#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b98 n GLY 12 N 0.00 4.27 3.73 -0.13 0.00 -1.26 -5.05 105.19 106.74 1b98 n GLY 12 Ca 0.00 -2.61 -0.42 0.00 0.00 0.00 0.00 46.02 42.99 1b98 n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b98 s GLU 13 N -1.55 4.23 -0.06 1.61 2.02 -1.26 -5.02 118.70 118.66 1b98 s GLU 13 Ca 0.29 2.35 0.02 0.00 0.02 0.00 0.00 54.97 57.65 1b98 s GLU 13 Cb -0.05 -3.13 -0.03 0.00 0.10 0.00 0.00 34.13 31.02 1b98 s GLU 13 CO -0.09 -0.54 -0.11 -0.51 0.02 0.00 0.00 175.26 174.02 1b98 s LEU 14 N 0.52 2.90 0.49 1.80 1.43 -1.26 -5.11 118.68 119.45 1b98 s LEU 14 Ca 0.66 -0.14 -0.19 0.00 -1.03 0.00 0.00 54.13 53.42 1b98 s LEU 14 Cb -0.43 -1.61 -0.08 0.00 0.03 0.00 0.00 46.19 44.10 1b98 s LEU 14 CO 0.36 0.34 1.01 0.00 0.23 0.00 0.00 176.35 178.29 1b98 s ALA 15 N -0.66 2.91 0.15 4.21 0.00 -1.26 -4.96 121.76 122.15 1b98 s ALA 15 Ca 0.10 0.47 -0.05 0.00 0.00 0.00 0.00 51.96 52.49 1b98 s ALA 15 Cb -0.11 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 1b98 s ALA 15 CO 0.01 -0.28 1.38 -0.24 0.00 0.00 0.00 175.76 176.63 1b98 h VAL 16 N 1.38 1.36 -3.42 0.00 3.04 -1.96 -3.43 116.25 113.22 1b98 h VAL 16 Ca -0.49 -2.15 -0.48 0.00 -1.01 0.00 0.00 66.70 62.58 1b98 h VAL 16 Cb 1.21 2.13 -0.34 0.00 -2.01 0.00 0.00 31.29 32.28 1b98 h VAL 16 CO 0.60 0.65 -0.80 0.00 -1.01 0.00 0.00 177.57 177.01 1b98 s ASP 18 N 0.83 6.93 0.23 0.00 1.01 0.56 -4.96 116.67 121.27 1b98 s ASP 18 Ca -0.12 2.31 0.11 0.00 0.71 0.00 0.00 52.55 55.56 1b98 s ASP 18 Cb -0.15 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.11 1b98 s ASP 18 CO 0.02 -0.39 -0.21 0.00 0.21 0.00 0.00 175.17 174.80 1b98 s ALA 19 N -1.30 2.56 -0.11 5.23 0.00 -1.26 -2.15 121.76 124.72 1b98 s ALA 19 Ca 0.50 -1.75 -0.02 0.00 0.00 0.00 0.00 51.96 50.70 1b98 s ALA 19 Cb -0.31 -0.27 0.04 0.00 0.00 0.00 0.00 23.12 22.58 1b98 s ALA 19 CO 0.40 0.32 -0.00 0.54 0.00 0.00 0.00 175.76 177.01 1b98 s VAL 20 N -2.20 0.52 0.37 0.00 0.11 -0.57 -4.75 120.40 113.89 1b98 s VAL 20 Ca 0.25 -0.12 0.08 0.00 -2.93 0.00 0.00 61.98 59.26 1b98 s VAL 20 Cb -0.06 -0.74 -0.03 0.00 -1.53 0.00 0.00 36.38 34.02 1b98 s VAL 20 CO 0.12 0.16 0.29 -0.44 -3.33 0.00 0.00 175.10 171.90 1b98 s SER 21 N 1.90 5.03 0.00 3.54 0.01 -1.26 -2.10 113.70 120.82 1b98 s SER 21 Ca 0.03 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1b98 s SER 21 Cb -0.14 -0.74 0.00 0.00 0.21 0.00 0.00 66.02 65.36 1b98 s SER 21 CO -0.06 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.72 1b98 n GLY 22 N -1.40 2.68 3.58 3.44 0.00 -0.61 -4.99 105.19 107.89 1b98 n GLY 22 Ca 0.00 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 1b98 n GLY 22 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1b98 s TRP 23 N -2.00 2.55 -0.23 1.61 0.52 -1.26 -1.62 118.94 118.51 1b98 s TRP 23 Ca 0.00 0.41 -0.26 0.00 0.02 0.00 0.00 56.10 56.27 1b98 s TRP 23 Cb 0.00 -4.50 0.00 0.00 -1.15 0.00 0.00 33.47 27.82 1b98 s TRP 23 CO 0.00 -1.66 0.91 0.08 0.02 0.00 0.00 176.95 176.30 1b98 s VAL 24 N 5.13 4.78 -0.98 4.03 1.01 0.24 -4.90 120.40 129.71 1b98 s VAL 24 Ca 0.44 1.76 0.09 0.00 0.00 0.00 0.00 61.98 64.27 1b98 s VAL 24 Cb -0.08 -4.19 0.15 0.00 0.00 0.00 0.00 36.38 32.25 1b98 s VAL 24 CO 0.25 -0.11 0.96 0.35 0.00 0.00 0.00 175.10 176.55 1b98 n THR 25 N 5.26 0.41 -0.52 3.92 -2.24 -1.26 -2.50 114.28 117.35 1b98 n THR 25 Ca 0.08 -0.71 0.07 0.00 -2.27 0.00 0.00 64.05 61.22 1b98 n THR 25 Cb 0.47 0.90 0.19 0.00 -2.10 0.00 0.00 70.33 69.79 1b98 n THR 25 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1b98 n ASP 26 N 0.44 3.25 -4.63 3.42 5.75 -1.26 -4.96 116.55 118.55 1b98 n ASP 26 Ca 0.07 -2.44 -0.43 0.00 -0.01 0.00 0.00 54.79 51.98 1b98 n ASP 26 Cb 0.30 -0.35 -0.02 0.00 -1.03 0.00 0.00 41.12 40.01 1b98 n ASP 26 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1b98 s ARG 27 N -1.79 3.90 -0.00 0.11 3.52 -1.26 -4.84 118.95 118.59 1b98 s ARG 27 Ca 0.30 1.51 0.09 0.00 -0.13 0.00 0.00 55.73 57.49 1b98 s ARG 27 Cb 0.21 -3.94 -0.10 0.00 -1.56 0.00 0.00 34.95 29.56 1b98 s ARG 27 CO 0.12 -1.15 0.38 0.54 -0.81 0.00 0.00 175.30 174.37 1b98 n ARG 28 N 7.40 3.85 -4.02 5.12 5.12 -1.26 -4.68 116.66 128.18 1b98 n ARG 28 Ca 0.17 -0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 56.00 1b98 n ARG 28 Cb 0.46 -0.94 -0.11 0.00 -1.16 0.00 0.00 32.46 30.71 1b98 n ARG 28 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1b98 s THR 29 N -1.89 0.15 0.24 0.55 -4.23 -1.26 0.40 115.64 109.60 1b98 s THR 29 Ca 0.03 -1.24 -0.14 0.00 -1.18 0.00 0.00 61.69 59.16 1b98 s THR 29 Cb 0.07 -0.72 0.00 0.00 1.34 0.00 0.00 72.50 73.19 1b98 s THR 29 CO 0.37 -0.68 0.50 0.00 -0.54 0.00 0.00 174.62 174.27 1b98 s ALA 30 N -2.36 -0.48 -0.18 3.99 0.00 -0.81 -4.82 121.76 117.11 1b98 s ALA 30 Ca -0.08 -0.69 -0.09 0.00 0.00 0.00 0.00 51.96 51.11 1b98 s ALA 30 Cb -0.03 0.99 -0.05 0.00 0.00 0.00 0.00 23.12 24.03 1b98 s ALA 30 CO -0.04 -0.86 0.12 0.08 0.00 0.00 0.00 175.76 175.06 1b98 s VAL 31 N -3.98 5.33 0.82 0.00 1.01 -1.26 -2.01 120.40 120.31 1b98 s VAL 31 Ca 0.18 0.16 -0.10 0.00 0.00 0.00 0.00 61.98 62.21 1b98 s VAL 31 Cb -0.01 -3.40 0.18 0.00 0.00 0.00 0.00 36.38 33.15 1b98 s VAL 31 CO 0.06 0.48 1.12 -0.90 0.00 0.00 0.00 175.10 175.87 1b98 n ASP 32 N 3.18 0.46 0.04 3.32 5.68 0.77 -0.03 116.55 129.98 1b98 n ASP 32 Ca -0.17 -1.64 0.21 0.00 -0.50 0.00 0.00 54.79 52.69 1b98 n ASP 32 Cb 0.53 -0.82 0.73 0.00 -1.14 0.00 0.00 41.12 40.41 1b98 n ASP 32 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1b98 h LEU 33 N 0.00 0.00 -3.16 -2.12 7.12 -1.37 -2.06 115.31 113.72 1b98 h LEU 33 Ca -0.37 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.64 1b98 h LEU 33 Cb 1.10 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.23 1b98 h LEU 33 CO 0.29 0.00 0.00 -2.11 -0.13 0.00 0.00 178.44 176.49 1b98 n ARG 34 N -4.02 3.44 -0.57 1.25 1.85 -1.26 -4.98 116.66 112.36 1b98 n ARG 34 Ca 0.09 -2.73 0.00 0.00 -1.00 0.00 0.00 57.85 54.21 1b98 n ARG 34 Cb 0.62 -1.78 0.00 0.00 -1.05 0.00 0.00 32.46 30.25 1b98 n ARG 34 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1b98 n GLY 35 N 0.50 0.78 3.82 2.89 0.00 -0.78 -5.06 105.19 107.34 1b98 n GLY 35 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 1b98 n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b98 s ARG 36 N -0.43 4.11 -0.08 1.61 1.81 -1.26 -4.79 118.95 119.92 1b98 s ARG 36 Ca 0.00 0.64 -0.23 0.00 -1.72 0.00 0.00 55.73 54.42 1b98 s ARG 36 Cb 0.00 -3.11 -0.04 0.00 -0.45 0.00 0.00 34.95 31.36 1b98 s ARG 36 CO 0.00 0.57 0.68 -2.00 -0.68 0.00 0.00 175.30 173.87 1b98 s GLU 37 N -1.46 4.41 0.40 3.54 2.12 -1.26 -0.16 118.70 126.28 1b98 s GLU 37 Ca 0.33 0.83 0.04 0.00 0.36 0.00 0.00 54.97 56.53 1b98 s GLU 37 Cb -0.18 -3.46 -0.05 0.00 0.26 0.00 0.00 34.13 30.70 1b98 s GLU 37 CO 0.19 0.04 0.05 0.14 -0.54 0.00 0.00 175.26 175.14 1b98 s VAL 38 N 0.90 1.29 -0.08 3.70 -7.23 -0.85 -4.91 120.40 113.21 1b98 s VAL 38 Ca 0.36 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.41 1b98 s VAL 38 Cb -0.17 -2.65 -0.05 0.00 0.56 0.00 0.00 36.38 34.07 1b98 s VAL 38 CO 0.17 0.00 0.27 -0.70 -0.31 0.00 0.00 175.10 174.53 1b98 s GLU 39 N -3.81 3.80 -0.16 4.82 2.12 -1.13 -1.92 118.70 122.42 1b98 s GLU 39 Ca 0.28 0.12 -0.02 0.00 0.36 0.00 0.00 54.97 55.71 1b98 s GLU 39 Cb 0.07 -3.25 -0.01 0.00 0.26 0.00 0.00 34.13 31.19 1b98 s GLU 39 CO 0.14 0.63 -0.09 0.08 -0.54 0.00 0.00 175.26 175.48 1b98 s VAL 40 N -0.73 3.30 0.38 3.70 1.01 0.16 -1.81 120.40 126.41 1b98 s VAL 40 Ca 0.19 -0.55 -0.24 0.00 0.00 0.00 0.00 61.98 61.37 1b98 s VAL 40 Cb -0.14 -2.43 -0.10 0.00 0.00 0.00 0.00 36.38 33.71 1b98 s VAL 40 CO 0.07 0.49 1.00 -0.76 0.00 0.00 0.00 175.10 175.90 1b98 s LEU 41 N 0.69 4.18 0.20 3.92 1.02 -0.96 -4.42 118.68 123.31 1b98 s LEU 41 Ca -0.04 1.91 0.03 0.00 0.02 0.00 0.00 54.13 56.05 1b98 s LEU 41 Cb -0.15 -4.18 0.10 0.00 0.02 0.00 0.00 46.19 41.98 1b98 s LEU 41 CO 0.02 -0.32 1.46 1.23 0.02 0.00 0.00 176.35 178.76 1b98 h GLY 42 N 2.65 0.25 -3.31 -3.19 0.00 -1.86 -3.42 103.07 94.19 1b98 h GLY 42 Ca -0.48 -0.37 -0.66 0.00 0.00 0.00 0.00 47.33 45.82 1b98 h GLY 42 CO 0.63 0.33 -0.83 -0.54 0.00 0.00 0.00 176.54 176.13 1b98 s GLU 43 N -3.46 1.53 -0.20 4.80 2.02 -1.26 -0.27 118.70 121.86 1b98 s GLU 43 Ca -0.03 -1.49 -0.01 0.00 0.02 0.00 0.00 54.97 53.46 1b98 s GLU 43 Cb 0.11 -1.87 0.05 0.00 0.10 0.00 0.00 34.13 32.53 1b98 s GLU 43 CO 0.82 0.41 -0.02 0.08 0.02 0.00 0.00 175.26 176.56 1b98 s VAL 44 N -1.59 1.07 0.06 2.63 1.01 -0.24 -4.81 120.40 118.53 1b98 s VAL 44 Ca 0.20 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 1b98 s VAL 44 Cb -0.08 -1.39 -0.16 0.00 0.00 0.00 0.00 36.38 34.75 1b98 s VAL 44 CO 0.10 -0.07 1.28 1.55 0.00 0.00 0.00 175.10 177.96 1b98 h PRO 45 N 8.10 0.56 -0.70 2.72 0.13 -1.92 0.76 132.00 141.66 1b98 h PRO 45 Ca -0.19 -0.41 -0.34 0.00 -0.87 0.00 0.00 66.00 64.20 1b98 h PRO 45 Cb 1.10 0.07 -0.23 0.00 0.13 0.00 0.00 31.00 32.07 1b98 h PRO 45 CO 0.38 1.03 -0.70 0.00 -0.23 0.00 0.00 178.00 178.47 1b98 n ALA 46 N -2.53 -0.09 -3.89 -0.56 0.00 -1.26 -3.49 120.51 108.69 1b98 n ALA 46 Ca -0.07 -2.09 -0.30 0.00 0.00 0.00 0.00 53.44 50.98 1b98 n ALA 46 Cb 0.56 -1.16 -0.15 0.00 0.00 0.00 0.00 19.45 18.71 1b98 n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b98 s ALA 47 N 0.05 2.46 0.00 0.00 0.00 -1.24 -4.95 121.76 118.09 1b98 s ALA 47 Ca 0.33 -2.38 0.00 0.00 0.00 0.00 0.00 51.96 49.91 1b98 s ALA 47 Cb 0.21 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.45 1b98 s ALA 47 CO -0.20 -1.77 0.00 0.41 0.00 0.00 0.00 175.76 174.20 1b98 n GLY 48 N 4.21 0.57 0.00 0.00 0.00 -1.26 -4.63 105.19 104.07 1b98 n GLY 48 Ca 0.03 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1b98 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b98 n GLY 49 N 0.00 -0.02 3.54 -0.02 0.00 -1.26 -5.06 105.19 102.37 1b98 n GLY 49 Ca 0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 1b98 n GLY 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b98 s SER 50 N -2.36 3.72 0.44 1.61 0.01 -1.26 -5.03 113.70 110.83 1b98 s SER 50 Ca -0.00 -1.20 -0.16 0.00 1.31 0.00 0.00 55.95 55.90 1b98 s SER 50 Cb 0.00 -0.35 -0.08 0.00 0.21 0.00 0.00 66.02 65.80 1b98 s SER 50 CO 0.02 -0.21 0.89 -2.84 0.41 0.00 0.00 173.24 171.50 1b98 s PRO 51 N -3.61 3.98 0.19 12.44 0.02 -1.23 -3.64 135.00 143.16 1b98 s PRO 51 Ca 0.33 0.83 -0.23 0.00 0.02 0.00 0.00 61.00 61.95 1b98 s PRO 51 Cb 0.03 -2.25 0.05 0.00 0.02 0.00 0.00 34.50 32.35 1b98 s PRO 51 CO 0.16 -0.09 0.70 -0.48 -0.33 0.00 0.00 177.00 176.96 1b98 s LEU 52 N -3.64 -0.40 0.03 -5.54 2.34 0.26 -5.02 118.68 106.72 1b98 s LEU 52 Ca 0.57 -0.27 -0.29 0.00 0.06 0.00 0.00 54.13 54.19 1b98 s LEU 52 Cb -0.10 2.57 -0.04 0.00 -0.56 0.00 0.00 46.19 48.06 1b98 s LEU 52 CO 0.25 -1.09 0.94 -0.60 -1.06 0.00 0.00 176.35 174.79 1b98 s ARG 53 N -3.73 4.59 -0.26 1.48 3.52 -1.26 -1.08 118.95 122.21 1b98 s ARG 53 Ca 0.06 1.37 -0.20 0.00 -0.13 0.00 0.00 55.73 56.83 1b98 s ARG 53 Cb -0.03 -3.43 -0.02 0.00 -1.56 0.00 0.00 34.95 29.92 1b98 s ARG 53 CO -0.04 0.06 0.63 -1.14 -0.81 0.00 0.00 175.30 174.01 1b98 s GLN 54 N 0.61 4.08 0.13 5.12 0.74 0.63 -4.87 119.66 126.09 1b98 s GLN 54 Ca 0.49 0.52 -0.07 0.00 0.05 0.00 0.00 55.36 56.34 1b98 s GLN 54 Cb -0.21 -3.66 -0.01 0.00 1.10 0.00 0.00 33.01 30.22 1b98 s GLN 54 CO 0.28 -0.44 0.21 1.52 -0.55 0.00 0.00 175.29 176.30 1b98 s TYR 55 N 2.53 0.39 0.13 1.67 1.13 -1.26 -4.77 117.35 117.16 1b98 s TYR 55 Ca 0.26 -0.79 0.07 0.00 -1.41 0.00 0.00 57.07 55.20 1b98 s TYR 55 Cb -0.15 -0.13 -0.04 0.00 -1.10 0.00 0.00 41.96 40.54 1b98 s TYR 55 CO 0.09 -0.62 -0.16 -0.06 -2.51 0.00 0.00 175.55 172.29 1b98 s PHE 56 N -3.94 1.56 -0.49 -3.49 0.08 -1.04 -4.98 117.98 105.68 1b98 s PHE 56 Ca 0.14 -0.51 -0.15 0.00 0.12 0.00 0.00 56.93 56.53 1b98 s PHE 56 Cb 0.05 -0.81 0.09 0.00 -0.57 0.00 0.00 43.02 41.78 1b98 s PHE 56 CO -0.04 0.20 0.42 0.12 -0.10 0.00 0.00 175.22 175.82 1b98 s PHE 57 N -1.96 3.26 0.18 0.36 5.36 -1.26 -0.59 117.98 123.32 1b98 s PHE 57 Ca 0.10 -1.09 0.10 0.00 -0.96 0.00 0.00 56.93 55.08 1b98 s PHE 57 Cb -0.06 -3.36 -0.04 0.00 -0.34 0.00 0.00 43.02 39.22 1b98 s PHE 57 CO 0.04 -0.87 -0.15 -1.21 -1.46 0.00 0.00 175.22 171.57 1b98 s GLU 58 N 1.61 1.87 -0.07 10.12 2.02 -0.64 -4.88 118.70 128.72 1b98 s GLU 58 Ca 0.04 -1.34 -0.00 0.00 0.02 0.00 0.00 54.97 53.69 1b98 s GLU 58 Cb -0.26 -2.06 0.03 0.00 0.10 0.00 0.00 34.13 31.94 1b98 s GLU 58 CO 0.05 0.43 -0.03 0.99 0.02 0.00 0.00 175.26 176.72 1b98 s THR 59 N -1.63 0.55 0.28 3.63 2.01 0.13 -1.58 115.64 119.04 1b98 s THR 59 Ca 0.23 -0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.22 1b98 s THR 59 Cb -0.09 -0.64 -0.05 0.00 0.01 0.00 0.00 72.50 71.74 1b98 s THR 59 CO 0.13 0.27 0.12 0.00 -0.69 0.00 0.00 174.62 174.45 1b98 s ARG 60 N 1.60 1.50 0.55 4.92 1.70 -0.89 -1.70 118.95 126.63 1b98 s ARG 60 Ca 0.00 -1.84 -0.19 0.00 -0.47 0.00 0.00 55.73 53.23 1b98 s ARG 60 Cb -0.13 -0.26 -0.06 0.00 -0.57 0.00 0.00 34.95 33.94 1b98 s ARG 60 CO -0.04 -0.35 1.11 0.00 -1.08 0.00 0.00 175.30 174.94 1b98 s LYS 62 N -3.38 4.75 -0.22 0.00 2.47 -0.92 -4.65 119.74 117.80 1b98 s LYS 62 Ca 0.71 1.44 -0.10 0.00 -1.56 0.00 0.00 55.97 56.46 1b98 s LYS 62 Cb -0.22 -3.10 -0.05 0.00 -1.46 0.00 0.00 37.83 33.00 1b98 s LYS 62 CO 0.27 0.42 0.15 0.00 0.16 0.00 0.00 175.35 176.36 1b98 s ALA 63 N -1.34 3.64 0.90 3.13 0.00 -1.26 0.26 121.76 127.09 1b98 s ALA 63 Ca 0.44 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1b98 s ALA 63 Cb -0.23 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.62 1b98 s ALA 63 CO 0.29 -0.04 0.00 -0.40 0.00 0.00 0.00 175.76 175.62 1b98 n ASP 64 N 3.94 0.00 0.34 0.00 5.68 -1.26 -4.91 116.55 120.34 1b98 n ASP 64 Ca -0.15 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 53.99 1b98 n ASP 64 Cb 0.52 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.43 1b98 n ASP 64 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1b98 h GLU 68 N 0.00 -0.89 -0.67 0.11 4.81 -2.11 -3.53 114.58 112.30 1b98 h GLU 68 Ca 0.00 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1b98 h GLU 68 Cb 0.00 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1b98 h GLU 68 CO 0.00 -0.59 0.00 0.41 -0.73 0.00 0.00 179.01 178.10 1b98 n GLY 69 N -1.47 0.00 0.21 1.92 0.00 -1.26 -4.83 105.19 99.75 1b98 n GLY 69 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1b98 n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b98 n GLY 70 N 0.12 0.00 0.00 -0.02 0.00 -1.26 -5.01 105.19 99.03 1b98 n GLY 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1b98 n GLY 70 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1b98 n PRO 71 N -0.29 -0.17 -1.94 1.61 -0.02 -1.26 -4.72 135.00 128.21 1b98 n PRO 71 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.42 1b98 n PRO 71 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.47 1b98 n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b98 n GLY 72 N 3.58 0.26 3.54 -1.23 0.00 -0.68 -4.84 105.19 105.81 1b98 n GLY 72 Ca 0.00 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.08 1b98 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b98 s ALA 73 N -2.27 2.94 0.26 4.61 0.00 -1.26 -0.32 121.76 125.72 1b98 s ALA 73 Ca 0.00 -2.06 -0.31 0.00 0.00 0.00 0.00 51.96 49.59 1b98 s ALA 73 Cb 0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 23.12 22.93 1b98 s ALA 73 CO 0.00 0.10 1.63 0.20 0.00 0.00 0.00 175.76 177.69 1b98 s GLY 74 N -3.60 1.82 0.00 0.00 0.00 0.72 -1.43 107.32 104.83 1b98 s GLY 74 Ca 0.32 1.56 0.00 0.00 0.00 0.00 0.00 44.72 46.60 1b98 s GLY 74 CO 0.16 2.64 0.00 0.61 0.00 0.00 0.00 173.10 176.52 1b98 n GLY 75 N 2.79 2.90 3.97 0.20 0.00 -0.56 -4.79 105.19 109.71 1b98 n GLY 75 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1b98 n GLY 75 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b98 s GLY 76 N -1.53 1.76 0.76 -0.02 0.00 -0.52 -4.74 107.32 103.04 1b98 s GLY 76 Ca 0.00 -1.52 -0.11 0.00 0.00 0.00 0.00 44.72 43.10 1b98 s GLY 76 CO 0.00 -0.97 1.08 -0.32 0.00 0.00 0.00 173.10 172.89 1b98 s GLY 77 N -4.70 1.67 0.35 0.20 0.00 -1.25 -2.13 107.32 101.46 1b98 s GLY 77 Ca 0.66 0.19 -0.00 0.00 0.00 0.00 0.00 44.72 45.56 1b98 s GLY 77 CO 0.45 0.54 0.56 0.00 0.00 0.00 0.00 173.10 174.65 1b98 s ARG 79 N -4.27 4.00 0.00 0.00 3.52 0.37 -3.72 118.95 118.85 1b98 s ARG 79 Ca 0.41 2.24 0.00 0.00 -0.13 0.00 0.00 55.73 58.25 1b98 s ARG 79 Cb -0.10 -2.81 0.00 0.00 -1.56 0.00 0.00 34.95 30.48 1b98 s ARG 79 CO 0.36 -0.50 0.00 0.41 -0.81 0.00 0.00 175.30 174.76 1b98 n GLY 80 N 0.65 0.26 3.80 8.12 0.00 -1.26 -4.69 105.19 112.07 1b98 n GLY 80 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1b98 n GLY 80 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b98 s VAL 81 N -1.68 4.45 -0.65 1.61 -7.23 -1.24 -4.97 120.40 110.69 1b98 s VAL 81 Ca 0.00 1.48 -0.27 0.00 -1.81 0.00 0.00 61.98 61.38 1b98 s VAL 81 Cb 0.00 -3.94 0.00 0.00 0.56 0.00 0.00 36.38 33.00 1b98 s VAL 81 CO 0.00 0.24 1.61 -0.62 -0.31 0.00 0.00 175.10 176.02 1b98 s ASP 82 N -1.56 5.68 0.59 4.85 -1.08 -1.26 -4.86 116.67 119.03 1b98 s ASP 82 Ca 0.44 0.06 0.37 0.00 -0.52 0.00 0.00 52.55 52.89 1b98 s ASP 82 Cb -0.18 -2.54 1.81 0.00 -1.46 0.00 0.00 42.92 40.55 1b98 s ASP 82 CO 0.22 -2.11 2.16 0.03 0.52 0.00 0.00 175.17 175.99 1b98 h ARG 83 N 12.77 0.00 0.01 4.34 -0.00 -1.93 -2.18 114.38 127.38 1b98 h ARG 83 Ca -0.27 0.00 0.02 0.00 -0.50 0.00 0.00 59.98 59.23 1b98 h ARG 83 Cb 1.11 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 31.05 1b98 h ARG 83 CO 1.23 0.02 -0.15 0.00 0.00 0.00 0.00 179.97 181.08 1b98 h ARG 84 N 0.00 -0.24 -0.01 0.04 3.08 -2.04 -3.34 114.38 111.87 1b98 h ARG 84 Ca -0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1b98 h ARG 84 Cb 0.28 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1b98 h ARG 84 CO 0.00 -0.16 -0.60 0.72 -1.07 0.00 0.00 179.97 178.86 1b98 n HIS 85 N -5.28 0.00 -3.83 3.04 8.25 -0.84 -5.02 115.22 111.54 1b98 n HIS 85 Ca -0.05 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.26 1b98 n HIS 85 Cb 0.20 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.15 1b98 n HIS 85 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1b98 s TRP 86 N -2.42 0.09 -0.25 4.41 0.52 -1.10 -4.20 118.94 115.98 1b98 s TRP 86 Ca 0.12 0.08 -0.11 0.00 0.02 0.00 0.00 56.10 56.21 1b98 s TRP 86 Cb 0.15 -0.23 -0.05 0.00 -1.15 0.00 0.00 33.47 32.19 1b98 s TRP 86 CO 0.60 -0.08 0.17 0.08 0.02 0.00 0.00 176.95 177.74 1b98 s VAL 87 N 0.85 5.35 0.36 4.03 1.01 -0.74 -4.59 120.40 126.67 1b98 s VAL 87 Ca -0.07 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.13 1b98 s VAL 87 Cb -0.11 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1b98 s VAL 87 CO -0.02 0.32 0.07 -0.94 0.00 0.00 0.00 175.10 174.53 1b98 s SER 88 N 1.21 2.66 -0.29 3.32 1.04 -1.26 0.16 113.70 120.54 1b98 s SER 88 Ca 0.08 -1.47 -0.16 0.00 0.48 0.00 0.00 55.95 54.88 1b98 s SER 88 Cb -0.14 0.10 0.13 0.00 0.10 0.00 0.00 66.02 66.21 1b98 s SER 88 CO 0.06 -0.70 0.89 -0.70 0.98 0.00 0.00 173.24 173.77 1b98 s GLU 89 N -3.84 0.46 -0.18 4.02 2.12 0.59 -3.97 118.70 117.90 1b98 s GLU 89 Ca 0.31 0.85 -0.29 0.00 0.36 0.00 0.00 54.97 56.20 1b98 s GLU 89 Cb 0.07 0.18 -0.02 0.00 0.26 0.00 0.00 34.13 34.61 1b98 s GLU 89 CO 0.15 -0.11 1.40 0.00 -0.54 0.00 0.00 175.26 176.16 1b98 s LYS 91 N 3.92 0.42 0.32 0.00 1.02 -0.27 -1.49 119.74 123.66 1b98 s LYS 91 Ca 0.61 -0.45 -0.29 0.00 0.02 0.00 0.00 55.97 55.87 1b98 s LYS 91 Cb -0.24 0.17 -0.10 0.00 -0.52 0.00 0.00 37.83 37.14 1b98 s LYS 91 CO 0.21 -0.09 1.27 0.00 -0.92 0.00 0.00 175.35 175.83 1b98 s ALA 92 N -1.36 3.48 -0.03 5.17 0.00 -1.26 0.09 121.76 127.85 1b98 s ALA 92 Ca -0.15 1.21 0.07 0.00 0.00 0.00 0.00 51.96 53.09 1b98 s ALA 92 Cb -0.08 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 1b98 s ALA 92 CO 0.01 -0.57 -0.24 0.21 0.00 0.00 0.00 175.76 175.16 1b98 s LYS 93 N -1.75 2.14 0.13 0.00 2.20 0.36 -4.87 119.74 117.95 1b98 s LYS 93 Ca 0.48 -0.88 0.08 0.00 -0.36 0.00 0.00 55.97 55.29 1b98 s LYS 93 Cb -0.39 -1.98 -0.04 0.00 -1.51 0.00 0.00 37.83 33.91 1b98 s LYS 93 CO 0.51 0.48 -0.09 -0.65 -0.36 0.00 0.00 175.35 175.24 1b98 s GLN 94 N -0.45 2.12 0.32 4.03 1.11 -1.26 -0.28 119.66 125.26 1b98 s GLN 94 Ca 0.06 -1.09 0.07 0.00 0.01 0.00 0.00 55.36 54.41 1b98 s GLN 94 Cb -0.11 -2.27 -0.06 0.00 -1.01 0.00 0.00 33.01 29.56 1b98 s GLN 94 CO 0.00 0.49 -0.03 -1.12 0.01 0.00 0.00 175.29 174.64 1b98 s SER 95 N -2.39 3.07 -0.10 5.90 0.01 -0.38 -4.83 113.70 114.97 1b98 s SER 95 Ca 0.22 -1.26 -0.10 0.00 1.31 0.00 0.00 55.95 56.12 1b98 s SER 95 Cb -0.10 -0.23 -0.05 0.00 0.21 0.00 0.00 66.02 65.85 1b98 s SER 95 CO 0.14 -0.39 0.23 -0.31 0.41 0.00 0.00 173.24 173.32 1b98 s TYR 96 N -2.94 3.60 0.07 2.43 2.02 -1.26 -0.84 117.35 120.43 1b98 s TYR 96 Ca 0.33 0.65 0.03 0.00 -0.37 0.00 0.00 57.07 57.70 1b98 s TYR 96 Cb 0.06 -2.11 -0.03 0.00 -0.40 0.00 0.00 41.96 39.48 1b98 s TYR 96 CO 0.15 0.61 -0.10 0.14 -1.57 0.00 0.00 175.55 174.78 1b98 s VAL 97 N -0.73 0.81 -0.09 0.71 -7.23 -0.31 -4.91 120.40 108.64 1b98 s VAL 97 Ca 0.17 -1.35 -0.27 0.00 -1.81 0.00 0.00 61.98 58.71 1b98 s VAL 97 Cb -0.13 -1.01 -0.02 0.00 0.56 0.00 0.00 36.38 35.77 1b98 s VAL 97 CO 0.06 -0.42 0.89 -0.60 -0.31 0.00 0.00 175.10 174.71 1b98 s ARG 98 N -2.11 4.42 0.01 4.82 3.52 -1.26 -2.04 118.95 126.31 1b98 s ARG 98 Ca -0.02 1.18 0.00 0.00 -0.13 0.00 0.00 55.73 56.76 1b98 s ARG 98 Cb -0.07 -3.52 -0.01 0.00 -1.56 0.00 0.00 34.95 29.79 1b98 s ARG 98 CO 0.00 -0.19 -0.02 0.00 -0.81 0.00 0.00 175.30 174.28 1b98 s ALA 99 N 1.60 0.12 -0.15 6.12 0.00 -0.16 -4.90 121.76 124.38 1b98 s ALA 99 Ca 0.44 -0.37 -0.29 0.00 0.00 0.00 0.00 51.96 51.73 1b98 s ALA 99 Cb -0.18 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 1b98 s ALA 99 CO 0.18 -0.08 1.40 -1.17 0.00 0.00 0.00 175.76 176.09 1b98 s LEU 100 N -0.88 4.17 0.00 0.00 2.96 -1.26 -0.24 118.68 123.42 1b98 s LEU 100 Ca -0.09 1.79 0.05 0.00 -0.22 0.00 0.00 54.13 55.66 1b98 s LEU 100 Cb -0.06 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.07 1b98 s LEU 100 CO -0.01 -0.87 0.19 0.35 -1.32 0.00 0.00 176.35 174.69 1b98 n THR 101 N 5.56 0.00 -3.84 3.68 -2.24 0.86 -2.26 114.28 116.04 1b98 n THR 101 Ca 0.15 -2.05 -0.12 0.00 -2.27 0.00 0.00 64.05 59.76 1b98 n THR 101 Cb 0.44 0.90 -0.14 0.00 -2.10 0.00 0.00 70.33 69.44 1b98 n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b98 s ALA 102 N -3.06 -0.15 0.00 6.98 0.00 -0.75 -1.05 121.76 123.73 1b98 s ALA 102 Ca 0.27 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1b98 s ALA 102 Cb 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1b98 s ALA 102 CO 0.19 -0.04 0.00 -0.25 0.00 0.00 0.00 175.76 175.66 1b98 n ASP 103 N 3.13 0.00 0.00 0.00 9.92 -0.34 -2.84 116.55 126.43 1b98 n ASP 103 Ca -0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 1b98 n ASP 103 Cb 0.59 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.07 1b98 n ASP 103 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1b98 n ALA 104 N 0.00 0.00 -2.81 2.24 0.00 -1.26 -4.55 120.51 114.13 1b98 n ALA 104 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1b98 n ALA 104 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1b98 n ALA 104 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1b98 s GLN 105 N -1.85 3.61 -0.88 0.00 0.74 -1.26 -4.33 119.66 115.69 1b98 s GLN 105 Ca 0.00 -1.58 -0.02 0.00 0.05 0.00 0.00 55.36 53.80 1b98 s GLN 105 Cb 0.00 -5.06 0.00 0.00 1.10 0.00 0.00 33.01 29.05 1b98 s GLN 105 CO 0.00 -1.91 0.28 0.41 -0.55 0.00 0.00 175.29 173.52 1b98 n GLY 106 N 5.89 0.00 3.52 2.59 0.00 -1.26 -5.02 105.19 110.92 1b98 n GLY 106 Ca 0.27 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1b98 n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b98 s ARG 107 N -5.07 3.19 0.18 1.61 1.81 -1.26 -4.91 118.95 114.51 1b98 s ARG 107 Ca 0.14 -0.38 -0.13 0.00 -1.72 0.00 0.00 55.73 53.65 1b98 s ARG 107 Cb -0.06 -4.18 -0.07 0.00 -0.45 0.00 0.00 34.95 30.19 1b98 s ARG 107 CO 0.17 -2.02 0.56 0.08 -0.68 0.00 0.00 175.30 173.41 1b98 s VAL 108 N 5.19 4.88 -0.18 3.52 1.01 -1.26 -1.20 120.40 132.36 1b98 s VAL 108 Ca 0.32 0.70 -0.35 0.00 0.00 0.00 0.00 61.98 62.64 1b98 s VAL 108 Cb -0.11 -3.68 0.15 0.00 0.00 0.00 0.00 36.38 32.74 1b98 s VAL 108 CO 0.14 0.11 1.36 -0.83 0.00 0.00 0.00 175.10 175.88 1b98 s GLY 109 N -1.98 -0.33 0.23 4.51 0.00 -0.22 -4.99 107.32 104.54 1b98 s GLY 109 Ca 0.42 1.43 -0.30 0.00 0.00 0.00 0.00 44.72 46.28 1b98 s GLY 109 CO 0.20 0.42 1.12 -0.98 0.00 0.00 0.00 173.10 173.86 1b98 s TRP 110 N -2.15 3.54 -0.08 1.90 0.52 -1.26 -0.10 118.94 121.32 1b98 s TRP 110 Ca 0.13 1.61 -0.07 0.00 0.02 0.00 0.00 56.10 57.78 1b98 s TRP 110 Cb 0.02 -3.32 0.02 0.00 -1.15 0.00 0.00 33.47 29.04 1b98 s TRP 110 CO -0.04 -0.73 0.21 1.03 0.02 0.00 0.00 176.95 177.44 1b98 s ARG 111 N -0.89 0.25 -0.18 4.98 0.52 0.66 -4.92 118.95 119.38 1b98 s ARG 111 Ca 0.48 0.29 -0.29 0.00 -0.52 0.00 0.00 55.73 55.69 1b98 s ARG 111 Cb -0.31 0.12 -0.02 0.00 0.52 0.00 0.00 34.95 35.25 1b98 s ARG 111 CO 0.39 -0.03 1.37 -1.58 0.02 0.00 0.00 175.30 175.47 1b98 s TRP 112 N 0.12 2.59 0.28 -0.53 0.52 -1.26 -0.99 118.94 119.67 1b98 s TRP 112 Ca -0.00 0.80 0.05 0.00 0.02 0.00 0.00 56.10 56.96 1b98 s TRP 112 Cb -0.02 -3.69 -0.06 0.00 -1.15 0.00 0.00 33.47 28.55 1b98 s TRP 112 CO 0.00 -2.20 0.00 0.96 0.02 0.00 0.00 176.95 175.74 1b98 s ILE 113 N 3.92 1.30 -0.09 2.03 -4.36 -0.86 -0.94 121.20 122.19 1b98 s ILE 113 Ca 0.60 -2.05 -0.15 0.00 -0.26 0.00 0.00 60.65 58.78 1b98 s ILE 113 Cb -0.23 -2.55 -0.05 0.00 1.25 0.00 0.00 42.46 40.88 1b98 s ILE 113 CO 0.20 -0.20 0.39 -0.13 0.24 0.00 0.00 174.94 175.44 1b98 s ARG 114 N -3.83 4.15 0.16 0.37 0.52 0.96 -1.17 118.95 120.10 1b98 s ARG 114 Ca 0.32 0.32 0.06 0.00 -0.52 0.00 0.00 55.73 55.90 1b98 s ARG 114 Cb 0.06 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 1b98 s ARG 114 CO 0.12 0.38 -0.12 0.96 0.02 0.00 0.00 175.30 176.66 1b98 s ILE 115 N -0.04 1.34 -0.35 1.52 -4.36 -0.02 -4.37 121.20 114.91 1b98 s ILE 115 Ca 0.22 -2.04 -0.29 0.00 -0.26 0.00 0.00 60.65 58.28 1b98 s ILE 115 Cb -0.15 -1.84 0.02 0.00 1.25 0.00 0.00 42.46 41.74 1b98 s ILE 115 CO 0.09 -0.65 1.16 -1.81 0.24 0.00 0.00 174.94 173.97 1b98 s ASP 116 N -3.08 6.78 -0.01 4.36 1.01 -1.26 -1.25 116.67 123.22 1b98 s ASP 116 Ca 0.17 0.96 0.16 0.00 0.71 0.00 0.00 52.55 54.55 1b98 s ASP 116 Cb 0.00 -2.54 -0.21 0.00 1.01 0.00 0.00 42.92 41.18 1b98 s ASP 116 CO 0.03 -1.03 0.56 0.35 0.21 0.00 0.00 175.17 175.29 1b98 n THR 117 N 6.21 0.00 -3.60 -1.27 -2.24 0.61 0.19 114.28 114.18 1b98 n THR 117 Ca 0.13 -0.22 -0.04 0.00 -2.27 0.00 0.00 64.05 61.65 1b98 n THR 117 Cb 0.47 0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 69.34 1b98 n THR 117 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b98 s ALA 118 N -2.79 -2.02 -0.42 6.98 0.00 -0.69 -4.44 121.76 118.38 1b98 s ALA 118 Ca 0.01 1.10 -0.12 0.00 0.00 0.00 0.00 51.96 52.95 1b98 s ALA 118 Cb 0.12 0.19 0.05 0.00 0.00 0.00 0.00 23.12 23.48 1b98 s ALA 118 CO 0.68 -0.78 0.29 0.00 0.00 0.00 0.00 175.76 175.96 1b98 s VAL 120 N 1.56 3.05 -0.36 0.00 -7.23 0.11 -4.77 120.40 112.76 1b98 s VAL 120 Ca 0.03 -1.56 -0.26 0.00 -1.81 0.00 0.00 61.98 58.38 1b98 s VAL 120 Cb -0.22 -2.46 0.01 0.00 0.56 0.00 0.00 36.38 34.28 1b98 s VAL 120 CO 0.06 -0.00 0.91 0.00 -0.31 0.00 0.00 175.10 175.76 1b98 s THR 122 N 3.41 5.42 -0.42 0.00 2.01 0.16 -4.88 115.64 121.33 1b98 s THR 122 Ca 0.37 -0.18 -0.13 0.00 0.31 0.00 0.00 61.69 62.07 1b98 s THR 122 Cb -0.12 -3.54 0.05 0.00 0.01 0.00 0.00 72.50 68.90 1b98 s THR 122 CO 0.18 0.31 0.29 -0.76 -0.69 0.00 0.00 174.62 173.95 1b98 s LEU 123 N -1.98 5.12 0.06 4.42 1.43 -1.26 -0.30 118.68 126.18 1b98 s LEU 123 Ca 0.28 -1.16 -0.09 0.00 -1.03 0.00 0.00 54.13 52.12 1b98 s LEU 123 Cb -0.13 -2.09 -0.30 0.00 0.03 0.00 0.00 46.19 43.71 1b98 s LEU 123 CO 0.19 -0.50 1.10 -0.07 0.23 0.00 0.00 176.35 177.31 1b98 h LEU 124 N 8.55 0.62 -7.48 1.79 3.38 -0.64 -3.49 115.31 118.04 1b98 h LEU 124 Ca -0.26 -0.64 0.24 0.00 0.09 0.00 0.00 57.88 57.31 1b98 h LEU 124 Cb 1.10 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 41.56 1b98 h LEU 124 CO 0.75 1.49 0.62 -0.94 0.09 0.00 0.00 178.44 180.46 1b98 s SER 125 N -7.32 -0.13 0.00 -0.43 1.04 -1.20 -4.98 113.70 100.67 1b98 s SER 125 Ca -0.06 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1b98 s SER 125 Cb 0.06 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1b98 s SER 125 CO 0.91 -0.66 0.00 0.54 0.98 0.00 0.00 173.24 175.01