#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q82 s ILE 2 N 0.00 2.03 0.13 -0.61 -4.36 -1.26 -5.11 121.20 112.02 1q82 s ILE 2 Ca 0.00 -0.07 0.01 0.00 -0.26 0.00 0.00 60.65 60.33 1q82 s ILE 2 Cb 0.00 -2.96 -0.04 0.00 1.25 0.00 0.00 42.46 40.70 1q82 s ILE 2 CO 0.00 0.00 -0.02 -0.44 0.24 0.00 0.00 174.94 174.72 1q82 s SER 3 N -4.77 1.01 0.06 4.36 0.01 -1.26 -5.09 113.70 108.02 1q82 s SER 3 Ca 0.69 -1.10 -0.31 0.00 1.31 0.00 0.00 55.95 56.55 1q82 s SER 3 Cb -0.06 0.14 -0.08 0.00 0.21 0.00 0.00 66.02 66.23 1q82 s SER 3 CO 0.51 -0.55 1.55 -0.31 0.41 0.00 0.00 173.24 174.84 1q82 s TYR 4 N -3.72 2.69 -2.17 2.43 1.51 -1.26 -4.83 117.35 112.00 1q82 s TYR 4 Ca 0.18 0.56 0.30 0.00 -1.01 0.00 0.00 57.07 57.10 1q82 s TYR 4 Cb 0.06 -3.85 1.53 0.00 -0.11 0.00 0.00 41.96 39.59 1q82 s TYR 4 CO -0.01 -3.27 2.01 -1.13 -1.11 0.00 0.00 175.55 172.05 1q82 n SER 5 N 5.22 0.62 -4.07 2.29 3.41 -1.26 -4.81 113.62 115.02 1q82 n SER 5 Ca 0.14 -1.16 -0.20 0.00 -0.26 0.00 0.00 58.87 57.40 1q82 n SER 5 Cb 0.41 -0.01 -0.15 0.00 -0.26 0.00 0.00 64.21 64.21 1q82 n SER 5 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1q82 s VAL 6 N -2.04 0.89 0.41 -3.33 1.01 -1.26 -5.13 120.40 110.95 1q82 s VAL 6 Ca 0.43 -0.55 -0.24 0.00 0.00 0.00 0.00 61.98 61.61 1q82 s VAL 6 Cb 0.21 -0.76 -0.08 0.00 0.00 0.00 0.00 36.38 35.75 1q82 s VAL 6 CO 0.36 0.20 1.12 -1.61 0.00 0.00 0.00 175.10 175.18 1q82 s GLU 7 N -0.40 4.05 -0.02 2.72 2.02 -1.26 -5.04 118.70 120.76 1q82 s GLU 7 Ca 0.04 1.71 -0.00 0.00 0.02 0.00 0.00 54.97 56.73 1q82 s GLU 7 Cb -0.05 -2.59 0.03 0.00 0.10 0.00 0.00 34.13 31.62 1q82 s GLU 7 CO -0.00 -0.28 0.04 0.00 0.02 0.00 0.00 175.26 175.03 1q82 s ALA 8 N -1.52 0.07 -0.35 5.21 0.00 -1.26 -5.11 121.76 118.80 1q82 s ALA 8 Ca 0.58 0.33 -0.29 0.00 0.00 0.00 0.00 51.96 52.58 1q82 s ALA 8 Cb -0.27 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.59 1q82 s ALA 8 CO 0.34 -0.12 1.23 0.34 0.00 0.00 0.00 175.76 177.54 1q82 s ASP 9 N 1.12 6.70 0.58 0.00 -1.08 -1.26 -4.92 116.67 117.81 1q82 s ASP 9 Ca -0.09 0.99 0.28 0.00 -0.52 0.00 0.00 52.55 53.22 1q82 s ASP 9 Cb -0.13 -2.54 1.56 0.00 -1.46 0.00 0.00 42.92 40.35 1q82 s ASP 9 CO -0.03 -1.10 2.02 1.55 0.52 0.00 0.00 175.17 178.13 1q82 h PRO 10 N 9.11 0.00 0.00 4.34 0.13 -2.00 -1.74 132.00 141.84 1q82 h PRO 10 Ca -0.24 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 1q82 h PRO 10 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1q82 h PRO 10 CO 1.06 0.00 -0.09 -0.44 -0.23 0.00 0.00 178.00 178.29 1q82 h ASP 11 N 0.00 0.00 0.00 1.44 3.32 -2.03 -3.29 116.42 115.86 1q82 h ASP 11 Ca 0.14 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 1q82 h ASP 11 Cb 0.77 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.10 1q82 h ASP 11 CO -0.00 0.09 -0.78 0.35 -1.72 0.00 0.00 179.24 177.18 1q82 n THR 12 N -3.14 0.73 -3.84 0.35 -2.24 -0.96 -5.06 114.28 100.11 1q82 n THR 12 Ca 0.03 -1.62 -0.12 0.00 -2.27 0.00 0.00 64.05 60.07 1q82 n THR 12 Cb 0.51 0.53 -0.13 0.00 -2.10 0.00 0.00 70.33 69.14 1q82 n THR 12 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1q82 s THR 13 N -1.08 0.01 -0.06 4.28 2.01 -0.70 -2.70 115.64 117.41 1q82 s THR 13 Ca 0.32 -0.10 0.05 0.00 0.31 0.00 0.00 61.69 62.26 1q82 s THR 13 Cb 0.34 -0.19 -0.00 0.00 0.01 0.00 0.00 72.50 72.66 1q82 s THR 13 CO -0.12 -0.06 -0.20 0.00 -0.69 0.00 0.00 174.62 173.56 1q82 s ALA 14 N -0.14 1.75 0.33 7.40 0.00 0.14 -4.73 121.76 126.51 1q82 s ALA 14 Ca -0.02 -0.80 0.09 0.00 0.00 0.00 0.00 51.96 51.23 1q82 s ALA 14 Cb -0.02 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.46 1q82 s ALA 14 CO 0.00 0.30 0.04 0.15 0.00 0.00 0.00 175.76 176.25 1q82 s LYS 15 N 0.07 2.16 -0.17 0.00 1.02 -1.26 0.11 119.74 121.68 1q82 s LYS 15 Ca -0.06 -1.66 -0.30 0.00 0.02 0.00 0.00 55.97 53.96 1q82 s LYS 15 Cb -0.13 -2.01 0.13 0.00 -0.52 0.00 0.00 37.83 35.30 1q82 s LYS 15 CO 0.03 0.16 1.01 0.00 -0.92 0.00 0.00 175.35 175.64 1q82 s ALA 16 N -2.47 -1.94 0.04 5.17 0.00 -0.52 -4.59 121.76 117.45 1q82 s ALA 16 Ca 0.35 1.60 -0.11 0.00 0.00 0.00 0.00 51.96 53.80 1q82 s ALA 16 Cb -0.02 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.37 1q82 s ALA 16 CO 0.20 -0.30 0.24 -1.64 0.00 0.00 0.00 175.76 174.26 1q82 s MET 17 N -1.09 0.73 -0.03 0.00 -1.94 -1.26 -0.78 119.30 114.93 1q82 s MET 17 Ca -0.01 -0.54 0.04 0.00 -1.71 0.00 0.00 55.69 53.47 1q82 s MET 17 Cb -0.00 0.31 -0.03 0.00 2.01 0.00 0.00 34.83 37.12 1q82 s MET 17 CO 0.01 -0.22 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.14 1q82 s LEU 18 N -1.99 2.67 -0.12 -0.03 1.43 -0.43 -4.95 118.68 115.26 1q82 s LEU 18 Ca -0.06 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 1q82 s LEU 18 Cb -0.02 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.67 1q82 s LEU 18 CO -0.03 0.33 -0.22 -0.13 0.23 0.00 0.00 176.35 176.53 1q82 s ARG 19 N -0.83 3.06 -1.57 1.70 1.81 -1.26 -1.81 118.95 120.05 1q82 s ARG 19 Ca 0.12 -0.85 -0.08 0.00 -1.72 0.00 0.00 55.73 53.19 1q82 s ARG 19 Cb -0.11 -2.39 0.07 0.00 -0.45 0.00 0.00 34.95 32.08 1q82 s ARG 19 CO 0.01 0.09 0.51 0.39 -0.68 0.00 0.00 175.30 175.62 1q82 n GLU 20 N 3.79 -2.78 -2.51 3.54 1.02 -0.43 -4.90 120.64 118.37 1q82 n GLU 20 Ca -0.19 0.33 -0.41 0.00 -0.02 0.00 0.00 57.16 56.86 1q82 n GLU 20 Cb 0.52 -4.62 -0.04 0.00 -0.02 0.00 0.00 31.44 27.29 1q82 n GLU 20 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1q82 s ARG 21 N -6.86 4.54 -0.91 3.49 1.81 0.26 -4.54 118.95 116.74 1q82 s ARG 21 Ca 0.33 1.69 -0.19 0.00 -1.72 0.00 0.00 55.73 55.84 1q82 s ARG 21 Cb -0.18 -3.32 0.12 0.00 -0.45 0.00 0.00 34.95 31.11 1q82 s ARG 21 CO 0.93 -0.04 1.13 -0.65 -0.68 0.00 0.00 175.30 175.99 1q82 s GLN 22 N 0.27 3.55 0.30 3.54 -0.21 -1.26 0.82 119.66 126.68 1q82 s GLN 22 Ca 0.53 -1.62 -0.15 0.00 0.02 0.00 0.00 55.36 54.14 1q82 s GLN 22 Cb -0.28 -4.88 0.02 0.00 1.00 0.00 0.00 33.01 28.86 1q82 s GLN 22 CO 0.32 -1.81 0.63 0.00 -2.12 0.00 0.00 175.29 172.31 1q82 s MET 23 N 2.99 1.83 -0.05 2.91 0.23 -1.24 -4.99 119.30 120.99 1q82 s MET 23 Ca 0.33 -1.27 -0.29 0.00 -1.03 0.00 0.00 55.69 53.42 1q82 s MET 23 Cb -0.06 0.55 -0.07 0.00 -1.53 0.00 0.00 34.83 33.72 1q82 s MET 23 CO -0.08 -0.81 1.93 0.45 -2.03 0.00 0.00 175.02 174.49 1q82 s SER 24 N -3.02 6.29 0.25 -1.18 0.15 -1.26 -4.57 113.70 110.36 1q82 s SER 24 Ca 0.18 2.37 0.01 0.00 0.70 0.00 0.00 55.95 59.20 1q82 s SER 24 Cb -0.03 -2.53 0.32 0.00 -1.71 0.00 0.00 66.02 62.07 1q82 s SER 24 CO 0.10 -1.22 1.66 0.15 1.20 0.00 0.00 173.24 175.14 1q82 h PHE 25 N 11.27 0.61 -0.68 3.44 3.57 -1.95 -2.20 116.94 131.00 1q82 h PHE 25 Ca -0.45 -0.15 -0.07 0.00 3.53 0.00 0.00 57.97 60.83 1q82 h PHE 25 Cb 1.22 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 1q82 h PHE 25 CO 0.94 0.78 0.13 0.87 -2.23 0.00 0.00 178.31 178.80 1q82 h LYS 26 N 0.46 1.10 -0.51 1.11 1.57 -2.01 -2.20 116.57 116.08 1q82 h LYS 26 Ca 0.06 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.48 1q82 h LYS 26 Cb 0.76 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 1q82 h LYS 26 CO 0.06 0.99 0.04 0.45 -0.57 0.00 0.00 179.45 180.42 1q82 h HIS 27 N 1.04 0.95 -0.31 -1.35 3.86 -1.90 -3.10 115.15 114.34 1q82 h HIS 27 Ca 0.21 -0.15 0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1q82 h HIS 27 Cb 0.41 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.60 1q82 h HIS 27 CO 0.03 0.87 0.15 0.77 0.86 0.00 0.00 177.93 180.61 1q82 h SER 28 N 0.75 0.21 -0.31 2.45 0.02 -1.15 -0.87 113.55 114.65 1q82 h SER 28 Ca 0.15 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.18 1q82 h SER 28 Cb 0.47 -0.02 -0.08 0.00 0.14 0.00 0.00 62.40 62.90 1q82 h SER 28 CO 0.02 0.16 -0.33 0.11 -1.14 0.00 0.00 176.83 175.65 1q82 h LYS 29 N 0.31 -0.30 -0.57 3.45 1.57 -1.34 0.16 116.57 119.86 1q82 h LYS 29 Ca 0.13 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.03 1q82 h LYS 29 Cb 0.05 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.34 1q82 h LYS 29 CO -0.09 -0.20 0.09 0.00 -0.57 0.00 0.00 179.45 178.68 1q82 h ALA 30 N 0.61 0.63 0.33 3.86 0.00 -1.40 0.28 119.26 123.58 1q82 h ALA 30 Ca 0.14 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1q82 h ALA 30 Cb 0.54 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1q82 h ALA 30 CO -0.48 -0.33 -0.16 0.82 0.00 0.00 0.00 179.25 179.10 1q82 h ILE 31 N 0.22 0.66 -0.05 0.00 2.04 -0.45 -1.09 117.51 118.84 1q82 h ILE 31 Ca 0.29 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.65 1q82 h ILE 31 Cb 0.44 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 1q82 h ILE 31 CO -0.40 0.10 -0.44 0.00 0.00 0.00 0.00 178.15 177.41 1q82 h ALA 32 N -0.22 -0.84 -0.91 1.87 0.00 -0.33 -0.69 119.26 118.13 1q82 h ALA 32 Ca -0.05 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 54.98 1q82 h ALA 32 Cb 0.50 0.90 -0.17 0.00 0.00 0.00 0.00 17.79 19.02 1q82 h ALA 32 CO 0.07 -0.99 -0.26 -2.13 0.00 0.00 0.00 179.25 175.95 1q82 n ARG 33 N -4.89 -0.11 -0.18 0.00 0.63 0.97 -1.27 116.66 111.80 1q82 n ARG 33 Ca -0.06 1.42 -0.10 0.00 -0.92 0.00 0.00 57.85 58.19 1q82 n ARG 33 Cb 0.32 -2.11 0.01 0.00 0.45 0.00 0.00 32.46 31.12 1q82 n ARG 33 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1q82 h GLU 34 N 0.00 0.91 -0.01 -0.14 4.57 0.17 -3.29 114.58 116.81 1q82 h GLU 34 Ca 0.41 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1q82 h GLU 34 Cb 0.64 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1q82 h GLU 34 CO -0.93 0.94 -0.24 0.44 -1.18 0.00 0.00 179.01 178.04 1q82 n ILE 35 N -4.30 0.00 -1.88 2.32 -5.35 -0.40 -4.86 119.36 104.89 1q82 n ILE 35 Ca 0.01 -0.08 -0.41 0.00 -0.27 0.00 0.00 62.75 62.00 1q82 n ILE 35 Cb 0.32 0.19 -0.01 0.00 -1.74 0.00 0.00 39.64 38.40 1q82 n ILE 35 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1q82 s LYS 36 N -2.59 4.17 0.00 6.28 2.20 -0.90 -1.64 119.74 127.27 1q82 s LYS 36 Ca 0.23 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.33 1q82 s LYS 36 Cb 0.19 -3.01 0.00 0.00 -1.51 0.00 0.00 37.83 33.50 1q82 s LYS 36 CO 0.53 -0.47 0.00 0.41 -0.36 0.00 0.00 175.35 175.46 1q82 n GLY 37 N 0.92 2.72 3.89 5.54 0.00 -0.43 -5.01 105.19 112.82 1q82 n GLY 37 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1q82 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q82 s LYS 38 N -0.45 2.53 0.04 1.61 1.02 -0.65 -4.59 119.74 119.25 1q82 s LYS 38 Ca 0.00 0.27 -0.23 0.00 0.02 0.00 0.00 55.97 56.03 1q82 s LYS 38 Cb 0.00 -2.02 -0.06 0.00 -0.52 0.00 0.00 37.83 35.23 1q82 s LYS 38 CO 0.00 -1.21 0.71 0.99 -0.92 0.00 0.00 175.35 174.92 1q82 s THR 39 N -3.40 4.77 0.26 2.17 2.01 -1.26 -0.53 115.64 119.66 1q82 s THR 39 Ca 0.59 1.51 -0.01 0.00 0.31 0.00 0.00 61.69 64.09 1q82 s THR 39 Cb -0.11 -4.05 0.38 0.00 0.01 0.00 0.00 72.50 68.73 1q82 s THR 39 CO 0.50 0.39 1.37 0.00 -0.69 0.00 0.00 174.62 176.19 1q82 n ALA 40 N 2.70 0.37 0.08 7.40 0.00 0.27 0.39 120.51 131.71 1q82 n ALA 40 Ca -0.04 0.95 -0.13 0.00 0.00 0.00 0.00 53.44 54.22 1q82 n ALA 40 Cb 0.50 -0.65 -0.08 0.00 0.00 0.00 0.00 19.45 19.23 1q82 n ALA 40 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1q82 h GLY 41 N 0.00 -0.13 0.39 0.00 0.00 -1.53 -0.94 103.07 100.86 1q82 h GLY 41 Ca 0.49 0.05 0.11 0.00 0.00 0.00 0.00 47.33 47.98 1q82 h GLY 41 CO -0.85 -0.05 0.39 0.83 0.00 0.00 0.00 176.54 176.86 1q82 h GLU 42 N -0.21 0.60 -0.50 4.80 5.08 -0.33 -0.35 114.58 123.67 1q82 h GLU 42 Ca -0.01 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1q82 h GLU 42 Cb 0.17 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1q82 h GLU 42 CO 0.02 0.40 0.25 0.00 -1.00 0.00 0.00 179.01 178.68 1q82 h ALA 43 N 1.47 0.64 0.38 3.43 0.00 -0.16 0.31 119.26 125.33 1q82 h ALA 43 Ca 0.39 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1q82 h ALA 43 Cb 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1q82 h ALA 43 CO -0.30 -0.10 -0.19 0.28 0.00 0.00 0.00 179.25 178.94 1q82 h VAL 44 N 0.49 0.61 -0.64 0.00 2.07 0.29 -0.59 116.25 118.48 1q82 h VAL 44 Ca 0.22 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.82 1q82 h VAL 44 Cb 0.14 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 1q82 h VAL 44 CO -0.16 0.00 0.30 0.44 0.02 0.00 0.00 177.57 178.17 1q82 h ASP 45 N -0.52 0.38 0.45 0.57 3.32 -0.90 -1.53 116.42 118.19 1q82 h ASP 45 Ca -0.05 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1q82 h ASP 45 Cb 0.41 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1q82 h ASP 45 CO 0.08 0.23 -0.43 0.22 -1.72 0.00 0.00 179.24 177.62 1q82 h TYR 46 N 0.54 -1.18 -0.35 4.55 3.20 -0.64 -1.30 116.97 121.79 1q82 h TYR 46 Ca 0.31 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.29 1q82 h TYR 46 Cb 0.31 0.46 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 1q82 h TYR 46 CO -0.12 -0.59 0.27 -0.07 -1.64 0.00 0.00 178.16 176.00 1q82 h LEU 47 N -0.89 0.00 -0.30 2.82 3.38 -0.76 0.68 115.31 120.24 1q82 h LEU 47 Ca -0.04 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.73 1q82 h LEU 47 Cb 0.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1q82 h LEU 47 CO -0.06 0.00 -0.85 -0.33 0.09 0.00 0.00 178.44 177.29 1q82 h GLU 48 N 0.00 0.30 -0.24 1.13 5.08 -0.66 -1.69 114.58 118.49 1q82 h GLU 48 Ca 0.17 -0.30 -0.12 0.00 -1.00 0.00 0.00 59.36 58.11 1q82 h GLU 48 Cb 0.70 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1q82 h GLU 48 CO -0.00 0.99 -0.37 0.00 -1.00 0.00 0.00 179.01 178.63 1q82 h ALA 49 N 0.91 0.92 0.66 3.43 0.00 0.20 0.27 119.26 125.64 1q82 h ALA 49 Ca -0.05 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1q82 h ALA 49 Cb 1.46 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.14 1q82 h ALA 49 CO 0.14 0.62 -0.32 0.28 0.00 0.00 0.00 179.25 179.98 1q82 h VAL 50 N 0.45 0.34 -0.74 0.00 2.07 -0.94 0.48 116.25 117.91 1q82 h VAL 50 Ca 0.05 -0.05 0.14 0.00 0.82 0.00 0.00 66.70 67.65 1q82 h VAL 50 Cb 0.85 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1q82 h VAL 50 CO 0.07 0.01 0.49 0.40 0.02 0.00 0.00 177.57 178.56 1q82 h ILE 51 N -0.92 0.83 0.00 4.57 2.04 -1.15 0.39 117.51 123.27 1q82 h ILE 51 Ca -0.09 -0.16 -0.11 0.00 1.00 0.00 0.00 64.86 65.50 1q82 h ILE 51 Cb 0.69 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1q82 h ILE 51 CO 0.15 0.08 -0.52 -0.08 0.00 0.00 0.00 178.15 177.78 1q82 h GLU 52 N 0.46 0.00 0.00 2.37 4.57 -0.34 -3.48 114.58 118.16 1q82 h GLU 52 Ca 0.36 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.54 1q82 h GLU 52 Cb 0.76 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1q82 h GLU 52 CO -0.12 0.52 0.00 0.41 -1.18 0.00 0.00 179.01 178.64 1q82 n GLY 53 N 0.71 0.84 0.39 1.92 0.00 0.14 -4.95 105.19 104.25 1q82 n GLY 53 Ca 0.00 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 45.90 1q82 n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q82 n ASP 54 N 0.41 1.77 -3.78 1.61 8.00 0.26 -4.88 116.55 119.94 1q82 n ASP 54 Ca 0.00 -1.38 -0.18 0.00 0.71 0.00 0.00 54.79 53.93 1q82 n ASP 54 Cb 0.00 0.55 -0.17 0.00 -0.02 0.00 0.00 41.12 41.48 1q82 n ASP 54 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1q82 s GLN 55 N -2.37 0.24 0.21 -1.24 2.00 -1.11 -4.95 119.66 112.44 1q82 s GLN 55 Ca 0.15 0.15 -0.05 0.00 -2.00 0.00 0.00 55.36 53.61 1q82 s GLN 55 Cb 0.16 -0.55 -0.06 0.00 0.80 0.00 0.00 33.01 33.37 1q82 s GLN 55 CO 0.56 -0.20 0.46 -1.25 -0.50 0.00 0.00 175.29 174.35 1q82 s PRO 56 N 1.41 3.65 -0.30 1.67 0.04 -1.26 -3.96 135.00 136.25 1q82 s PRO 56 Ca -0.04 -0.02 -0.13 0.00 0.04 0.00 0.00 61.00 60.85 1q82 s PRO 56 Cb -0.13 -2.75 -0.04 0.00 0.04 0.00 0.00 34.50 31.62 1q82 s PRO 56 CO -0.03 0.36 0.26 0.08 0.04 0.00 0.00 177.00 177.71 1q82 s VAL 57 N -1.83 5.26 0.23 -0.36 1.01 0.12 -4.87 120.40 119.96 1q82 s VAL 57 Ca 0.43 0.17 -0.31 0.00 0.00 0.00 0.00 61.98 62.27 1q82 s VAL 57 Cb -0.11 -3.63 -0.11 0.00 0.00 0.00 0.00 36.38 32.53 1q82 s VAL 57 CO 0.26 0.14 1.58 -2.84 0.00 0.00 0.00 175.10 174.24 1q82 s PRO 58 N 1.85 4.18 -0.56 2.72 0.02 -1.26 -2.14 135.00 139.80 1q82 s PRO 58 Ca 0.09 2.47 -0.10 0.00 0.02 0.00 0.00 61.00 63.48 1q82 s PRO 58 Cb -0.16 -3.09 0.14 0.00 0.02 0.00 0.00 34.50 31.42 1q82 s PRO 58 CO 0.11 -0.60 0.45 -0.06 -0.33 0.00 0.00 177.00 176.56 1q82 s PHE 59 N 0.51 3.47 -0.12 6.54 2.99 -0.86 -4.84 117.98 125.67 1q82 s PHE 59 Ca 0.66 -1.98 0.18 0.00 0.00 0.00 0.00 56.93 55.79 1q82 s PHE 59 Cb -0.46 -3.53 -0.18 0.00 0.00 0.00 0.00 43.02 38.85 1q82 s PHE 59 CO 0.40 -0.97 0.65 1.63 -0.00 0.00 0.00 175.22 176.93 1q82 n LYS 60 N 4.56 0.64 -0.08 0.44 5.02 -1.26 -4.49 118.16 122.98 1q82 n LYS 60 Ca -0.02 0.13 -0.15 0.00 -2.02 0.00 0.00 58.31 56.25 1q82 n LYS 60 Cb 0.41 -1.72 -0.07 0.00 -0.02 0.00 0.00 35.03 33.63 1q82 n LYS 60 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1q82 n GLN 61 N -2.78 0.37 -2.93 1.97 7.27 -1.26 -4.75 117.38 115.26 1q82 n GLN 61 Ca -0.13 0.13 -0.43 0.00 0.07 0.00 0.00 57.00 56.64 1q82 n GLN 61 Cb 0.86 -1.19 0.01 0.00 2.41 0.00 0.00 30.24 32.32 1q82 n GLN 61 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1q82 n HIS 62 N -3.41 2.28 0.07 3.69 8.25 -1.26 -4.70 115.22 120.14 1q82 n HIS 62 Ca -0.31 -2.58 0.04 0.00 -0.26 0.00 0.00 57.72 54.61 1q82 n HIS 62 Cb 0.76 -1.31 0.07 0.00 1.12 0.00 0.00 29.99 30.63 1q82 n HIS 62 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1q82 n ASN 63 N 1.51 2.14 -4.67 0.41 0.23 -1.26 -4.95 115.26 108.68 1q82 n ASN 63 Ca 0.28 -1.68 -0.46 0.00 -0.53 0.00 0.00 54.58 52.18 1q82 n ASN 63 Cb 0.33 -0.08 -0.04 0.00 -2.08 0.00 0.00 39.78 37.91 1q82 n ASN 63 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1q82 n SER 64 N 0.27 3.10 0.00 0.53 3.41 -1.26 -0.83 113.62 118.83 1q82 n SER 64 Ca 0.06 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.74 1q82 n SER 64 Cb 0.28 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 62.81 1q82 n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1q82 n GLY 65 N 3.48 0.64 3.75 5.00 0.00 -1.26 -4.98 105.19 111.82 1q82 n GLY 65 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1q82 n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q82 s VAL 66 N -2.92 3.75 0.30 1.61 1.01 -0.01 -5.01 120.40 119.14 1q82 s VAL 66 Ca 0.00 1.67 -0.16 0.00 0.00 0.00 0.00 61.98 63.49 1q82 s VAL 66 Cb 0.00 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 1q82 s VAL 66 CO 0.00 0.36 0.74 -0.83 0.00 0.00 0.00 175.10 175.37 1q82 s GLY 67 N -0.66 2.40 0.66 4.51 0.00 -1.26 -4.84 107.32 108.13 1q82 s GLY 67 Ca 0.45 0.08 -0.17 0.00 0.00 0.00 0.00 44.72 45.09 1q82 s GLY 67 CO 0.37 0.33 1.20 0.30 0.00 0.00 0.00 173.10 175.30 1q82 s HIS 68 N -1.89 2.26 -0.09 1.90 0.09 -1.26 -3.63 115.29 112.68 1q82 s HIS 68 Ca 0.52 1.55 0.00 0.00 -0.00 0.00 0.00 55.06 57.14 1q82 s HIS 68 Cb -0.12 -3.44 0.02 0.00 -0.00 0.00 0.00 32.58 29.04 1q82 s HIS 68 CO 0.18 -2.34 -0.08 0.15 -0.00 0.00 0.00 174.74 172.65 1q82 s LYS 69 N -3.69 1.38 0.32 1.40 -0.14 0.06 -4.86 119.74 114.21 1q82 s LYS 69 Ca 0.75 -0.24 0.02 0.00 -1.36 0.00 0.00 55.97 55.14 1q82 s LYS 69 Cb -0.29 -1.37 0.58 0.00 -1.68 0.00 0.00 37.83 35.07 1q82 s LYS 69 CO 0.40 -0.17 1.92 0.66 -0.76 0.00 0.00 175.35 177.40 1q82 h SER 70 N 7.73 0.85 0.78 2.83 4.64 -1.96 -2.32 113.55 126.10 1q82 h SER 70 Ca -0.30 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1q82 h SER 70 Cb 1.15 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1q82 h SER 70 CO 0.42 0.54 0.00 0.11 -0.87 0.00 0.00 176.83 177.03 1q82 h LYS 71 N 0.96 0.00 -6.50 4.77 1.57 -1.96 -3.43 116.57 111.99 1q82 h LYS 71 Ca 0.38 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.62 1q82 h LYS 71 Cb 0.23 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.55 1q82 h LYS 71 CO -0.14 0.00 0.75 0.08 -0.57 0.00 0.00 179.45 179.57 1q82 s VAL 72 N -3.41 3.45 -0.19 0.50 1.01 -0.88 -4.98 120.40 115.90 1q82 s VAL 72 Ca 0.03 1.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.96 1q82 s VAL 72 Cb 0.09 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 1q82 s VAL 72 CO 0.43 0.05 -0.01 -0.62 0.00 0.00 0.00 175.10 174.95 1q82 s ASP 73 N 1.34 4.80 0.00 3.32 2.15 -1.26 -4.34 116.67 122.68 1q82 s ASP 73 Ca 0.64 -0.19 0.00 0.00 0.43 0.00 0.00 52.55 53.43 1q82 s ASP 73 Cb -0.35 -1.81 0.00 0.00 -0.30 0.00 0.00 42.92 40.46 1q82 s ASP 73 CO 0.29 0.09 0.00 0.61 -0.17 0.00 0.00 175.17 175.99 1q82 n GLY 74 N 4.08 0.85 3.65 2.66 0.00 -1.26 -4.98 105.19 110.19 1q82 n GLY 74 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 1q82 n GLY 74 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1q82 s TRP 75 N -3.35 0.58 0.06 1.61 -0.11 -1.26 -5.14 118.94 111.33 1q82 s TRP 75 Ca 0.00 -1.02 -0.01 0.00 1.22 0.00 0.00 56.10 56.29 1q82 s TRP 75 Cb 0.00 0.36 -0.01 0.00 -1.50 0.00 0.00 33.47 32.32 1q82 s TRP 75 CO 0.00 -1.33 -0.03 -0.40 -4.62 0.00 0.00 176.95 170.58 1q82 n ASP 76 N -1.34 0.92 -4.77 5.86 5.68 -1.26 -4.71 116.55 116.93 1q82 n ASP 76 Ca -0.03 0.12 -0.39 0.00 -0.50 0.00 0.00 54.79 53.99 1q82 n ASP 76 Cb 0.61 -0.29 -0.04 0.00 -1.14 0.00 0.00 41.12 40.25 1q82 n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1q82 s ALA 77 N -2.06 3.28 -0.13 2.12 0.00 -1.26 -0.76 121.76 122.95 1q82 s ALA 77 Ca -0.02 0.81 -0.31 0.00 0.00 0.00 0.00 51.96 52.44 1q82 s ALA 77 Cb 0.00 -3.30 0.13 0.00 0.00 0.00 0.00 23.12 19.95 1q82 s ALA 77 CO 0.03 -0.17 1.06 0.20 0.00 0.00 0.00 175.76 176.88 1q82 s GLY 78 N -1.15 -0.31 0.02 0.00 0.00 -1.24 -2.02 107.32 102.62 1q82 s GLY 78 Ca 0.50 1.61 0.00 0.00 0.00 0.00 0.00 44.72 46.83 1q82 s GLY 78 CO 0.36 0.63 0.02 0.54 0.00 0.00 0.00 173.10 174.65 1q82 n ARG 79 N 0.10 0.03 -3.34 2.90 1.74 -0.91 -4.74 116.66 112.44 1q82 n ARG 79 Ca -0.05 -0.19 -0.26 0.00 -0.77 0.00 0.00 57.85 56.58 1q82 n ARG 79 Cb 0.59 0.16 -0.08 0.00 -1.02 0.00 0.00 32.46 32.12 1q82 n ARG 79 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1q82 n TYR 80 N -0.04 2.82 -1.67 -1.55 4.02 -1.26 0.11 117.16 119.59 1q82 n TYR 80 Ca 0.00 -4.02 -0.16 0.00 -0.01 0.00 0.00 57.90 53.71 1q82 n TYR 80 Cb 0.03 -0.51 -0.07 0.00 -0.02 0.00 0.00 39.34 38.77 1q82 n TYR 80 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 1q82 s PRO 81 N -2.28 1.75 0.13 -0.72 0.02 -1.26 -4.81 135.00 127.84 1q82 s PRO 81 Ca 0.39 0.23 -0.06 0.00 0.02 0.00 0.00 61.00 61.59 1q82 s PRO 81 Cb 0.16 -4.86 -0.07 0.00 0.02 0.00 0.00 34.50 29.75 1q82 s PRO 81 CO -0.04 -4.34 1.33 1.05 -0.33 0.00 0.00 177.00 174.67 1q82 h GLU 82 N 12.27 0.50 0.54 5.54 4.11 -1.93 -2.20 114.58 133.42 1q82 h GLU 82 Ca 0.02 -0.48 -0.03 0.00 0.07 0.00 0.00 59.36 58.95 1q82 h GLU 82 Cb 1.00 0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.37 1q82 h GLU 82 CO 1.05 1.11 -0.26 -0.22 0.07 0.00 0.00 179.01 180.76 1q82 h LYS 83 N 0.31 -0.70 -0.71 1.06 3.64 -2.00 0.50 116.57 118.69 1q82 h LYS 83 Ca -0.07 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1q82 h LYS 83 Cb 1.48 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 33.42 1q82 h LYS 83 CO 0.16 -0.43 0.46 0.00 -2.27 0.00 0.00 179.45 177.37 1q82 h ALA 84 N -0.38 1.49 -0.58 5.00 0.00 -1.94 -1.92 119.26 120.93 1q82 h ALA 84 Ca -0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1q82 h ALA 84 Cb 0.59 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1q82 h ALA 84 CO 0.12 0.47 0.36 0.77 0.00 0.00 0.00 179.25 180.97 1q82 h SER 85 N 0.96 0.69 -0.76 0.00 0.02 -1.03 -0.88 113.55 112.54 1q82 h SER 85 Ca 0.26 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1q82 h SER 85 Cb -0.11 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.23 1q82 h SER 85 CO -0.06 0.53 0.33 0.11 -1.14 0.00 0.00 176.83 176.61 1q82 h LYS 86 N 0.78 1.13 -0.17 3.45 1.57 -0.22 -0.88 116.57 122.24 1q82 h LYS 86 Ca 0.21 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1q82 h LYS 86 Cb -0.04 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 1q82 h LYS 86 CO -0.04 0.90 -0.23 0.00 -0.57 0.00 0.00 179.45 179.51 1q82 h ALA 87 N 1.25 1.30 -0.11 3.86 0.00 -0.85 -1.55 119.26 123.16 1q82 h ALA 87 Ca 0.26 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1q82 h ALA 87 Cb 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1q82 h ALA 87 CO -0.03 0.47 -0.63 0.74 0.00 0.00 0.00 179.25 179.81 1q82 h PHE 88 N 0.28 0.53 -0.00 0.00 -1.00 -0.20 -1.39 116.94 115.15 1q82 h PHE 88 Ca 0.05 -0.21 -0.05 0.00 2.81 0.00 0.00 57.97 60.57 1q82 h PHE 88 Cb 0.56 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 40.02 1q82 h PHE 88 CO 0.01 0.92 -0.25 -0.07 -1.61 0.00 0.00 178.31 177.31 1q82 h LEU 89 N 0.30 0.01 -0.16 1.54 3.38 -0.63 0.34 115.31 120.09 1q82 h LEU 89 Ca -0.01 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1q82 h LEU 89 Cb 1.17 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1q82 h LEU 89 CO 0.11 0.26 -0.24 0.44 0.09 0.00 0.00 178.44 179.09 1q82 h ASP 90 N 0.01 0.49 -0.31 -0.43 5.19 -0.96 -0.75 116.42 119.66 1q82 h ASP 90 Ca -0.00 -0.52 0.03 0.00 -0.62 0.00 0.00 57.03 55.91 1q82 h ASP 90 Cb 0.45 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.79 1q82 h ASP 90 CO 0.03 0.92 0.12 0.25 -3.12 0.00 0.00 179.24 177.45 1q82 h LEU 91 N 0.08 0.15 -0.76 1.55 5.85 -0.14 -2.21 115.31 119.83 1q82 h LEU 91 Ca 0.02 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 1q82 h LEU 91 Cb 0.82 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1q82 h LEU 91 CO 0.06 0.12 0.09 -0.07 -0.34 0.00 0.00 178.44 178.30 1q82 h LEU 92 N 0.26 0.99 -0.86 2.25 3.38 -0.31 -1.70 115.31 119.33 1q82 h LEU 92 Ca 0.13 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1q82 h LEU 92 Cb 0.09 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1q82 h LEU 92 CO -0.12 1.00 0.55 -0.08 0.09 0.00 0.00 178.44 179.87 1q82 h GLU 93 N 0.97 1.14 0.53 1.13 4.81 -0.86 0.21 114.58 122.52 1q82 h GLU 93 Ca 0.19 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1q82 h GLU 93 Cb 0.43 -0.25 0.01 0.00 0.63 0.00 0.00 28.75 29.57 1q82 h GLU 93 CO 0.01 0.77 -0.26 -0.97 -0.73 0.00 0.00 179.01 177.84 1q82 h ASN 94 N 1.17 -0.61 -0.34 1.04 -1.24 -1.21 -0.24 115.58 114.14 1q82 h ASN 94 Ca 0.31 -0.05 0.07 0.00 0.71 0.00 0.00 56.30 57.34 1q82 h ASN 94 Cb -0.11 0.16 -0.07 0.00 0.73 0.00 0.00 38.32 39.03 1q82 h ASN 94 CO -0.06 -0.25 -0.11 0.00 -1.29 0.00 0.00 177.43 175.72 1q82 h ALA 95 N -0.76 0.19 -0.15 1.57 0.00 -1.09 0.34 119.26 119.35 1q82 h ALA 95 Ca -0.07 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1q82 h ALA 95 Cb 0.63 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1q82 h ALA 95 CO 0.12 -0.48 -0.07 0.28 0.00 0.00 0.00 179.25 179.10 1q82 h VAL 96 N -0.03 1.14 -0.30 0.00 2.07 -0.61 0.20 116.25 118.72 1q82 h VAL 96 Ca 0.17 -0.60 -0.13 0.00 0.82 0.00 0.00 66.70 66.96 1q82 h VAL 96 Cb 0.29 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1q82 h VAL 96 CO -0.37 0.19 -0.31 1.23 0.02 0.00 0.00 177.57 178.33 1q82 h GLY 97 N 0.61 0.81 1.30 2.17 0.00 0.68 -2.06 103.07 106.58 1q82 h GLY 97 Ca 0.05 -0.83 -0.07 0.00 0.00 0.00 0.00 47.33 46.48 1q82 h GLY 97 CO 0.01 0.75 0.07 3.43 0.00 0.00 0.00 176.54 180.80 1q82 h ASN 98 N 0.50 0.82 -0.45 0.19 -0.26 0.39 -2.22 115.58 114.55 1q82 h ASN 98 Ca 0.05 -0.18 -0.08 0.00 -0.56 0.00 0.00 56.30 55.53 1q82 h ASN 98 Cb 0.89 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.91 1q82 h ASN 98 CO 0.08 0.85 -0.00 0.00 -1.06 0.00 0.00 177.43 177.29 1q82 h ALA 99 N 1.25 1.03 -0.21 -0.83 0.00 -0.51 -3.00 119.26 116.99 1q82 h ALA 99 Ca 0.17 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1q82 h ALA 99 Cb 0.39 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1q82 h ALA 99 CO 0.01 0.60 -0.47 -0.44 0.00 0.00 0.00 179.25 178.95 1q82 h ASP 100 N 0.80 0.77 0.11 0.00 3.32 -0.99 -1.41 116.42 119.03 1q82 h ASP 100 Ca 0.15 -0.56 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1q82 h ASP 100 Cb 0.48 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1q82 h ASP 100 CO 0.02 1.19 0.00 1.57 -1.72 0.00 0.00 179.24 180.31 1q82 n HIS 101 N -4.17 0.07 0.76 4.55 -0.00 -0.87 -0.17 115.22 115.39 1q82 n HIS 101 Ca -0.06 0.03 0.08 0.00 0.46 0.00 0.00 57.72 58.24 1q82 n HIS 101 Cb 0.58 -0.55 0.00 0.00 -0.12 0.00 0.00 29.99 29.90 1q82 n HIS 101 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1q82 n GLN 102 N -1.57 1.59 -0.02 1.57 6.02 -1.04 -4.98 117.38 118.95 1q82 n GLN 102 Ca 0.01 -0.90 0.00 0.00 -0.01 0.00 0.00 57.00 56.10 1q82 n GLN 102 Cb 0.04 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 29.99 1q82 n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1q82 n GLY 103 N 1.18 0.38 3.93 1.08 0.00 0.76 -5.08 105.19 107.44 1q82 n GLY 103 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1q82 n GLY 103 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1q82 n PHE 104 N -2.00 -3.91 -3.51 1.61 3.01 -0.56 -4.99 117.46 107.11 1q82 n PHE 104 Ca 0.00 -1.25 -0.41 0.00 1.01 0.00 0.00 57.45 56.81 1q82 n PHE 104 Cb 0.00 -1.02 -0.05 0.00 -0.01 0.00 0.00 39.48 38.41 1q82 n PHE 104 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1q82 s ASP 105 N -5.88 6.33 0.00 4.37 2.15 -1.26 -4.32 116.67 118.06 1q82 s ASP 105 Ca 0.76 -3.29 0.00 0.00 0.43 0.00 0.00 52.55 50.45 1q82 s ASP 105 Cb -0.02 -2.04 0.00 0.00 -0.30 0.00 0.00 42.92 40.56 1q82 s ASP 105 CO 0.53 -0.33 0.56 0.61 -0.17 0.00 0.00 175.17 176.37 1q82 n GLY 106 N 3.02 -2.47 0.34 2.66 0.00 -1.26 -1.65 105.19 105.83 1q82 n GLY 106 Ca 0.18 0.50 0.29 0.00 0.00 0.00 0.00 46.02 46.99 1q82 n GLY 106 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1q82 h GLU 107 N 0.00 0.13 0.00 1.61 5.08 -1.94 0.38 114.58 119.84 1q82 h GLU 107 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1q82 h GLU 107 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1q82 h GLU 107 CO 0.00 0.08 0.00 0.00 -1.00 0.00 0.00 179.01 178.09 1q82 n ALA 108 N -2.29 2.40 -1.79 3.43 0.00 -0.66 -1.47 120.51 120.13 1q82 n ALA 108 Ca 0.36 -0.13 -0.35 0.00 0.00 0.00 0.00 53.44 53.31 1q82 n ALA 108 Cb 1.19 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 19.16 1q82 n ALA 108 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1q82 s MET 109 N -2.58 3.68 0.13 0.00 -1.94 0.13 -4.66 119.30 114.06 1q82 s MET 109 Ca 0.26 1.50 -0.18 0.00 -1.71 0.00 0.00 55.69 55.57 1q82 s MET 109 Cb 0.19 -2.14 -0.07 0.00 2.01 0.00 0.00 34.83 34.82 1q82 s MET 109 CO 0.43 -0.55 0.60 0.99 -0.01 0.00 0.00 175.02 176.48 1q82 s THR 110 N -1.84 4.73 -0.93 2.05 2.01 -0.29 -0.56 115.64 120.81 1q82 s THR 110 Ca 0.68 1.11 -0.24 0.00 0.31 0.00 0.00 61.69 63.55 1q82 s THR 110 Cb -0.21 -3.84 0.05 0.00 0.01 0.00 0.00 72.50 68.51 1q82 s THR 110 CO 0.24 0.37 1.38 -0.63 -0.69 0.00 0.00 174.62 175.30 1q82 s ILE 111 N -1.32 3.91 0.14 1.82 1.01 0.31 -0.96 121.20 126.11 1q82 s ILE 111 Ca 0.35 -0.47 -0.12 0.00 0.00 0.00 0.00 60.65 60.41 1q82 s ILE 111 Cb -0.17 -5.00 -0.01 0.00 0.01 0.00 0.00 42.46 37.28 1q82 s ILE 111 CO 0.20 -1.89 1.55 0.50 0.00 0.00 0.00 174.94 175.29 1q82 h LYS 112 N 9.82 0.87 -3.17 2.79 3.64 -1.40 -1.14 116.57 127.98 1q82 h LYS 112 Ca 0.06 -0.34 -0.15 0.00 -1.27 0.00 0.00 60.65 58.95 1q82 h LYS 112 Cb 1.02 -0.05 -0.24 0.00 -0.41 0.00 0.00 32.23 32.55 1q82 h LYS 112 CO 1.37 0.98 -0.41 -1.58 -2.27 0.00 0.00 179.45 177.54 1q82 s HIS 113 N -4.78 -0.22 -0.30 1.91 5.04 -1.12 -4.82 115.29 111.00 1q82 s HIS 113 Ca -0.12 0.51 -0.09 0.00 -1.54 0.00 0.00 55.06 53.81 1q82 s HIS 113 Cb 0.11 0.07 0.14 0.00 0.04 0.00 0.00 32.58 32.95 1q82 s HIS 113 CO 0.84 -0.19 0.67 0.54 -2.34 0.00 0.00 174.74 174.26 1q82 s VAL 114 N -0.27 -0.96 -0.05 0.89 0.11 -1.26 -0.57 120.40 118.29 1q82 s VAL 114 Ca -0.04 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 58.88 1q82 s VAL 114 Cb -0.03 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.84 1q82 s VAL 114 CO 0.01 0.00 0.30 0.00 -3.33 0.00 0.00 175.10 172.08 1q82 s ALA 115 N 2.87 -0.76 0.03 1.54 0.00 -0.98 -4.70 121.76 119.75 1q82 s ALA 115 Ca -0.03 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.43 1q82 s ALA 115 Cb -0.12 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 1q82 s ALA 115 CO -0.19 -0.22 0.07 0.00 0.00 0.00 0.00 175.76 175.41 1q82 s ALA 116 N -0.86 3.53 -0.01 0.00 0.00 -1.26 -1.91 121.76 121.26 1q82 s ALA 116 Ca -0.09 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1q82 s ALA 116 Cb -0.04 -1.49 -0.00 0.00 0.00 0.00 0.00 23.12 21.58 1q82 s ALA 116 CO 0.03 0.71 -0.05 -1.01 0.00 0.00 0.00 175.76 175.44 1q82 s HIS 117 N -1.25 0.44 -0.70 0.00 3.76 -0.01 -4.95 115.29 112.59 1q82 s HIS 117 Ca 0.25 -0.08 -0.20 0.00 -0.15 0.00 0.00 55.06 54.87 1q82 s HIS 117 Cb -0.12 -0.29 0.10 0.00 1.11 0.00 0.00 32.58 33.37 1q82 s HIS 117 CO 0.16 -0.01 0.91 0.21 -0.85 0.00 0.00 174.74 175.16 1q82 s LYS 118 N -0.07 3.20 0.09 1.40 2.20 -1.26 -1.53 119.74 123.77 1q82 s LYS 118 Ca 0.01 -1.21 0.27 0.00 -0.36 0.00 0.00 55.97 54.68 1q82 s LYS 118 Cb -0.02 -4.38 1.03 0.00 -1.51 0.00 0.00 37.83 32.94 1q82 s LYS 118 CO -0.00 -1.71 1.83 0.28 -0.36 0.00 0.00 175.35 175.39 1q82 n VAL 119 N 5.67 0.33 -0.38 4.02 0.31 -0.18 -5.00 118.33 123.10 1q82 n VAL 119 Ca 0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1q82 n VAL 119 Cb 0.45 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 1q82 n VAL 119 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1q82 n GLY 120 N 1.25 -2.63 2.99 2.92 0.00 -1.18 -4.97 105.19 103.57 1q82 n GLY 120 Ca 0.06 -1.29 -0.20 0.00 0.00 0.00 0.00 46.02 44.59 1q82 n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q82 s GLU 121 N -1.98 0.95 -0.40 1.61 2.02 -1.26 -0.11 118.70 119.53 1q82 s GLU 121 Ca 0.00 -0.29 -0.27 0.00 0.02 0.00 0.00 54.97 54.43 1q82 s GLU 121 Cb 0.00 -0.89 0.02 0.00 0.10 0.00 0.00 34.13 33.36 1q82 s GLU 121 CO 0.00 0.10 0.98 -1.14 0.02 0.00 0.00 175.26 175.22 1q82 s GLN 122 N 0.23 3.78 0.32 1.61 0.74 0.18 -4.87 119.66 121.66 1q82 s GLN 122 Ca -0.04 0.54 -0.27 0.00 0.05 0.00 0.00 55.36 55.64 1q82 s GLN 122 Cb -0.09 -3.84 -0.09 0.00 1.10 0.00 0.00 33.01 30.09 1q82 s GLN 122 CO 0.00 -1.07 1.06 -0.65 -0.55 0.00 0.00 175.29 174.08 1q82 s GLN 123 N 3.72 4.48 0.05 1.67 -0.21 -1.26 -1.24 119.66 126.86 1q82 s GLN 123 Ca 0.40 1.64 -0.01 0.00 0.02 0.00 0.00 55.36 57.41 1q82 s GLN 123 Cb -0.11 -2.93 -0.04 0.00 1.00 0.00 0.00 33.01 30.93 1q82 s GLN 123 CO 0.22 0.11 -0.03 0.20 -2.12 0.00 0.00 175.29 173.67 1q82 s GLY 124 N -1.21 0.49 -0.07 3.09 0.00 -0.89 -4.93 107.32 103.80 1q82 s GLY 124 Ca 0.49 -1.21 0.01 0.00 0.00 0.00 0.00 44.72 44.02 1q82 s GLY 124 CO 0.34 -1.32 -0.09 -1.60 0.00 0.00 0.00 173.10 170.43 1q82 s ARG 125 N -3.89 1.44 -0.21 2.90 6.06 -1.26 -0.37 118.95 123.62 1q82 s ARG 125 Ca 0.07 -0.30 -0.04 0.00 -2.50 0.00 0.00 55.73 52.96 1q82 s ARG 125 Cb 0.08 -1.29 -0.01 0.00 0.06 0.00 0.00 34.95 33.79 1q82 s ARG 125 CO -0.10 -0.05 -0.04 0.21 -2.50 0.00 0.00 175.30 172.83 1q82 s LYS 126 N 0.92 3.46 0.27 5.12 2.47 0.45 -4.85 119.74 127.58 1q82 s LYS 126 Ca -0.10 -0.59 -0.30 0.00 -1.56 0.00 0.00 55.97 53.42 1q82 s LYS 126 Cb -0.15 -3.00 -0.10 0.00 -1.46 0.00 0.00 37.83 33.12 1q82 s LYS 126 CO 0.01 -0.09 1.38 -2.14 0.16 0.00 0.00 175.35 174.67 1q82 s PRO 127 N 1.22 4.31 0.46 4.03 0.02 -1.26 -1.38 135.00 142.39 1q82 s PRO 127 Ca 0.03 2.25 0.03 0.00 0.02 0.00 0.00 61.00 63.32 1q82 s PRO 127 Cb -0.14 -3.10 -0.03 0.00 0.02 0.00 0.00 34.50 31.25 1q82 s PRO 127 CO -0.01 -0.33 0.04 1.03 -0.33 0.00 0.00 177.00 177.41 1q82 s ARG 128 N -0.84 2.07 0.64 5.54 1.81 0.17 -4.92 118.95 123.42 1q82 s ARG 128 Ca 0.55 -2.29 -0.14 0.00 -1.72 0.00 0.00 55.73 52.14 1q82 s ARG 128 Cb -0.41 -1.24 -0.02 0.00 -0.45 0.00 0.00 34.95 32.84 1q82 s ARG 128 CO 0.46 -0.36 1.06 0.00 -0.68 0.00 0.00 175.30 175.78 1q82 s ALA 129 N -2.98 2.70 -0.27 2.13 0.00 -1.26 -3.83 121.76 118.25 1q82 s ALA 129 Ca 0.15 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1q82 s ALA 129 Cb 0.03 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1q82 s ALA 129 CO 0.08 -1.01 0.00 -1.33 0.00 0.00 0.00 175.76 173.51 1q82 n MET 130 N -2.51 -0.18 -1.04 0.00 2.81 -1.26 -3.64 117.12 111.30 1q82 n MET 130 Ca 0.08 0.54 -0.01 0.00 -1.81 0.00 0.00 57.70 56.50 1q82 n MET 130 Cb 0.53 -4.16 -0.01 0.00 -0.71 0.00 0.00 33.22 28.88 1q82 n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1q82 n GLY 131 N -2.51 0.51 3.55 3.03 0.00 -1.25 -5.04 105.19 103.48 1q82 n GLY 131 Ca -0.03 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 1q82 n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1q82 s ARG 132 N -1.23 1.99 0.22 1.61 3.52 -1.24 -5.00 118.95 118.83 1q82 s ARG 132 Ca 0.00 -1.31 0.10 0.00 -0.13 0.00 0.00 55.73 54.39 1q82 s ARG 132 Cb 0.00 -2.12 -0.05 0.00 -1.56 0.00 0.00 34.95 31.23 1q82 s ARG 132 CO 0.00 0.43 -0.19 0.00 -0.81 0.00 0.00 175.30 174.73 1q82 s ALA 133 N -1.72 2.35 0.06 6.12 0.00 -1.26 0.43 121.76 127.75 1q82 s ALA 133 Ca 0.24 -1.70 -0.05 0.00 0.00 0.00 0.00 51.96 50.45 1q82 s ALA 133 Cb -0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1q82 s ALA 133 CO 0.15 0.23 0.09 -1.54 0.00 0.00 0.00 175.76 174.69 1q82 s SER 134 N -3.15 0.27 0.77 0.00 1.04 -0.48 -4.91 113.70 107.24 1q82 s SER 134 Ca 0.23 -0.76 -0.15 0.00 0.48 0.00 0.00 55.95 55.75 1q82 s SER 134 Cb -0.04 0.27 -0.02 0.00 0.10 0.00 0.00 66.02 66.33 1q82 s SER 134 CO 0.10 -0.64 0.56 0.00 0.98 0.00 0.00 173.24 174.24 1q82 n ALA 135 N 0.15 -1.60 -2.80 5.32 0.00 -1.26 -0.41 120.51 119.91 1q82 n ALA 135 Ca -0.15 -0.32 -0.06 0.00 0.00 0.00 0.00 53.44 52.91 1q82 n ALA 135 Cb 0.61 -1.87 0.01 0.00 0.00 0.00 0.00 19.45 18.19 1q82 n ALA 135 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1q82 n TRP 136 N -2.67 -3.63 -3.84 0.00 -0.00 0.50 -4.44 117.44 103.37 1q82 n TRP 136 Ca 0.10 -1.51 -0.21 0.00 -0.00 0.00 0.00 57.50 55.87 1q82 n TRP 136 Cb 0.51 1.41 -0.04 0.00 -0.00 0.00 0.00 31.31 33.19 1q82 n TRP 136 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1q82 s ASN 137 N 0.67 5.27 -0.06 5.87 0.01 -1.26 -2.10 114.94 123.33 1q82 s ASN 137 Ca 0.30 -0.50 0.05 0.00 -0.71 0.00 0.00 52.86 52.01 1q82 s ASN 137 Cb 0.02 -0.98 -0.01 0.00 0.41 0.00 0.00 41.25 40.69 1q82 s ASN 137 CO -0.07 -0.34 -0.23 -0.44 -1.51 0.00 0.00 177.10 174.51 1q82 s SER 138 N -3.98 2.83 0.66 -1.22 0.01 -0.37 -4.94 113.70 106.69 1q82 s SER 138 Ca 0.40 -0.48 -0.13 0.00 1.31 0.00 0.00 55.95 57.05 1q82 s SER 138 Cb -0.06 -0.89 -0.00 0.00 0.21 0.00 0.00 66.02 65.28 1q82 s SER 138 CO 0.26 0.20 1.07 -2.84 0.41 0.00 0.00 173.24 172.34 1q82 s PRO 139 N 0.00 2.98 -0.13 12.44 0.02 -1.26 0.50 135.00 149.55 1q82 s PRO 139 Ca -0.07 1.14 -0.01 0.00 0.02 0.00 0.00 61.00 62.08 1q82 s PRO 139 Cb -0.14 -1.99 0.03 0.00 0.02 0.00 0.00 34.50 32.42 1q82 s PRO 139 CO 0.04 -1.08 -0.04 -0.65 -0.33 0.00 0.00 177.00 174.94 1q82 s GLN 140 N -4.52 1.22 0.03 5.54 -0.21 0.84 -3.61 119.66 118.94 1q82 s GLN 140 Ca 0.62 -0.28 0.04 0.00 0.02 0.00 0.00 55.36 55.75 1q82 s GLN 140 Cb -0.16 -1.65 -0.04 0.00 1.00 0.00 0.00 33.01 32.16 1q82 s GLN 140 CO 0.46 -0.37 -0.06 0.08 -2.12 0.00 0.00 175.29 173.29 1q82 s VAL 141 N 1.75 3.69 0.14 1.09 1.01 0.24 -1.01 120.40 127.31 1q82 s VAL 141 Ca 0.03 -0.87 0.11 0.00 0.00 0.00 0.00 61.98 61.25 1q82 s VAL 141 Cb -0.14 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1q82 s VAL 141 CO -0.07 0.31 -0.26 -1.81 0.00 0.00 0.00 175.10 173.27 1q82 s ASP 142 N -1.66 3.36 -0.21 3.32 1.11 -0.58 0.89 116.67 122.89 1q82 s ASP 142 Ca 0.19 -0.76 -0.10 0.00 0.18 0.00 0.00 52.55 52.05 1q82 s ASP 142 Cb -0.11 -0.24 0.08 0.00 1.07 0.00 0.00 42.92 43.72 1q82 s ASP 142 CO 0.10 0.17 0.50 0.54 1.18 0.00 0.00 175.17 177.66 1q82 s VAL 143 N -1.16 -0.21 0.08 -1.27 0.11 -0.75 -0.83 120.40 116.37 1q82 s VAL 143 Ca 0.15 0.08 -0.03 0.00 -2.93 0.00 0.00 61.98 59.25 1q82 s VAL 143 Cb -0.10 -0.74 -0.05 0.00 -1.53 0.00 0.00 36.38 33.96 1q82 s VAL 143 CO 0.07 0.03 0.29 -1.83 -3.33 0.00 0.00 175.10 170.33 1q82 s GLU 144 N 1.81 3.54 -0.07 1.54 -1.05 -0.80 -1.31 118.70 122.36 1q82 s GLU 144 Ca -0.08 -0.22 -0.04 0.00 -0.15 0.00 0.00 54.97 54.48 1q82 s GLU 144 Cb -0.09 -2.97 0.03 0.00 -0.44 0.00 0.00 34.13 30.67 1q82 s GLU 144 CO -0.15 0.56 0.16 -1.17 0.95 0.00 0.00 175.26 175.61 1q82 s LEU 145 N -2.41 0.82 -0.20 1.83 2.96 0.04 -2.33 118.68 119.38 1q82 s LEU 145 Ca 0.36 0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.60 1q82 s LEU 145 Cb -0.13 0.45 0.05 0.00 0.50 0.00 0.00 46.19 47.06 1q82 s LEU 145 CO 0.24 -0.13 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.45 1q82 s ILE 146 N 0.96 1.35 0.03 6.68 1.01 0.27 -1.44 121.20 130.06 1q82 s ILE 146 Ca -0.07 -0.92 -0.16 0.00 0.00 0.00 0.00 60.65 59.50 1q82 s ILE 146 Cb -0.09 -1.55 -0.06 0.00 0.01 0.00 0.00 42.46 40.77 1q82 s ILE 146 CO -0.05 0.04 0.46 -0.76 0.00 0.00 0.00 174.94 174.63 1q82 s LEU 147 N 1.51 4.48 0.01 2.97 1.43 0.30 -1.02 118.68 128.35 1q82 s LEU 147 Ca -0.02 1.05 0.02 0.00 -1.03 0.00 0.00 54.13 54.15 1q82 s LEU 147 Cb -0.17 -2.73 -0.01 0.00 0.03 0.00 0.00 46.19 43.31 1q82 s LEU 147 CO -0.07 0.29 -0.07 -0.70 0.23 0.00 0.00 176.35 176.03 1q82 s GLU 148 N -1.18 0.55 0.36 1.70 2.12 -0.13 -0.68 118.70 121.44 1q82 s GLU 148 Ca 0.26 -0.39 -0.28 0.00 0.36 0.00 0.00 54.97 54.92 1q82 s GLU 148 Cb -0.17 -0.49 -0.10 0.00 0.26 0.00 0.00 34.13 33.62 1q82 s GLU 148 CO 0.16 0.13 1.38 -1.21 -0.54 0.00 0.00 175.26 175.17 1q82 s GLU 149 N -0.55 4.21 0.00 4.30 2.02 -1.10 -1.14 118.70 126.44 1q82 s GLU 149 Ca -0.00 2.36 0.00 0.00 0.02 0.00 0.00 54.97 57.35 1q82 s GLU 149 Cb -0.05 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.19 1q82 s GLU 149 CO 0.00 -0.37 0.41 -2.30 0.02 0.00 0.00 175.26 173.02