h GLN 54 N 0.71 1.02 0.00 2.24 4.20 -1.11 -1.68 115.11 120.49 1y96 h GLN 54 Ca 0.08 -0.21 -0.15 0.00 0.06 0.00 0.00 58.65 58.43 1y96 h GLN 54 Cb 0.86 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1y96 h GLN 54 CO 0.08 0.88 -0.69 1.05 -0.67 0.00 0.00 178.83 179.47 1y96 h GLU 55 N 0.96 0.00 -0.36 1.46 -0.00 -1.33 -1.67 114.58 113.64 1y96 h GLU 55 Ca 0.22 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 59.49 1y96 h GLU 55 Cb 0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.00 1y96 h GLU 55 CO -0.01 0.69 -0.12 1.96 -0.00 0.00 0.00 179.01 181.53 1y96 h GLN 56 N 0.00 0.64 -0.32 1.06 1.08 -1.11 0.68 115.11 117.13 1y96 h GLN 56 Ca -0.01 -0.20 -0.05 0.00 -1.45 0.00 0.00 58.65 56.95 1y96 h GLN 56 Cb 1.28 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.64 1y96 h GLN 56 CO 0.09 0.74 0.02 -0.09 -0.95 0.00 0.00 178.83 178.64 1y96 h ARG 57 N 0.58 0.56 -0.46 1.46 2.43 -1.02 -1.74 114.38 116.19 1y96 h ARG 57 Ca 0.10 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1y96 h ARG 57 Cb 0.54 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1y96 h ARG 57 CO 0.03 0.67 0.28 0.00 -1.51 0.00 0.00 179.97 179.45 1y96 h ALA 58 N 0.86 0.59 -0.19 2.80 0.00 -1.13 -2.87 119.26 119.32 1y96 h ALA 58 Ca 0.09 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1y96 h ALA 58 Cb 0.41 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1y96 h ALA 58 CO 0.01 0.07 0.01 -0.09 0.00 0.00 0.00 179.25 179.25 1y96 h ARG 59 N 0.61 0.07 -0.63 0.00 2.43 -0.76 -0.16 114.38 115.94 1y96 h ARG 59 Ca 0.17 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.38 1y96 h ARG 59 Cb -0.01 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 1y96 h ARG 59 CO -0.03 0.04 0.36 0.00 -1.51 0.00 0.00 179.97 178.83 1y96 h ALA 60 N 1.15 0.84 -0.36 2.80 0.00 -1.28 -0.36 119.26 122.05 1y96 h ALA 60 Ca 0.09 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1y96 h ALA 60 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1y96 h ALA 60 CO -0.14 0.05 -0.24 0.00 0.00 0.00 0.00 179.25 178.92 1y96 h ALA 61 N 1.32 0.52 -0.31 0.00 0.00 -1.24 -1.47 119.26 118.07 1y96 h ALA 61 Ca 0.28 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1y96 h ALA 61 Cb 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1y96 h ALA 61 CO -0.16 0.51 0.17 -0.07 0.00 0.00 0.00 179.25 179.69 1y96 h LEU 62 N 0.59 0.39 -0.31 0.00 3.38 -0.90 -2.49 115.31 115.96 1y96 h LEU 62 Ca 0.07 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1y96 h LEU 62 Cb 0.81 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1y96 h LEU 62 CO 0.07 0.37 0.11 -0.09 0.09 0.00 0.00 178.44 178.99 1y96 h ARG 63 N 0.38 0.48 -0.49 1.13 9.65 -1.03 -1.60 114.38 122.89 1y96 h ARG 63 Ca 0.11 -0.09 0.03 0.00 -1.10 0.00 0.00 59.98 58.93 1y96 h ARG 63 Cb 0.07 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.54 1y96 h ARG 63 CO -0.02 0.50 0.27 1.49 2.80 0.00 0.00 179.97 185.01 1y96 h GLU 64 N 0.35 0.51 -0.49 0.20 4.81 -1.27 -1.13 114.58 117.56 1y96 h GLU 64 Ca 0.10 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1y96 h GLU 64 Cb 0.22 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1y96 h GLU 64 CO -0.01 0.34 0.09 0.00 -0.73 0.00 0.00 179.01 178.70 1y96 h ARG 65 N 0.52 0.76 -0.25 1.92 2.47 -1.32 -1.71 114.38 116.77 1y96 h ARG 65 Ca 0.20 -0.16 -0.04 0.00 -1.26 0.00 0.00 59.98 58.72 1y96 h ARG 65 Cb 0.07 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 1y96 h ARG 65 CO -0.12 0.71 -0.01 -0.92 0.56 0.00 0.00 179.97 180.19 1y96 h TYR 66 N 0.73 0.49 -0.54 3.04 3.20 -0.65 -1.97 116.97 121.26 1y96 h TYR 66 Ca 0.16 -0.09 -0.09 0.00 3.14 0.00 0.00 58.73 61.85 1y96 h TYR 66 Cb 0.32 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 1y96 h TYR 66 CO 0.02 0.62 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.06 1y96 h LEU 67 N 0.22 0.92 -1.17 2.82 3.38 -1.04 -2.07 115.31 118.37 1y96 h LEU 67 Ca 0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1y96 h LEU 67 Cb 0.43 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1y96 h LEU 67 CO 0.01 0.99 0.38 0.03 0.09 0.00 0.00 178.44 179.95 1y96 h ARG 68 N 0.86 0.96 -0.20 1.13 3.08 -1.27 -0.75 114.38 118.20 1y96 h ARG 68 Ca 0.16 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 1y96 h ARG 68 Cb 0.54 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1y96 h ARG 68 CO 0.03 0.70 -0.27 0.66 -1.07 0.00 0.00 179.97 180.02 1y96 h SER 69 N 0.97 0.37 -0.12 7.04 4.64 -0.72 -1.84 113.55 123.89 1y96 h SER 69 Ca 0.25 -0.12 -0.22 0.00 -0.47 0.00 0.00 61.79 61.22 1y96 h SER 69 Cb 0.02 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1y96 h SER 69 CO -0.04 0.64 -0.77 -0.07 -0.87 0.00 0.00 176.83 175.72 1y96 h LEU 70 N 0.33 0.91 -1.08 5.97 3.38 -0.94 -3.02 115.31 120.86 1y96 h LEU 70 Ca 0.05 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 1y96 h LEU 70 Cb 0.65 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1y96 h LEU 70 CO 0.05 1.39 0.46 -0.07 0.09 0.00 0.00 178.44 180.36 1y96 h LEU 71 N 0.52 0.97 -1.75 1.67 3.38 -0.98 -2.02 115.31 117.10 1y96 h LEU 71 Ca -0.05 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1y96 h LEU 71 Cb 1.40 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 1y96 h LEU 71 CO 0.16 0.76 -0.00 0.00 0.09 0.00 0.00 178.44 179.45 1y96 h ALA 72 N 1.40 1.00 0.00 1.53 0.00 -1.31 -2.66 119.26 119.22 1y96 h ALA 72 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1y96 h ALA 72 Cb -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1y96 h ALA 72 CO -0.05 0.00 -0.31 -0.12 0.00 0.00 0.00 179.25 178.77 1y96 n MET 73 N -3.09 0.12 -1.80 0.00 0.00 -0.77 -4.90 117.12 106.69 1y96 n MET 73 Ca -0.00 0.06 -0.42 0.00 -0.00 0.00 0.00 57.70 57.34 1y96 n MET 73 Cb 0.26 -1.60 -0.03 0.00 0.00 0.00 0.00 33.22 31.85 1y96 n MET 73 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1y96 s VAL 74 N -3.06 2.20 0.00 1.12 1.01 -1.01 -2.09 120.40 118.57 1y96 s VAL 74 Ca 0.11 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1y96 s VAL 74 Cb 0.16 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1y96 s VAL 74 CO 0.64 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.37 1y96 n GLY 75 N 3.41 0.71 3.93 4.51 0.00 0.83 -5.01 105.19 113.57 1y96 n GLY 75 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1y96 n GLY 75 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1y96 s HIS 76 N -2.85 3.50 0.05 1.61 3.76 -0.89 -4.83 115.29 115.64 1y96 s HIS 76 Ca 0.00 0.22 -0.31 0.00 -0.15 0.00 0.00 55.06 54.83 1y96 s HIS 76 Cb 0.00 -1.75 -0.06 0.00 1.11 0.00 0.00 32.58 31.88 1y96 s HIS 76 CO 0.00 0.53 1.34 -1.14 -0.85 0.00 0.00 174.74 174.63 1y96 s GLN 77 N -2.87 4.33 -0.08 1.40 2.00 -1.26 -1.73 119.66 121.45 1y96 s GLN 77 Ca 0.35 1.95 0.03 0.00 -2.00 0.00 0.00 55.36 55.69 1y96 s GLN 77 Cb -0.12 -3.40 0.01 0.00 0.80 0.00 0.00 33.01 30.30 1y96 s GLN 77 CO 0.28 -0.45 -0.16 0.08 -0.50 0.00 0.00 175.29 174.54 1y96 s VAL 78 N 1.62 1.44 -0.29 1.34 1.01 0.02 -4.56 120.40 120.99 1y96 s VAL 78 Ca 0.63 -0.66 -0.19 0.00 0.00 0.00 0.00 61.98 61.75 1y96 s VAL 78 Cb -0.33 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 1y96 s VAL 78 CO 0.28 0.42 0.57 -0.44 0.00 0.00 0.00 175.10 175.93 1y96 s SER 79 N 0.54 6.46 -0.13 3.32 0.01 0.20 -1.04 113.70 123.06 1y96 s SER 79 Ca -0.16 0.44 -0.10 0.00 1.31 0.00 0.00 55.95 57.45 1y96 s SER 79 Cb -0.16 -2.30 -0.05 0.00 0.21 0.00 0.00 66.02 63.72 1y96 s SER 79 CO 0.05 -0.39 0.19 -0.36 0.41 0.00 0.00 173.24 173.15 1y96 s PHE 80 N 2.45 3.56 -0.28 2.43 0.40 0.54 -0.97 117.98 126.11 1y96 s PHE 80 Ca 0.23 0.56 -0.06 0.00 -0.60 0.00 0.00 56.93 57.05 1y96 s PHE 80 Cb -0.15 -2.09 0.00 0.00 0.51 0.00 0.00 43.02 41.29 1y96 s PHE 80 CO 0.11 0.56 0.06 0.99 0.70 0.00 0.00 175.22 177.64 1y96 s THR 81 N -0.54 3.88 0.41 0.64 2.01 0.30 -1.93 115.64 120.41 1y96 s THR 81 Ca 0.15 -0.64 0.08 0.00 0.31 0.00 0.00 61.69 61.58 1y96 s THR 81 Cb -0.13 -2.96 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 1y96 s THR 81 CO 0.04 0.14 0.34 -0.76 -0.69 0.00 0.00 174.62 173.69 1y96 s LEU 82 N 1.50 3.35 0.87 4.42 1.02 0.50 -0.47 118.68 129.87 1y96 s LEU 82 Ca 0.03 -0.79 -0.11 0.00 0.02 0.00 0.00 54.13 53.28 1y96 s LEU 82 Cb -0.17 -1.96 0.12 0.00 0.02 0.00 0.00 46.19 44.21 1y96 s LEU 82 CO 0.02 -0.62 1.16 -1.00 0.02 0.00 0.00 176.35 175.92 1y96 s HIS 83 N -2.49 1.74 -1.78 0.29 3.76 -0.54 -3.44 115.29 112.83 1y96 s HIS 83 Ca 0.47 1.74 0.00 0.00 -0.15 0.00 0.00 55.06 57.12 1y96 s HIS 83 Cb -0.02 -3.37 0.00 0.00 1.11 0.00 0.00 32.58 30.30 1y96 s HIS 83 CO 0.27 -2.75 0.00 0.39 -0.85 0.00 0.00 174.74 171.80 1y96 n GLU 84 N -3.88 -1.56 -1.13 1.40 -0.58 -1.26 -3.27 120.64 110.35 1y96 n GLU 84 Ca 0.12 1.01 -0.04 0.00 -0.42 0.00 0.00 57.16 57.83 1y96 n GLU 84 Cb 0.52 -5.58 -0.02 0.00 -0.57 0.00 0.00 31.44 25.79 1y96 n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1y96 n GLY 85 N -0.93 0.67 3.70 0.62 0.00 -1.22 -4.98 105.19 103.04 1y96 n GLY 85 Ca -0.23 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1y96 n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y96 s VAL 86 N -1.92 4.83 -0.10 1.61 1.01 -1.20 -4.93 120.40 119.70 1y96 s VAL 86 Ca 0.00 2.03 0.03 0.00 0.00 0.00 0.00 61.98 64.04 1y96 s VAL 86 Cb 0.00 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 1y96 s VAL 86 CO 0.00 0.09 -0.19 -0.13 0.00 0.00 0.00 175.10 174.86 1y96 s ARG 87 N 1.49 3.04 -0.01 2.72 3.00 -1.26 -0.37 118.95 127.56 1y96 s ARG 87 Ca 0.50 -0.80 -0.10 0.00 0.00 0.00 0.00 55.73 55.33 1y96 s ARG 87 Cb -0.20 -2.40 0.01 0.00 0.00 0.00 0.00 34.95 32.36 1y96 s ARG 87 CO 0.23 0.27 0.20 0.54 0.00 0.00 0.00 175.30 176.53 1y96 s VAL 88 N 0.16 0.07 -0.10 3.52 0.11 -0.81 -5.02 120.40 118.32 1y96 s VAL 88 Ca -0.11 -0.54 0.03 0.00 -2.93 0.00 0.00 61.98 58.43 1y96 s VAL 88 Cb -0.16 -0.47 -0.00 0.00 -1.53 0.00 0.00 36.38 34.22 1y96 s VAL 88 CO 0.06 -0.30 -0.22 0.00 -3.33 0.00 0.00 175.10 171.31 1y96 s ALA 89 N -1.18 2.25 0.07 1.54 0.00 -1.26 -0.34 121.76 122.84 1y96 s ALA 89 Ca -0.13 -0.96 -0.19 0.00 0.00 0.00 0.00 51.96 50.68 1y96 s ALA 89 Cb -0.06 -0.87 0.04 0.00 0.00 0.00 0.00 23.12 22.23 1y96 s ALA 89 CO 0.02 0.29 0.46 0.00 0.00 0.00 0.00 175.76 176.53 1y96 s ALA 90 N 0.31 -1.13 0.08 0.00 0.00 -0.21 -4.92 121.76 115.89 1y96 s ALA 90 Ca -0.17 0.32 -0.31 0.00 0.00 0.00 0.00 51.96 51.81 1y96 s ALA 90 Cb -0.17 0.49 -0.07 0.00 0.00 0.00 0.00 23.12 23.36 1y96 s ALA 90 CO 0.08 -0.54 1.33 -1.01 0.00 0.00 0.00 175.76 175.62 1y96 s HIS 91 N -2.91 3.27 -0.22 0.00 3.76 0.42 -0.80 115.29 118.81 1y96 s HIS 91 Ca -0.03 1.05 -0.16 0.00 -0.15 0.00 0.00 55.06 55.77 1y96 s HIS 91 Cb -0.00 -3.59 -0.04 0.00 1.11 0.00 0.00 32.58 30.06 1y96 s HIS 91 CO -0.05 -2.03 0.42 0.12 -0.85 0.00 0.00 174.74 172.35 1y96 s PHE 92 N 1.23 3.35 -0.23 1.40 5.36 -0.71 -0.96 117.98 127.42 1y96 s PHE 92 Ca 0.63 0.61 -0.06 0.00 -0.96 0.00 0.00 56.93 57.14 1y96 s PHE 92 Cb -0.34 -2.57 -0.12 0.00 -0.34 0.00 0.00 43.02 39.65 1y96 s PHE 92 CO 0.29 -0.08 -0.26 0.41 -1.46 0.00 0.00 175.22 174.13 1y96 n GLY 93 N 4.06 -0.35 3.75 13.12 0.00 0.20 -0.12 105.19 125.85 1y96 n GLY 93 Ca -0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 46.02 45.81 1y96 n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y96 s ALA 94 N -2.44 -1.99 0.35 4.61 0.00 -1.17 -4.75 121.76 116.37 1y96 s ALA 94 Ca -0.32 0.27 0.09 0.00 0.00 0.00 0.00 51.96 52.00 1y96 s ALA 94 Cb 0.11 0.58 -0.06 0.00 0.00 0.00 0.00 23.12 23.75 1y96 s ALA 94 CO 0.46 -1.07 -0.01 0.95 0.00 0.00 0.00 175.76 176.09 1y96 s THR 95 N -2.57 2.47 1.11 0.00 -4.23 -1.26 0.24 115.64 111.40 1y96 s THR 95 Ca 0.17 -2.02 -0.18 0.00 -1.18 0.00 0.00 61.69 58.47 1y96 s THR 95 Cb 0.01 -2.78 0.26 0.00 1.34 0.00 0.00 72.50 71.33 1y96 s THR 95 CO -0.00 -0.18 1.22 1.51 -0.54 0.00 0.00 174.62 176.63 1y96 s ASP 96 N -3.70 1.76 0.27 3.99 1.47 -1.16 -4.93 116.67 114.37 1y96 s ASP 96 Ca 0.34 0.40 0.01 0.00 1.18 0.00 0.00 52.55 54.48 1y96 s ASP 96 Cb 0.01 -0.49 0.36 0.00 -0.34 0.00 0.00 42.92 42.46 1y96 s ASP 96 CO 0.19 -3.58 1.71 0.25 0.68 0.00 0.00 175.17 174.41 1y96 h LEU 97 N -2.22 0.57 -1.22 2.11 7.12 -2.01 -2.51 115.31 117.15 1y96 h LEU 97 Ca -0.44 -0.19 0.00 0.00 0.13 0.00 0.00 57.88 57.38 1y96 h LEU 97 Cb 1.26 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.23 1y96 h LEU 97 CO 0.33 0.79 0.00 -0.67 -0.13 0.00 0.00 178.44 178.76 1y96 n ASP 98 N -4.13 1.81 -3.95 1.25 4.64 -1.26 -4.95 116.55 109.96 1y96 n ASP 98 Ca -0.00 -1.80 -0.26 0.00 -1.38 0.00 0.00 54.79 51.35 1y96 n ASP 98 Cb 0.40 -0.15 -0.01 0.00 -1.04 0.00 0.00 41.12 40.32 1y96 n ASP 98 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 1y96 n VAL 99 N 0.43 -2.95 0.05 5.18 0.31 -0.95 -4.89 118.33 115.51 1y96 n VAL 99 Ca 0.15 -0.41 0.11 0.00 -0.01 0.00 0.00 64.34 64.19 1y96 n VAL 99 Cb 0.33 -2.71 -0.13 0.00 -0.91 0.00 0.00 33.84 30.42 1y96 n VAL 99 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1y96 n ALA 100 N -4.40 2.81 -2.83 3.52 0.00 -1.26 -4.87 120.51 113.48 1y96 n ALA 100 Ca -0.24 -0.46 -0.14 0.00 0.00 0.00 0.00 53.44 52.60 1y96 n ALA 100 Cb 0.65 -0.83 -0.13 0.00 0.00 0.00 0.00 19.45 19.14 1y96 n ALA 100 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1y96 s ASN 101 N -4.64 0.57 -0.20 0.00 0.01 -1.26 -1.40 114.94 108.02 1y96 s ASN 101 Ca -0.06 -0.26 -0.07 0.00 -0.71 0.00 0.00 52.86 51.76 1y96 s ASN 101 Cb 0.13 -0.01 -0.04 0.00 0.41 0.00 0.00 41.25 41.74 1y96 s ASN 101 CO 0.88 -0.06 0.05 -0.36 -1.51 0.00 0.00 177.10 176.11 1y96 s PHE 102 N -0.61 3.18 -0.08 2.20 0.40 0.44 -2.98 117.98 120.53 1y96 s PHE 102 Ca -0.04 -0.08 -0.25 0.00 -0.60 0.00 0.00 56.93 55.96 1y96 s PHE 102 Cb -0.05 -2.11 -0.03 0.00 0.51 0.00 0.00 43.02 41.35 1y96 s PHE 102 CO -0.00 0.01 0.80 -0.47 0.70 0.00 0.00 175.22 176.26 1y96 s TYR 103 N 0.67 3.55 0.01 0.36 5.04 0.14 -0.84 117.35 126.28 1y96 s TYR 103 Ca 0.03 1.35 0.00 0.00 -2.44 0.00 0.00 57.07 56.01 1y96 s TYR 103 Cb -0.13 -2.94 -0.01 0.00 0.35 0.00 0.00 41.96 39.23 1y96 s TYR 103 CO 0.02 -0.03 -0.02 0.08 -1.34 0.00 0.00 175.55 174.26 1y96 s VAL 104 N 1.24 0.07 0.11 3.14 1.01 -0.76 -0.63 120.40 124.59 1y96 s VAL 104 Ca 0.41 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.99 1y96 s VAL 104 Cb -0.18 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1y96 s VAL 104 CO 0.19 -0.24 -0.13 -0.94 0.00 0.00 0.00 175.10 173.97 1y96 s SER 105 N -0.72 1.89 -0.13 3.32 1.04 -0.13 -1.51 113.70 117.46 1y96 s SER 105 Ca -0.08 -0.79 -0.05 0.00 0.48 0.00 0.00 55.95 55.51 1y96 s SER 105 Cb -0.05 -0.06 0.06 0.00 0.10 0.00 0.00 66.02 66.08 1y96 s SER 105 CO -0.00 -0.16 0.27 -1.58 0.98 0.00 0.00 173.24 172.75 1y96 s GLN 106 N -2.61 0.16 -0.00 4.02 0.74 -0.52 -0.44 119.66 121.02 1y96 s GLN 106 Ca 0.07 0.75 -0.30 0.00 0.05 0.00 0.00 55.36 55.93 1y96 s GLN 106 Cb -0.05 -0.02 -0.06 0.00 1.10 0.00 0.00 33.01 33.98 1y96 s GLN 106 CO 0.02 -0.27 1.42 -1.17 -0.55 0.00 0.00 175.29 174.74 1y96 s LEU 107 N 2.34 4.32 -0.84 3.68 2.96 -1.26 -1.60 118.68 128.27 1y96 s LEU 107 Ca 0.00 2.13 -0.22 0.00 -0.22 0.00 0.00 54.13 55.83 1y96 s LEU 107 Cb -0.12 -3.56 0.09 0.00 0.50 0.00 0.00 46.19 43.10 1y96 s LEU 107 CO -0.09 -0.74 1.15 -1.10 -1.32 0.00 0.00 176.35 174.26 1y96 s GLN 108 N 2.48 3.40 0.20 1.98 -1.52 0.23 -4.92 119.66 121.52 1y96 s GLN 108 Ca 0.64 -1.18 -0.08 0.00 -1.95 0.00 0.00 55.36 52.79 1y96 s GLN 108 Cb -0.32 -4.71 0.12 0.00 -0.22 0.00 0.00 33.01 27.89 1y96 s GLN 108 CO 0.27 -1.91 1.73 0.00 -0.25 0.00 0.00 175.29 175.12 1y96 h THR 109 N 6.09 1.26 0.00 -0.19 1.03 -1.92 0.02 112.91 119.20 1y96 h THR 109 Ca -0.02 -0.94 -0.03 0.00 -0.01 0.00 0.00 66.41 65.41 1y96 h THR 109 Cb 1.04 0.48 -0.00 0.00 -1.07 0.00 0.00 68.15 68.60 1y96 h THR 109 CO 1.21 0.37 -0.14 -0.65 -0.01 0.00 0.00 175.52 176.30 1y96 h PRO 110 N 1.09 0.00 -0.01 0.00 0.11 -1.98 -3.18 132.00 128.03 1y96 h PRO 110 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1y96 h PRO 110 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1y96 h PRO 110 CO -0.00 0.14 -0.13 0.44 -0.21 0.00 0.00 178.00 178.23 1y96 n ILE 111 N -4.32 0.00 -2.85 4.15 -5.35 -0.94 -5.02 119.36 105.04 1y96 n ILE 111 Ca -0.03 -0.43 -0.20 0.00 -0.27 0.00 0.00 62.75 61.82 1y96 n ILE 111 Cb 0.21 1.12 0.03 0.00 -1.74 0.00 0.00 39.64 39.26 1y96 n ILE 111 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1y96 n GLY 112 N 0.75 -0.42 3.42 3.28 0.00 -0.05 -5.01 105.19 107.16 1y96 n GLY 112 Ca 0.04 0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1y96 n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y96 s VAL 113 N -3.10 4.08 -0.25 1.61 1.01 -1.14 -4.94 120.40 117.67 1y96 s VAL 113 Ca 0.23 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 1y96 s VAL 113 Cb -0.10 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1y96 s VAL 113 CO 0.28 0.37 1.15 -1.58 0.00 0.00 0.00 175.10 175.32 1y96 s GLN 114 N 1.46 4.14 0.15 2.72 2.00 -1.26 -0.60 119.66 128.27 1y96 s GLN 114 Ca 0.05 1.33 0.03 0.00 -2.00 0.00 0.00 55.36 54.77 1y96 s GLN 114 Cb -0.15 -3.74 -0.04 0.00 0.80 0.00 0.00 33.01 29.89 1y96 s GLN 114 CO 0.02 -0.81 0.24 0.00 -0.50 0.00 0.00 175.29 174.23 1y96 s ALA 115 N 3.61 3.86 0.04 1.58 0.00 -0.63 -4.98 121.76 125.24 1y96 s ALA 115 Ca 0.49 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1y96 s ALA 115 Cb -0.16 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 1y96 s ALA 115 CO 0.14 0.55 -0.04 -1.21 0.00 0.00 0.00 175.76 175.19 1y96 s GLU 116 N -3.14 0.45 0.10 0.00 2.02 -1.26 -1.43 118.70 115.43 1y96 s GLU 116 Ca 0.33 -0.80 -0.25 0.00 0.02 0.00 0.00 54.97 54.27 1y96 s GLU 116 Cb -0.11 0.02 0.08 0.00 0.10 0.00 0.00 34.13 34.22 1y96 s GLU 116 CO 0.27 -0.04 0.78 0.00 0.02 0.00 0.00 175.26 176.30 1y96 s ALA 117 N -2.05 -1.66 -0.23 5.21 0.00 -0.57 -5.00 121.76 117.46 1y96 s ALA 117 Ca -0.09 0.57 -0.07 0.00 0.00 0.00 0.00 51.96 52.37 1y96 s ALA 117 Cb -0.06 0.66 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 1y96 s ALA 117 CO -0.03 -0.81 0.06 -0.51 0.00 0.00 0.00 175.76 174.48 1y96 s LEU 118 N -2.69 3.46 -0.12 0.00 1.43 -1.26 -1.82 118.68 117.68 1y96 s LEU 118 Ca 0.05 -0.17 -0.15 0.00 -1.03 0.00 0.00 54.13 52.83 1y96 s LEU 118 Cb -0.02 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 1y96 s LEU 118 CO -0.07 0.00 0.37 -0.76 0.23 0.00 0.00 176.35 176.13 1y96 s LEU 119 N 1.39 4.29 -0.01 1.79 1.43 -0.02 -4.93 118.68 122.62 1y96 s LEU 119 Ca 0.05 0.68 -0.26 0.00 -1.03 0.00 0.00 54.13 53.58 1y96 s LEU 119 Cb -0.15 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 1y96 s LEU 119 CO 0.03 0.10 0.80 -0.13 0.23 0.00 0.00 176.35 177.39 1y96 s ARG 120 N 0.27 4.50 0.55 1.70 0.52 -1.26 -0.42 118.95 124.81 1y96 s ARG 120 Ca 0.21 1.09 0.22 0.00 -0.52 0.00 0.00 55.73 56.73 1y96 s ARG 120 Cb -0.14 -3.43 1.46 0.00 0.52 0.00 0.00 34.95 33.36 1y96 s ARG 120 CO 0.08 0.09 2.16 0.00 0.02 0.00 0.00 175.30 177.65 1y96 h SER 122 N 0.00 0.00 0.43 0.00 4.64 -1.93 -2.17 113.55 114.53 1y96 h SER 122 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1y96 h SER 122 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1y96 h SER 122 CO -0.00 0.14 -0.61 0.47 -0.87 0.00 0.00 176.83 175.97 1y96 n ASP 123 N -3.69 0.59 -4.76 4.97 8.00 -0.39 -4.93 116.55 116.34 1y96 n ASP 123 Ca -0.02 -0.35 -0.39 0.00 0.71 0.00 0.00 54.79 54.75 1y96 n ASP 123 Cb 0.26 0.39 -0.06 0.00 -0.02 0.00 0.00 41.12 41.69 1y96 n ASP 123 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1y96 s ILE 124 N -3.01 4.98 -0.19 0.53 1.01 -0.82 -1.47 121.20 122.22 1y96 s ILE 124 Ca 0.10 1.15 -0.17 0.00 0.00 0.00 0.00 60.65 61.73 1y96 s ILE 124 Cb 0.17 -3.89 -0.13 0.00 0.01 0.00 0.00 42.46 38.62 1y96 s ILE 124 CO 0.73 0.42 0.03 -0.38 0.00 0.00 0.00 174.94 175.74 1y96 n ILE 125 N 2.82 1.49 -3.86 2.92 5.41 0.38 -4.91 119.36 123.61 1y96 n ILE 125 Ca -0.08 0.04 -0.09 0.00 1.00 0.00 0.00 62.75 63.62 1y96 n ILE 125 Cb 0.51 -2.16 -0.07 0.00 -0.71 0.00 0.00 39.64 37.22 1y96 n ILE 125 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1y96 s SER 126 N -6.49 0.02 -0.00 4.38 1.04 -1.00 -5.02 113.70 106.63 1y96 s SER 126 Ca -0.25 -0.68 0.01 0.00 0.48 0.00 0.00 55.95 55.51 1y96 s SER 126 Cb 0.05 0.41 -0.00 0.00 0.10 0.00 0.00 66.02 66.58 1y96 s SER 126 CO 0.45 -0.83 -0.03 -0.72 0.98 0.00 0.00 173.24 173.09 1y96 s TYR 127 N -3.90 0.30 0.02 5.02 -0.85 -1.26 -0.54 117.35 116.15 1y96 s TYR 127 Ca 0.10 -0.07 0.03 0.00 -0.52 0.00 0.00 57.07 56.60 1y96 s TYR 127 Cb 0.03 -0.20 -0.01 0.00 0.38 0.00 0.00 41.96 42.16 1y96 s TYR 127 CO -0.06 -0.01 -0.08 0.99 -1.52 0.00 0.00 175.55 174.87 1y96 s THR 128 N -0.11 0.62 0.27 -3.49 2.01 -0.14 -4.98 115.64 109.82 1y96 s THR 128 Ca 0.01 -0.69 -0.09 0.00 0.31 0.00 0.00 61.69 61.23 1y96 s THR 128 Cb -0.01 -0.59 -0.01 0.00 0.01 0.00 0.00 72.50 71.90 1y96 s THR 128 CO -0.00 -0.07 0.44 0.72 -0.69 0.00 0.00 174.62 175.02 1y96 s PHE 129 N -0.72 0.64 -0.23 4.92 -0.12 -1.26 -0.63 117.98 120.59 1y96 s PHE 129 Ca -0.02 -0.96 -0.00 0.00 -0.05 0.00 0.00 56.93 55.89 1y96 s PHE 129 Cb -0.06 0.04 0.03 0.00 -0.63 0.00 0.00 43.02 42.40 1y96 s PHE 129 CO 0.00 -1.01 -0.10 0.15 -0.05 0.00 0.00 175.22 174.22 1y96 s LYS 130 N -3.72 2.79 0.00 1.99 1.02 -1.26 -5.09 119.74 115.47 1y96 s LYS 130 Ca 0.26 -0.99 0.06 0.00 0.02 0.00 0.00 55.97 55.33 1y96 s LYS 130 Cb 0.00 -2.87 0.38 0.00 -0.52 0.00 0.00 37.83 34.82 1y96 s LYS 130 CO 0.12 -0.38 0.84 -2.30 -0.92 0.00 0.00 175.35 172.72