#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y96 s GLN 48 N 0.00 4.27 0.25 0.00 0.74 -1.26 -5.01 119.66 118.65 1y96 s GLN 48 Ca 0.00 1.51 -0.30 0.00 0.05 0.00 0.00 55.36 56.62 1y96 s GLN 48 Cb 0.00 -3.67 -0.09 0.00 1.10 0.00 0.00 33.01 30.35 1y96 s GLN 48 CO 0.00 -0.61 1.05 -2.00 -0.55 0.00 0.00 175.29 173.18 1y96 s GLU 49 N 3.10 4.70 0.22 1.67 2.12 -1.26 -4.98 118.70 124.28 1y96 s GLU 49 Ca 0.50 1.69 -0.30 0.00 0.36 0.00 0.00 54.97 57.21 1y96 s GLU 49 Cb -0.19 -3.23 -0.15 0.00 0.26 0.00 0.00 34.13 30.82 1y96 s GLU 49 CO 0.12 0.29 0.99 0.45 -0.54 0.00 0.00 175.26 176.57 1y96 n SER 50 N 1.48 0.89 0.21 -1.70 2.88 -1.26 -4.85 113.62 111.26 1y96 n SER 50 Ca -0.01 1.16 0.07 0.00 -1.33 0.00 0.00 58.87 58.76 1y96 n SER 50 Cb 0.46 -1.20 0.46 0.00 -0.75 0.00 0.00 64.21 63.17 1y96 n SER 50 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1y96 h LEU 51 N 2.38 0.00 -0.58 2.46 3.38 -1.99 -2.35 115.31 118.61 1y96 h LEU 51 Ca -0.39 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 1y96 h LEU 51 Cb 1.36 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.08 1y96 h LEU 51 CO 0.64 0.30 0.31 -0.08 0.09 0.00 0.00 178.44 179.69 1y96 h GLU 52 N 0.00 0.81 -0.31 1.13 4.81 -1.99 0.95 114.58 119.98 1y96 h GLU 52 Ca -0.00 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 1y96 h GLU 52 Cb 0.65 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1y96 h GLU 52 CO 0.04 0.62 -0.01 1.03 -0.73 0.00 0.00 179.01 179.96 1y96 h SER 53 N 0.78 0.55 -0.66 1.04 0.87 -1.86 -1.94 113.55 112.32 1y96 h SER 53 Ca 0.20 -0.32 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 1y96 h SER 53 Cb 0.06 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.84 1y96 h SER 53 CO -0.03 0.73 0.39 1.56 -0.53 0.00 0.00 176.83 178.94 1y96 h GLN 54 N 0.35 0.90 -0.55 2.24 4.20 -1.22 -1.80 115.11 119.23 1y96 h GLN 54 Ca 0.09 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1y96 h GLN 54 Cb 0.45 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 1y96 h GLN 54 CO 0.02 0.66 0.31 0.93 -0.67 0.00 0.00 178.83 180.07 1y96 h GLU 55 N 0.90 0.77 -0.30 1.46 5.08 -0.75 -1.78 114.58 119.95 1y96 h GLU 55 Ca 0.24 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.38 1y96 h GLU 55 Cb -0.01 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1y96 h GLU 55 CO -0.04 0.58 -0.35 1.96 -1.00 0.00 0.00 179.01 180.16 1y96 h GLN 56 N 0.74 0.67 -0.51 2.33 1.08 -1.06 -0.06 115.11 118.30 1y96 h GLN 56 Ca 0.19 -0.32 -0.07 0.00 -1.45 0.00 0.00 58.65 57.00 1y96 h GLN 56 Cb 0.04 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 1y96 h GLN 56 CO -0.03 0.93 0.03 -0.09 -0.95 0.00 0.00 178.83 178.72 1y96 h ARG 57 N 0.56 0.89 -0.53 1.46 2.43 -1.23 -1.06 114.38 116.90 1y96 h ARG 57 Ca 0.06 -0.27 -0.07 0.00 -0.81 0.00 0.00 59.98 58.89 1y96 h ARG 57 Cb 0.87 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.31 1y96 h ARG 57 CO 0.08 0.90 0.04 0.00 -1.51 0.00 0.00 179.97 179.47 1y96 h ALA 58 N 0.95 1.07 -0.44 2.80 0.00 -1.12 -1.73 119.26 120.80 1y96 h ALA 58 Ca 0.15 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1y96 h ALA 58 Cb 0.48 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1y96 h ALA 58 CO 0.02 0.59 0.25 -0.09 0.00 0.00 0.00 179.25 180.02 1y96 h ARG 59 N 0.82 0.48 -0.49 0.00 2.43 -0.72 -0.81 114.38 116.08 1y96 h ARG 59 Ca 0.16 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1y96 h ARG 59 Cb 0.43 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1y96 h ARG 59 CO 0.02 0.32 0.26 0.00 -1.51 0.00 0.00 179.97 179.05 1y96 h ALA 60 N 1.21 0.63 -0.48 2.80 0.00 -0.88 -0.83 119.26 121.71 1y96 h ALA 60 Ca 0.18 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1y96 h ALA 60 Cb 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1y96 h ALA 60 CO -0.10 0.17 0.14 0.00 0.00 0.00 0.00 179.25 179.45 1y96 h ALA 61 N 1.10 0.63 -0.79 0.00 0.00 -1.09 -0.59 119.26 118.52 1y96 h ALA 61 Ca 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1y96 h ALA 61 Cb 0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1y96 h ALA 61 CO -0.03 0.30 0.42 -0.07 0.00 0.00 0.00 179.25 179.87 1y96 h LEU 62 N 0.64 1.01 -0.30 0.00 3.38 -1.06 -2.29 115.31 116.70 1y96 h LEU 62 Ca 0.15 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 1y96 h LEU 62 Cb 0.29 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1y96 h LEU 62 CO -0.00 0.83 -0.43 -0.09 0.09 0.00 0.00 178.44 178.84 1y96 h ARG 63 N 1.11 0.81 -0.74 1.13 9.65 -0.94 -1.74 114.38 123.67 1y96 h ARG 63 Ca 0.28 -0.48 -0.03 0.00 -1.10 0.00 0.00 59.98 58.65 1y96 h ARG 63 Cb 0.06 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.65 1y96 h ARG 63 CO -0.04 1.11 0.35 1.49 2.80 0.00 0.00 179.97 185.68 1y96 h GLU 64 N 0.58 1.06 -0.59 0.20 4.22 -0.96 -0.54 114.58 118.57 1y96 h GLU 64 Ca 0.03 -0.16 -0.08 0.00 0.08 0.00 0.00 59.36 59.24 1y96 h GLU 64 Cb 1.03 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1y96 h GLU 64 CO 0.10 0.83 0.07 0.00 -2.18 0.00 0.00 179.01 177.83 1y96 h ARG 65 N 1.03 0.97 -0.35 1.92 3.08 -1.33 -1.46 114.38 118.24 1y96 h ARG 65 Ca 0.25 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1y96 h ARG 65 Cb 0.12 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1y96 h ARG 65 CO -0.03 0.91 0.04 -0.92 -1.07 0.00 0.00 179.97 178.90 1y96 h TYR 66 N 0.90 0.64 -0.76 3.04 3.20 -0.54 -1.34 116.97 122.11 1y96 h TYR 66 Ca 0.18 -0.10 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 1y96 h TYR 66 Cb 0.44 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 1y96 h TYR 66 CO 0.03 0.67 0.25 -0.07 -1.64 0.00 0.00 178.16 177.40 1y96 h LEU 67 N 0.43 1.09 -0.74 2.82 3.38 -0.98 -1.51 115.31 119.81 1y96 h LEU 67 Ca 0.11 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.92 1y96 h LEU 67 Cb 0.38 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1y96 h LEU 67 CO 0.01 1.00 0.45 -0.09 0.09 0.00 0.00 178.44 179.90 1y96 h ARG 68 N 1.13 0.83 -0.56 1.13 2.43 -1.05 -0.01 114.38 118.28 1y96 h ARG 68 Ca 0.25 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.31 1y96 h ARG 68 Cb 0.29 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1y96 h ARG 68 CO -0.01 0.55 0.10 0.66 -1.51 0.00 0.00 179.97 179.75 1y96 h SER 69 N 0.85 0.84 -0.27 -3.80 4.64 -0.66 -1.63 113.55 113.51 1y96 h SER 69 Ca 0.31 -0.17 -0.14 0.00 -0.47 0.00 0.00 61.79 61.32 1y96 h SER 69 Cb 0.10 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1y96 h SER 69 CO -0.14 0.84 -0.38 -0.07 -0.87 0.00 0.00 176.83 176.20 1y96 h LEU 70 N 0.84 0.81 -1.17 5.97 3.38 -0.85 -3.02 115.31 121.27 1y96 h LEU 70 Ca 0.18 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 1y96 h LEU 70 Cb 0.36 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1y96 h LEU 70 CO 0.01 1.16 0.19 -0.07 0.09 0.00 0.00 178.44 179.81 1y96 h LEU 71 N 0.48 0.70 -1.78 1.67 3.38 -0.76 -1.34 115.31 117.67 1y96 h LEU 71 Ca 0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1y96 h LEU 71 Cb 0.97 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1y96 h LEU 71 CO 0.09 0.65 -0.08 0.00 0.09 0.00 0.00 178.44 179.20 1y96 h ALA 72 N 1.45 1.08 0.00 1.53 0.00 -1.26 -2.75 119.26 119.31 1y96 h ALA 72 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1y96 h ALA 72 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1y96 h ALA 72 CO -0.01 0.09 -0.17 1.98 0.00 0.00 0.00 179.25 181.14 1y96 h MET 73 N 0.00 0.00 -6.56 0.00 -1.53 -1.12 -3.47 114.93 102.26 1y96 h MET 73 Ca -0.00 0.00 -0.57 0.00 -3.44 0.00 0.00 59.70 55.69 1y96 h MET 73 Cb 0.42 0.00 0.06 0.00 -0.55 0.00 0.00 31.60 31.53 1y96 h MET 73 CO 0.01 0.00 0.79 0.28 0.14 0.00 0.00 176.91 178.13 1y96 n VAL 74 N -2.29 0.24 -0.86 -5.77 0.31 -1.04 -1.94 118.33 106.99 1y96 n VAL 74 Ca 0.05 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1y96 n VAL 74 Cb 0.44 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 1y96 n VAL 74 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1y96 n GLY 75 N 3.16 1.23 3.92 2.92 0.00 -0.22 -4.99 105.19 111.21 1y96 n GLY 75 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.84 3.48 0.07 1.61 3.76 -0.82 -4.83 115.29 114.72 1y96 s HIS 76 Ca 0.00 0.38 -0.31 0.00 -0.15 0.00 0.00 55.06 54.98 1y96 s HIS 76 Cb 0.00 -1.88 -0.06 0.00 1.11 0.00 0.00 32.58 31.75 1y96 s HIS 76 CO 0.00 0.40 1.27 -1.14 -0.85 0.00 0.00 174.74 174.41 1y96 s GLN 77 N -3.16 4.39 0.08 1.40 2.00 -1.26 -1.94 119.66 121.17 1y96 s GLN 77 Ca 0.39 1.86 0.08 0.00 -2.00 0.00 0.00 55.36 55.69 1y96 s GLN 77 Cb -0.11 -3.35 -0.03 0.00 0.80 0.00 0.00 33.01 30.32 1y96 s GLN 77 CO 0.28 -0.34 -0.21 0.14 -0.50 0.00 0.00 175.29 174.67 1y96 s VAL 78 N 1.22 1.68 -0.25 1.34 -7.23 0.62 -4.56 120.40 113.23 1y96 s VAL 78 Ca 0.61 -1.42 -0.06 0.00 -1.81 0.00 0.00 61.98 59.30 1y96 s VAL 78 Cb -0.31 -1.51 -0.01 0.00 0.56 0.00 0.00 36.38 35.10 1y96 s VAL 78 CO 0.29 0.03 0.03 -0.55 -0.31 0.00 0.00 175.10 174.58 1y96 s SER 79 N -1.66 4.80 -0.19 4.85 0.15 -0.57 -1.43 113.70 119.65 1y96 s SER 79 Ca 0.07 -0.38 -0.11 0.00 0.70 0.00 0.00 55.95 56.22 1y96 s SER 79 Cb -0.10 -1.84 -0.05 0.00 -1.71 0.00 0.00 66.02 62.32 1y96 s SER 79 CO 0.03 -0.06 0.17 -0.36 1.20 0.00 0.00 173.24 174.22 1y96 s PHE 80 N 1.54 3.41 -0.26 3.44 0.40 0.68 -1.46 117.98 125.73 1y96 s PHE 80 Ca 0.05 0.38 -0.16 0.00 -0.60 0.00 0.00 56.93 56.60 1y96 s PHE 80 Cb -0.15 -2.21 -0.03 0.00 0.51 0.00 0.00 43.02 41.14 1y96 s PHE 80 CO 0.01 0.26 0.42 0.99 0.70 0.00 0.00 175.22 177.60 1y96 s THR 81 N 0.43 5.14 0.33 0.64 2.01 -0.09 -1.73 115.64 122.37 1y96 s THR 81 Ca 0.10 0.68 0.07 0.00 0.31 0.00 0.00 61.69 62.85 1y96 s THR 81 Cb -0.12 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 1y96 s THR 81 CO -0.00 0.14 0.30 -0.76 -0.69 0.00 0.00 174.62 173.60 1y96 s LEU 82 N 2.12 3.64 0.83 4.42 1.02 0.73 -0.43 118.68 131.00 1y96 s LEU 82 Ca 0.17 -0.46 -0.11 0.00 0.02 0.00 0.00 54.13 53.75 1y96 s LEU 82 Cb -0.16 -2.26 0.09 0.00 0.02 0.00 0.00 46.19 43.88 1y96 s LEU 82 CO 0.10 -0.34 1.09 -1.38 0.02 0.00 0.00 176.35 175.84 1y96 s HIS 83 N -2.29 2.56 -1.16 0.29 -3.43 -0.80 -3.70 115.29 106.76 1y96 s HIS 83 Ca 0.41 1.33 0.00 0.00 -0.80 0.00 0.00 55.06 56.00 1y96 s HIS 83 Cb -0.06 -3.10 0.00 0.00 -1.43 0.00 0.00 32.58 27.99 1y96 s HIS 83 CO 0.27 -2.01 0.00 0.39 -2.00 0.00 0.00 174.74 171.39 1y96 n GLU 84 N -3.63 -0.83 -0.94 -0.38 1.02 -1.26 -3.74 120.64 110.88 1y96 n GLU 84 Ca 0.08 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 58.03 1y96 n GLU 84 Cb 0.55 -4.84 0.00 0.00 -0.02 0.00 0.00 31.44 27.12 1y96 n GLU 84 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y96 n GLY 85 N -1.43 0.51 3.89 0.62 0.00 -1.24 -5.01 105.19 102.53 1y96 n GLY 85 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.33 4.98 -0.04 1.61 1.01 -1.24 -4.93 120.40 119.47 1y96 s VAL 86 Ca 0.00 0.27 0.07 0.00 0.00 0.00 0.00 61.98 62.33 1y96 s VAL 86 Cb 0.00 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1y96 s VAL 86 CO 0.00 -0.19 -0.25 -0.60 0.00 0.00 0.00 175.10 174.05 1y96 s ARG 87 N -3.17 2.27 0.02 2.72 6.06 -1.26 -0.19 118.95 125.41 1y96 s ARG 87 Ca 0.46 -0.91 -0.00 0.00 -2.50 0.00 0.00 55.73 52.77 1y96 s ARG 87 Cb -0.11 -2.07 -0.02 0.00 0.06 0.00 0.00 34.95 32.80 1y96 s ARG 87 CO 0.26 0.48 -0.03 0.54 -2.50 0.00 0.00 175.30 174.05 1y96 s VAL 88 N -0.42 0.13 0.02 7.11 0.11 -0.71 -4.99 120.40 121.65 1y96 s VAL 88 Ca 0.04 -1.06 0.07 0.00 -2.93 0.00 0.00 61.98 58.10 1y96 s VAL 88 Cb -0.11 -0.48 -0.03 0.00 -1.53 0.00 0.00 36.38 34.23 1y96 s VAL 88 CO 0.01 -0.58 -0.21 0.00 -3.33 0.00 0.00 175.10 170.99 1y96 s ALA 89 N -1.88 2.47 0.13 1.54 0.00 -1.26 -0.23 121.76 122.53 1y96 s ALA 89 Ca -0.12 -1.17 -0.24 0.00 0.00 0.00 0.00 51.96 50.43 1y96 s ALA 89 Cb -0.07 -0.69 0.07 0.00 0.00 0.00 0.00 23.12 22.44 1y96 s ALA 89 CO -0.03 0.55 0.64 0.00 0.00 0.00 0.00 175.76 176.93 1y96 s ALA 90 N -0.82 -1.63 0.05 0.00 0.00 -0.51 -1.48 121.76 117.36 1y96 s ALA 90 Ca 0.13 0.58 -0.28 0.00 0.00 0.00 0.00 51.96 52.38 1y96 s ALA 90 Cb -0.10 0.81 -0.05 0.00 0.00 0.00 0.00 23.12 23.78 1y96 s ALA 90 CO 0.03 -0.75 0.90 -1.01 0.00 0.00 0.00 175.76 174.93 1y96 s HIS 91 N -3.62 3.74 0.05 0.00 3.76 0.10 -0.28 115.29 119.04 1y96 s HIS 91 Ca 0.01 1.66 -0.28 0.00 -0.15 0.00 0.00 55.06 56.30 1y96 s HIS 91 Cb -0.01 -3.00 -0.05 0.00 1.11 0.00 0.00 32.58 30.63 1y96 s HIS 91 CO -0.12 0.15 0.90 0.12 -0.85 0.00 0.00 174.74 174.95 1y96 s PHE 92 N 0.32 3.74 -0.15 1.40 5.36 -0.82 -0.70 117.98 127.13 1y96 s PHE 92 Ca 0.46 1.66 -0.07 0.00 -0.96 0.00 0.00 56.93 58.01 1y96 s PHE 92 Cb -0.22 -3.00 -0.07 0.00 -0.34 0.00 0.00 43.02 39.40 1y96 s PHE 92 CO 0.27 0.16 -0.19 0.41 -1.46 0.00 0.00 175.22 174.40 1y96 n GLY 93 N 2.52 -0.24 3.63 13.12 0.00 0.28 -1.06 105.19 123.45 1y96 n GLY 93 Ca 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.27 -2.05 0.28 4.61 0.00 -1.02 -4.88 121.76 116.43 1y96 s ALA 94 Ca -0.21 0.77 0.05 0.00 0.00 0.00 0.00 51.96 52.58 1y96 s ALA 94 Cb 0.08 0.33 -0.06 0.00 0.00 0.00 0.00 23.12 23.47 1y96 s ALA 94 CO 0.27 -0.94 -0.02 0.95 0.00 0.00 0.00 175.76 176.02 1y96 s THR 95 N -2.65 1.43 0.69 0.00 -4.23 -1.26 0.10 115.64 109.71 1y96 s THR 95 Ca 0.12 -2.07 -0.11 0.00 -1.18 0.00 0.00 61.69 58.45 1y96 s THR 95 Cb 0.02 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1y96 s THR 95 CO -0.03 -0.23 1.08 1.51 -0.54 0.00 0.00 174.62 176.41 1y96 s ASP 96 N -3.44 5.62 0.42 3.99 -4.77 -1.11 -4.95 116.67 112.42 1y96 s ASP 96 Ca 0.31 1.22 0.13 0.00 -3.30 0.00 0.00 52.55 50.91 1y96 s ASP 96 Cb 0.06 -2.08 0.90 0.00 -1.09 0.00 0.00 42.92 40.70 1y96 s ASP 96 CO 0.12 -1.24 1.95 -0.07 0.70 0.00 0.00 175.17 176.63 1y96 h LEU 97 N -0.58 0.07 0.00 2.11 4.07 -2.01 -0.12 115.31 118.84 1y96 h LEU 97 Ca -0.45 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.50 1y96 h LEU 97 Cb 1.24 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.96 1y96 h LEU 97 CO 0.63 0.27 0.00 0.47 -1.08 0.00 0.00 178.44 178.73 1y96 n ASP 98 N -4.28 0.00 -3.88 -0.43 10.43 -1.26 -4.88 116.55 112.24 1y96 n ASP 98 Ca -0.02 0.11 -0.29 0.00 2.57 0.00 0.00 54.79 57.16 1y96 n ASP 98 Cb 0.27 -0.33 0.03 0.00 1.84 0.00 0.00 41.12 42.93 1y96 n ASP 98 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 1y96 n VAL 99 N -1.33 -2.37 0.02 2.53 0.31 -0.06 -4.90 118.33 112.53 1y96 n VAL 99 Ca 0.08 -0.08 -0.01 0.00 -0.01 0.00 0.00 64.34 64.33 1y96 n VAL 99 Cb 0.16 -2.97 -0.10 0.00 -0.91 0.00 0.00 33.84 30.03 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 -4.64 1.93 -2.80 3.52 0.00 -1.26 -4.73 120.51 112.52 1y96 n ALA 100 Ca -0.01 -0.61 -0.14 0.00 0.00 0.00 0.00 53.44 52.68 1y96 n ALA 100 Cb 0.55 -0.88 -0.14 0.00 0.00 0.00 0.00 19.45 18.98 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 -5.69 0.39 -0.19 0.00 0.01 -1.26 -0.98 114.94 107.21 1y96 s ASN 101 Ca -0.04 -0.07 -0.09 0.00 -0.71 0.00 0.00 52.86 51.94 1y96 s ASN 101 Cb 0.09 -0.04 -0.05 0.00 0.41 0.00 0.00 41.25 41.66 1y96 s ASN 101 CO 0.82 0.03 0.13 -0.36 -1.51 0.00 0.00 177.10 176.20 1y96 s PHE 102 N -0.12 3.42 -0.24 2.20 0.40 0.06 -2.76 117.98 120.94 1y96 s PHE 102 Ca 0.01 0.33 -0.15 0.00 -0.60 0.00 0.00 56.93 56.52 1y96 s PHE 102 Cb -0.02 -2.13 -0.04 0.00 0.51 0.00 0.00 43.02 41.35 1y96 s PHE 102 CO -0.00 0.33 0.38 0.71 0.70 0.00 0.00 175.22 177.34 1y96 s TYR 103 N 0.22 3.31 0.23 0.36 1.51 0.11 -0.90 117.35 122.19 1y96 s TYR 103 Ca 0.08 0.50 0.05 0.00 -1.01 0.00 0.00 57.07 56.70 1y96 s TYR 103 Cb -0.11 -2.54 -0.05 0.00 -0.11 0.00 0.00 41.96 39.14 1y96 s TYR 103 CO -0.01 -0.12 -0.05 0.14 -1.11 0.00 0.00 175.55 174.40 1y96 s VAL 104 N 1.69 1.33 0.21 0.71 -7.23 -0.42 -0.55 120.40 116.13 1y96 s VAL 104 Ca 0.17 -2.09 0.05 0.00 -1.81 0.00 0.00 61.98 58.30 1y96 s VAL 104 Cb -0.15 -2.26 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 1y96 s VAL 104 CO 0.09 -0.42 -0.05 -0.94 -0.31 0.00 0.00 175.10 173.46 1y96 s SER 105 N -3.33 2.03 -1.32 4.85 1.04 0.12 -1.52 113.70 115.58 1y96 s SER 105 Ca 0.26 -1.13 -0.02 0.00 0.48 0.00 0.00 55.95 55.54 1y96 s SER 105 Cb 0.04 -0.04 -0.00 0.00 0.10 0.00 0.00 66.02 66.12 1y96 s SER 105 CO 0.08 -0.40 0.63 0.00 0.98 0.00 0.00 173.24 174.53 1y96 n GLN 106 N -0.37 -4.10 -2.30 4.02 6.02 -0.57 -0.73 117.38 119.35 1y96 n GLN 106 Ca -0.07 0.55 -0.43 0.00 -0.01 0.00 0.00 57.00 57.05 1y96 n GLN 106 Cb 0.62 -4.92 -0.02 0.00 1.02 0.00 0.00 30.24 26.94 1y96 n GLN 106 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1y96 s LEU 107 N -6.71 4.23 0.21 1.08 0.20 -0.49 -4.11 118.68 113.08 1y96 s LEU 107 Ca 0.05 1.87 -0.30 0.00 0.69 0.00 0.00 54.13 56.43 1y96 s LEU 107 Cb -0.01 -3.54 -0.08 0.00 -0.43 0.00 0.00 46.19 42.12 1y96 s LEU 107 CO 0.84 -0.81 1.18 -1.10 -0.29 0.00 0.00 176.35 176.17 1y96 s GLN 108 N 3.61 4.52 0.10 1.98 -0.21 -0.55 -0.99 119.66 128.12 1y96 s GLN 108 Ca 0.60 1.87 -0.04 0.00 0.02 0.00 0.00 55.36 57.81 1y96 s GLN 108 Cb -0.25 -3.22 -0.03 0.00 1.00 0.00 0.00 33.01 30.51 1y96 s GLN 108 CO 0.19 -0.03 0.11 0.95 -2.12 0.00 0.00 175.29 174.39 1y96 s THR 109 N -0.32 0.14 0.54 -0.19 -4.23 -1.22 -4.70 115.64 105.66 1y96 s THR 109 Ca 0.51 -1.61 0.23 0.00 -1.18 0.00 0.00 61.69 59.63 1y96 s THR 109 Cb -0.33 -1.70 0.34 0.00 1.34 0.00 0.00 72.50 72.15 1y96 s THR 109 CO 0.38 -0.63 2.09 -0.65 -0.54 0.00 0.00 174.62 175.28 1y96 h PRO 110 N 2.86 0.00 -0.02 3.99 0.11 -2.02 -2.32 132.00 134.60 1y96 h PRO 110 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1y96 h PRO 110 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1y96 h PRO 110 CO 0.58 0.00 -0.07 0.44 -0.21 0.00 0.00 178.00 178.75 1y96 n ILE 111 N -4.30 0.00 0.00 4.15 -5.35 -1.26 -5.05 119.36 107.55 1y96 n ILE 111 Ca 0.02 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 1y96 n ILE 111 Cb 0.32 0.92 0.00 0.00 -1.74 0.00 0.00 39.64 39.13 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 1.28 2.79 3.72 3.28 0.00 -0.87 -5.08 105.19 110.31 1y96 n GLY 112 Ca 0.16 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.96 3.67 -0.14 1.61 1.01 -1.26 -3.42 120.40 119.92 1y96 s VAL 113 Ca 0.00 1.22 -0.08 0.00 0.00 0.00 0.00 61.98 63.12 1y96 s VAL 113 Cb 0.00 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1y96 s VAL 113 CO 0.00 0.10 0.15 -1.10 0.00 0.00 0.00 175.10 174.25 1y96 s GLN 114 N 0.94 3.65 0.15 2.72 -1.52 -0.16 -4.92 119.66 120.52 1y96 s GLN 114 Ca 0.61 -0.13 -0.14 0.00 -1.95 0.00 0.00 55.36 53.74 1y96 s GLN 114 Cb -0.33 -3.25 0.03 0.00 -0.22 0.00 0.00 33.01 29.24 1y96 s GLN 114 CO 0.30 0.65 1.70 0.00 -0.25 0.00 0.00 175.29 177.70 1y96 h ALA 115 N 5.41 0.64 -2.57 6.09 0.00 -1.95 -1.11 119.26 125.77 1y96 h ALA 115 Ca -0.51 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.13 1y96 h ALA 115 Cb 1.21 -0.19 -0.18 0.00 0.00 0.00 0.00 17.79 18.62 1y96 h ALA 115 CO 0.63 0.25 -0.33 -1.21 0.00 0.00 0.00 179.25 178.59 1y96 s GLU 116 N -5.54 0.69 0.23 0.00 2.02 -1.26 -1.51 118.70 113.32 1y96 s GLU 116 Ca -0.13 -0.45 -0.21 0.00 0.02 0.00 0.00 54.97 54.20 1y96 s GLU 116 Cb 0.11 0.30 0.04 0.00 0.10 0.00 0.00 34.13 34.68 1y96 s GLU 116 CO 0.77 -0.20 0.66 0.00 0.02 0.00 0.00 175.26 176.51 1y96 s ALA 117 N -2.07 -1.30 -0.15 5.21 0.00 -0.57 -4.95 121.76 117.92 1y96 s ALA 117 Ca -0.09 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 51.85 1y96 s ALA 117 Cb -0.03 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.96 1y96 s ALA 117 CO -0.01 -0.92 -0.18 -0.51 0.00 0.00 0.00 175.76 174.14 1y96 s LEU 118 N -2.86 2.28 -0.19 0.00 1.43 -1.26 -1.31 118.68 116.77 1y96 s LEU 118 Ca 0.08 -0.55 -0.06 0.00 -1.03 0.00 0.00 54.13 52.57 1y96 s LEU 118 Cb -0.04 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 1y96 s LEU 118 CO -0.01 0.07 0.02 -0.76 0.23 0.00 0.00 176.35 175.90 1y96 s LEU 119 N 0.92 3.45 0.06 1.79 1.43 -0.08 -4.97 118.68 121.28 1y96 s LEU 119 Ca -0.04 -0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 52.66 1y96 s LEU 119 Cb -0.15 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 1y96 s LEU 119 CO -0.03 0.11 1.04 -0.13 0.23 0.00 0.00 176.35 177.57 1y96 s ARG 120 N 0.73 4.57 0.45 1.70 0.52 -1.26 -0.76 118.95 124.89 1y96 s ARG 120 Ca 0.01 1.54 0.21 0.00 -0.52 0.00 0.00 55.73 56.97 1y96 s ARG 120 Cb -0.14 -3.39 1.07 0.00 0.52 0.00 0.00 34.95 33.01 1y96 s ARG 120 CO 0.02 -0.02 1.94 0.00 0.02 0.00 0.00 175.30 177.26 1y96 h SER 122 N 0.00 0.00 0.49 0.00 4.64 -1.92 -1.76 113.55 115.00 1y96 h SER 122 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y96 h SER 122 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1y96 h SER 122 CO 0.03 0.00 -0.29 0.47 -0.87 0.00 0.00 176.83 176.17 1y96 n ASP 123 N -3.57 0.53 -4.77 4.97 8.00 -0.51 -4.91 116.55 116.29 1y96 n ASP 123 Ca -0.02 -0.34 -0.36 0.00 0.71 0.00 0.00 54.79 54.78 1y96 n ASP 123 Cb 0.16 0.04 -0.08 0.00 -0.02 0.00 0.00 41.12 41.22 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 -2.78 4.82 -0.27 0.53 1.01 -0.66 -1.90 121.20 121.95 1y96 s ILE 124 Ca 0.18 -0.07 -0.15 0.00 0.00 0.00 0.00 60.65 60.62 1y96 s ILE 124 Cb 0.19 -3.07 -0.12 0.00 0.01 0.00 0.00 42.46 39.47 1y96 s ILE 124 CO 0.59 0.60 -0.32 -0.38 0.00 0.00 0.00 174.94 175.43 1y96 n ILE 125 N 2.03 1.53 -3.96 2.92 5.41 0.43 -4.88 119.36 122.84 1y96 n ILE 125 Ca -0.19 -0.34 -0.09 0.00 1.00 0.00 0.00 62.75 63.13 1y96 n ILE 125 Cb 0.54 -1.91 -0.07 0.00 -0.71 0.00 0.00 39.64 37.48 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 -7.39 0.09 0.00 4.38 1.04 -1.07 -5.01 113.70 105.74 1y96 s SER 126 Ca -0.38 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.20 1y96 s SER 126 Cb 0.14 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 1y96 s SER 126 CO 0.49 -0.84 -0.02 -0.72 0.98 0.00 0.00 173.24 173.13 1y96 s TYR 127 N -3.95 0.15 0.02 5.02 -0.85 -1.26 -0.91 117.35 115.56 1y96 s TYR 127 Ca 0.15 -0.13 0.00 0.00 -0.52 0.00 0.00 57.07 56.58 1y96 s TYR 127 Cb 0.04 -0.10 -0.01 0.00 0.38 0.00 0.00 41.96 42.26 1y96 s TYR 127 CO -0.02 -0.04 -0.02 0.99 -1.52 0.00 0.00 175.55 174.94 1y96 s THR 128 N -0.33 0.10 0.31 -3.49 2.01 -0.53 -4.98 115.64 108.73 1y96 s THR 128 Ca -0.03 -0.67 -0.09 0.00 0.31 0.00 0.00 61.69 61.22 1y96 s THR 128 Cb -0.03 -0.21 0.01 0.00 0.01 0.00 0.00 72.50 72.28 1y96 s THR 128 CO -0.00 -0.36 0.53 0.72 -0.69 0.00 0.00 174.62 174.82 1y96 s PHE 129 N -1.05 0.63 -0.22 4.92 -0.12 -1.26 -1.52 117.98 119.36 1y96 s PHE 129 Ca -0.11 -0.99 0.01 0.00 -0.05 0.00 0.00 56.93 55.79 1y96 s PHE 129 Cb -0.07 0.18 0.05 0.00 -0.63 0.00 0.00 43.02 42.55 1y96 s PHE 129 CO -0.01 -1.16 -0.09 0.15 -0.05 0.00 0.00 175.22 174.06 1y96 s LYS 130 N -3.29 2.01 0.00 1.99 1.02 -1.26 -5.10 119.74 115.11 1y96 s LYS 130 Ca 0.25 -1.01 0.01 0.00 0.02 0.00 0.00 55.97 55.23 1y96 s LYS 130 Cb -0.01 -2.59 0.04 0.00 -0.52 0.00 0.00 37.83 34.74 1y96 s LYS 130 CO 0.14 -0.50 0.53 -2.30 -0.92 0.00 0.00 175.35 172.31