#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q82 n LYS 2 N 0.00 0.45 -2.28 4.33 2.85 -1.26 -4.77 118.16 117.48 1q82 n LYS 2 Ca 0.00 -0.02 -0.43 0.00 -1.05 0.00 0.00 58.31 56.81 1q82 n LYS 2 Cb 0.00 -1.63 -0.02 0.00 -0.65 0.00 0.00 35.03 32.73 1q82 n LYS 2 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1q82 s GLN 3 N -3.31 4.08 0.26 -1.58 -0.21 -1.26 -4.94 119.66 112.70 1q82 s GLN 3 Ca -0.00 1.70 -0.09 0.00 0.02 0.00 0.00 55.36 57.00 1q82 s GLN 3 Cb 0.13 -3.88 0.42 0.00 1.00 0.00 0.00 33.01 30.68 1q82 s GLN 3 CO 0.83 -0.92 1.58 -1.35 -2.12 0.00 0.00 175.29 173.31 1q82 h PRO 4 N 9.16 0.01 -0.26 2.91 0.11 -1.99 -1.10 132.00 140.83 1q82 h PRO 4 Ca -0.30 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.86 1q82 h PRO 4 Cb 1.13 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 1q82 h PRO 4 CO 0.98 0.00 -0.09 -0.44 -0.21 0.00 0.00 178.00 178.24 1q82 h ASP 5 N 0.01 -0.33 -0.68 -2.05 5.19 -2.00 -0.80 116.42 115.77 1q82 h ASP 5 Ca 0.44 0.09 -0.07 0.00 -0.62 0.00 0.00 57.03 56.87 1q82 h ASP 5 Cb 0.70 0.19 -0.03 0.00 0.18 0.00 0.00 39.33 40.37 1q82 h ASP 5 CO -0.90 -0.12 0.16 0.11 -3.12 0.00 0.00 179.24 175.38 1q82 h LYS 6 N -0.04 1.09 0.53 3.56 1.57 -1.65 -0.97 116.57 120.66 1q82 h LYS 6 Ca 0.13 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1q82 h LYS 6 Cb 0.24 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1q82 h LYS 6 CO -0.29 0.97 -0.36 1.96 -0.57 0.00 0.00 179.45 181.15 1q82 h GLN 7 N 1.04 -0.83 -0.68 3.15 1.08 -0.68 -1.85 115.11 116.35 1q82 h GLN 7 Ca 0.22 0.06 0.06 0.00 -1.45 0.00 0.00 58.65 57.53 1q82 h GLN 7 Cb 0.37 0.19 -0.05 0.00 -0.05 0.00 0.00 27.48 27.93 1q82 h GLN 7 CO 0.00 -0.55 0.38 0.00 -0.95 0.00 0.00 178.83 177.72 1q82 h ARG 8 N -0.86 0.69 0.00 1.46 3.08 -1.07 -2.78 114.38 114.91 1q82 h ARG 8 Ca -0.06 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 59.97 1q82 h ARG 8 Cb 0.71 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 1q82 h ARG 8 CO 0.04 0.46 -0.14 -0.22 -1.07 0.00 0.00 179.97 179.04 1q82 h LYS 9 N 0.71 -0.23 0.00 0.04 3.64 -0.97 -2.00 116.57 117.76 1q82 h LYS 9 Ca 0.30 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 1q82 h LYS 9 Cb 0.17 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1q82 h LYS 9 CO -0.17 -0.15 -0.05 0.66 -2.27 0.00 0.00 179.45 177.47 1q82 h SER 10 N -0.24 0.00 0.40 4.20 4.64 -1.15 0.20 113.55 121.60 1q82 h SER 10 Ca 0.05 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.13 1q82 h SER 10 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1q82 h SER 10 CO -0.14 0.05 -1.03 1.56 -0.87 0.00 0.00 176.83 176.40 1q82 h GLN 11 N 0.00 0.38 0.00 4.77 4.20 -1.17 -2.68 115.11 120.61 1q82 h GLN 11 Ca -0.00 -0.46 -0.11 0.00 0.06 0.00 0.00 58.65 58.13 1q82 h GLN 11 Cb 0.12 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1q82 h GLN 11 CO 0.01 1.14 -0.68 0.00 -0.67 0.00 0.00 178.83 178.63 1q82 h ARG 12 N 0.19 0.00 -0.36 1.46 3.08 -0.63 -3.33 114.38 114.80 1q82 h ARG 12 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1q82 h ARG 12 Cb 1.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.74 1q82 h ARG 12 CO 0.18 0.45 0.00 0.54 -1.07 0.00 0.00 179.97 180.06 1q82 n ARG 13 N -3.15 2.52 -1.76 0.04 1.74 -0.02 -5.00 116.66 111.02 1q82 n ARG 13 Ca -0.00 -2.04 -0.42 0.00 -0.77 0.00 0.00 57.85 54.62 1q82 n ARG 13 Cb 0.75 -1.32 -0.02 0.00 -1.02 0.00 0.00 32.46 30.84 1q82 n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q82 s ALA 14 N -1.03 3.83 1.03 7.54 0.00 -1.01 -4.94 121.76 127.18 1q82 s ALA 14 Ca 0.27 1.57 -0.14 0.00 0.00 0.00 0.00 51.96 53.66 1q82 s ALA 14 Cb 0.14 -3.67 0.10 0.00 0.00 0.00 0.00 23.12 19.70 1q82 s ALA 14 CO 0.19 -0.95 0.44 -2.30 0.00 0.00 0.00 175.76 173.14 1q82 n PRO 15 N 2.97 -0.99 -0.13 0.00 -0.02 -1.26 -4.70 135.00 130.87 1q82 n PRO 15 Ca 0.11 -0.25 -0.05 0.00 -2.02 0.00 0.00 63.50 61.29 1q82 n PRO 15 Cb 0.37 -1.91 0.02 0.00 -0.02 0.00 0.00 33.50 31.96 1q82 n PRO 15 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1q82 h LEU 16 N -1.90 -0.53 -1.11 2.45 3.38 -1.97 -0.95 115.31 114.67 1q82 h LEU 16 Ca -0.49 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1q82 h LEU 16 Cb 1.31 0.32 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1q82 h LEU 16 CO 0.38 -0.19 0.00 1.12 0.09 0.00 0.00 178.44 179.84 1q82 h HIS 17 N -0.06 0.00 -0.11 1.13 2.07 -2.01 -1.00 115.15 115.17 1q82 h HIS 17 Ca 0.21 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.73 1q82 h HIS 17 Cb 0.38 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.36 1q82 h HIS 17 CO -0.41 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 174.84 1q82 n GLU 18 N -2.36 1.84 0.02 5.12 1.02 -0.37 -3.81 120.64 122.10 1q82 n GLU 18 Ca 0.01 -1.25 0.11 0.00 -0.02 0.00 0.00 57.16 56.01 1q82 n GLU 18 Cb 0.17 -1.45 0.01 0.00 -0.02 0.00 0.00 31.44 30.15 1q82 n GLU 18 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1q82 n ARG 19 N 0.49 0.21 -0.31 3.49 1.74 -0.38 -4.06 116.66 117.84 1q82 n ARG 19 Ca 0.17 -0.01 0.10 0.00 -0.77 0.00 0.00 57.85 57.34 1q82 n ARG 19 Cb 0.40 -1.56 0.31 0.00 -1.02 0.00 0.00 32.46 30.59 1q82 n ARG 19 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1q82 h HIS 20 N 0.00 0.97 0.00 -1.55 3.86 -1.67 0.51 115.15 117.27 1q82 h HIS 20 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1q82 h HIS 20 Cb 0.67 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1q82 h HIS 20 CO 0.00 0.37 0.00 0.36 0.86 0.00 0.00 177.93 179.52 1q82 n LYS 21 N -4.59 0.06 0.01 2.45 2.85 -1.26 -1.84 118.16 115.85 1q82 n LYS 21 Ca 0.18 0.25 0.12 0.00 -1.05 0.00 0.00 58.31 57.81 1q82 n LYS 21 Cb 0.41 -1.50 0.18 0.00 -0.65 0.00 0.00 35.03 33.47 1q82 n LYS 21 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1q82 n GLN 22 N -1.43 0.06 -1.43 -1.58 6.02 0.18 -3.93 117.38 115.27 1q82 n GLN 22 Ca 0.04 0.01 -0.20 0.00 -0.01 0.00 0.00 57.00 56.84 1q82 n GLN 22 Cb 0.13 -1.53 0.10 0.00 1.02 0.00 0.00 30.24 29.95 1q82 n GLN 22 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1q82 n VAL 23 N -1.62 2.83 -3.50 5.09 0.24 -0.76 -4.76 118.33 115.84 1q82 n VAL 23 Ca 0.05 -3.38 -0.29 0.00 -2.04 0.00 0.00 64.34 58.68 1q82 n VAL 23 Cb 0.36 -0.86 -0.04 0.00 -1.47 0.00 0.00 33.84 31.83 1q82 n VAL 23 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1q82 s ARG 24 N -3.54 3.62 0.01 7.34 0.52 -1.25 -1.78 118.95 123.87 1q82 s ARG 24 Ca 0.52 -0.06 -0.05 0.00 -0.52 0.00 0.00 55.73 55.62 1q82 s ARG 24 Cb 0.44 -2.73 -0.00 0.00 0.52 0.00 0.00 34.95 33.17 1q82 s ARG 24 CO 0.01 0.32 0.09 0.00 0.02 0.00 0.00 175.30 175.75 1q82 s ALA 25 N -1.91 -0.21 0.75 2.13 0.00 -0.29 -4.07 121.76 118.16 1q82 s ALA 25 Ca 0.42 -0.24 -0.15 0.00 0.00 0.00 0.00 51.96 51.99 1q82 s ALA 25 Cb -0.11 0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.17 1q82 s ALA 25 CO 0.28 -0.19 1.24 -0.08 0.00 0.00 0.00 175.76 177.00 1q82 s THR 26 N -1.36 2.05 -0.00 0.00 -1.32 -1.24 -1.53 115.64 112.25 1q82 s THR 26 Ca -0.15 0.03 -0.01 0.00 -1.21 0.00 0.00 61.69 60.35 1q82 s THR 26 Cb -0.08 -2.64 -0.04 0.00 -1.51 0.00 0.00 72.50 68.23 1q82 s THR 26 CO 0.01 -0.01 0.10 -0.76 -2.21 0.00 0.00 174.62 171.75 1q82 s LEU 27 N -5.22 3.99 0.99 9.08 1.43 1.00 -1.80 118.68 128.14 1q82 s LEU 27 Ca 0.77 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.92 1q82 s LEU 27 Cb -0.32 -2.35 0.12 0.00 0.03 0.00 0.00 46.19 43.67 1q82 s LEU 27 CO 0.46 0.27 0.72 -1.54 0.23 0.00 0.00 176.35 176.49 1q82 n SER 28 N 1.10 -1.15 -0.15 2.29 3.41 -0.87 -4.58 113.62 113.68 1q82 n SER 28 Ca -0.12 0.25 -0.03 0.00 -0.26 0.00 0.00 58.87 58.71 1q82 n SER 28 Cb 0.53 -1.29 0.06 0.00 -0.26 0.00 0.00 64.21 63.24 1q82 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q82 h ALA 29 N -1.89 0.55 0.13 7.33 0.00 -1.98 -1.13 119.26 122.27 1q82 h ALA 29 Ca -0.47 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.54 1q82 h ALA 29 Cb 1.29 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1q82 h ALA 29 CO 0.39 -0.28 -0.25 -0.44 0.00 0.00 0.00 179.25 178.68 1q82 h ASP 30 N 0.27 -0.69 -0.63 0.00 3.32 -1.99 -2.18 116.42 114.53 1q82 h ASP 30 Ca 0.23 0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.40 1q82 h ASP 30 Cb 0.28 0.26 -0.05 0.00 0.22 0.00 0.00 39.33 40.05 1q82 h ASP 30 CO -0.28 -0.34 0.36 -0.07 -1.72 0.00 0.00 179.24 177.19 1q82 h LEU 31 N -0.46 0.56 -0.98 1.55 3.38 -1.82 -0.16 115.31 117.38 1q82 h LEU 31 Ca 0.02 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1q82 h LEU 31 Cb 0.48 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 1q82 h LEU 31 CO -0.13 0.38 0.63 0.03 0.09 0.00 0.00 178.44 179.45 1q82 h ARG 32 N 0.69 1.13 -0.35 1.13 3.08 -0.98 0.56 114.38 119.64 1q82 h ARG 32 Ca 0.27 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 1q82 h ARG 32 Cb 0.10 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1q82 h ARG 32 CO -0.14 0.75 0.02 1.49 -1.07 0.00 0.00 179.97 181.01 1q82 h GLU 33 N 1.16 0.61 -0.61 0.04 4.57 -0.71 0.30 114.58 119.95 1q82 h GLU 33 Ca 0.42 -0.18 -0.07 0.00 -1.18 0.00 0.00 59.36 58.34 1q82 h GLU 33 Cb 0.14 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1q82 h GLU 33 CO -0.17 0.71 0.09 1.49 -1.18 0.00 0.00 179.01 179.95 1q82 h GLU 34 N 0.43 1.01 -0.01 1.92 4.81 0.06 -3.31 114.58 119.48 1q82 h GLU 34 Ca 0.10 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1q82 h GLU 34 Cb 0.42 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1q82 h GLU 34 CO 0.01 0.95 -0.01 0.66 -0.73 0.00 0.00 179.01 179.90 1q82 n TYR 35 N -4.28 0.00 -3.57 0.92 4.02 0.08 -5.02 117.16 109.31 1q82 n TYR 35 Ca 0.03 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.71 1q82 n TYR 35 Cb 0.29 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.68 1q82 n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1q82 n GLY 36 N 0.57 -0.43 3.07 2.72 0.00 0.11 -4.82 105.19 106.40 1q82 n GLY 36 Ca 0.06 0.17 -0.08 0.00 0.00 0.00 0.00 46.02 46.16 1q82 n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q82 s GLN 37 N -5.89 0.55 -0.12 1.61 -0.21 -1.21 -5.06 119.66 109.33 1q82 s GLN 37 Ca 0.26 -1.06 0.13 0.00 0.02 0.00 0.00 55.36 54.71 1q82 s GLN 37 Cb -0.12 0.13 -0.24 0.00 1.00 0.00 0.00 33.01 33.79 1q82 s GLN 37 CO 0.75 -0.08 0.37 -2.13 -2.12 0.00 0.00 175.29 172.07 1q82 n ARG 38 N 0.53 0.66 -4.03 2.91 0.63 -1.26 -4.30 116.66 111.80 1q82 n ARG 38 Ca -0.17 0.17 -0.17 0.00 -0.92 0.00 0.00 57.85 56.76 1q82 n ARG 38 Cb 0.59 -1.67 -0.06 0.00 0.45 0.00 0.00 32.46 31.78 1q82 n ARG 38 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1q82 n ASN 39 N -2.97 -0.94 -3.66 6.15 6.94 -1.26 -0.00 115.26 119.51 1q82 n ASN 39 Ca -0.26 -2.98 -0.10 0.00 -0.02 0.00 0.00 54.58 51.22 1q82 n ASN 39 Cb 1.09 1.96 -0.04 0.00 -2.36 0.00 0.00 39.78 40.43 1q82 n ASN 39 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1q82 s VAL 40 N -3.09 0.05 -0.51 3.53 0.11 -0.58 -4.80 120.40 115.10 1q82 s VAL 40 Ca 0.34 -0.62 -0.28 0.00 -2.93 0.00 0.00 61.98 58.49 1q82 s VAL 40 Cb 0.01 -1.32 0.03 0.00 -1.53 0.00 0.00 36.38 33.57 1q82 s VAL 40 CO 0.24 -0.21 1.13 -0.60 -3.33 0.00 0.00 175.10 172.33 1q82 s ARG 41 N -3.83 3.64 0.12 1.54 3.52 -1.15 -1.13 118.95 121.65 1q82 s ARG 41 Ca 0.05 0.42 -0.35 0.00 -0.13 0.00 0.00 55.73 55.72 1q82 s ARG 41 Cb 0.01 -3.95 -0.15 0.00 -1.56 0.00 0.00 34.95 29.30 1q82 s ARG 41 CO -0.08 -1.46 1.46 0.28 -0.81 0.00 0.00 175.30 174.68 1q82 n VAL 42 N 6.76 0.01 -4.28 7.11 0.31 -0.73 -4.97 118.33 122.54 1q82 n VAL 42 Ca 0.10 -0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.18 1q82 n VAL 42 Cb 0.49 -1.17 -0.08 0.00 -0.91 0.00 0.00 33.84 32.16 1q82 n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1q82 s ASN 43 N 0.76 4.48 0.00 4.52 0.01 -1.26 -4.98 114.94 118.47 1q82 s ASN 43 Ca 0.82 -0.57 0.00 0.00 -0.71 0.00 0.00 52.86 52.40 1q82 s ASN 43 Cb -0.82 -0.83 0.02 0.00 0.41 0.00 0.00 41.25 40.03 1q82 s ASN 43 CO 0.43 0.06 0.25 0.00 -1.51 0.00 0.00 177.10 176.33 1q82 n ALA 44 N -0.41 1.72 -0.02 0.60 0.00 -1.26 -1.92 120.51 119.22 1q82 n ALA 44 Ca -0.09 -0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.36 1q82 n ALA 44 Cb 0.57 -1.01 -0.07 0.00 0.00 0.00 0.00 19.45 18.95 1q82 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q82 n GLY 45 N -0.30 -0.40 3.69 0.00 0.00 -1.26 -4.51 105.19 102.42 1q82 n GLY 45 Ca 0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1q82 n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q82 s ASP 46 N -3.45 3.26 0.05 1.61 1.01 -0.81 -4.34 116.67 114.00 1q82 s ASP 46 Ca -0.04 1.79 0.03 0.00 0.71 0.00 0.00 52.55 55.04 1q82 s ASP 46 Cb 0.04 -2.40 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 1q82 s ASP 46 CO 0.35 -2.82 0.03 -0.89 0.21 0.00 0.00 175.17 172.05 1q82 s THR 47 N -2.78 4.28 0.02 -1.27 2.01 -0.17 -0.83 115.64 116.89 1q82 s THR 47 Ca 0.64 -0.76 -0.12 0.00 0.31 0.00 0.00 61.69 61.76 1q82 s THR 47 Cb -0.20 -3.00 0.01 0.00 0.01 0.00 0.00 72.50 69.32 1q82 s THR 47 CO 0.58 0.21 0.26 0.54 -0.69 0.00 0.00 174.62 175.52 1q82 s VAL 48 N -1.26 0.08 -0.12 3.82 0.11 0.53 -1.88 120.40 121.68 1q82 s VAL 48 Ca 0.25 -0.68 0.01 0.00 -2.93 0.00 0.00 61.98 58.63 1q82 s VAL 48 Cb -0.12 -0.79 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 1q82 s VAL 48 CO 0.17 -0.37 -0.17 -1.83 -3.33 0.00 0.00 175.10 169.57 1q82 s GLU 49 N -2.09 3.27 -0.31 1.54 -1.05 0.20 -1.65 118.70 118.61 1q82 s GLU 49 Ca -0.08 -0.75 -0.29 0.00 -0.15 0.00 0.00 54.97 53.69 1q82 s GLU 49 Cb -0.03 -2.52 -0.00 0.00 -0.44 0.00 0.00 34.13 31.14 1q82 s GLU 49 CO -0.01 0.20 1.37 0.08 0.95 0.00 0.00 175.26 177.86 1q82 s VAL 50 N 0.34 4.03 -0.99 1.83 1.01 0.26 -1.56 120.40 125.31 1q82 s VAL 50 Ca -0.14 1.15 0.21 0.00 0.00 0.00 0.00 61.98 63.20 1q82 s VAL 50 Cb -0.17 -4.09 -0.20 0.00 0.00 0.00 0.00 36.38 31.92 1q82 s VAL 50 CO 0.07 -0.49 0.96 0.18 0.00 0.00 0.00 175.10 175.81 1q82 n LEU 51 N 7.96 0.93 0.00 3.92 4.77 -0.48 0.22 117.00 134.33 1q82 n LEU 51 Ca 0.16 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 1q82 n LEU 51 Cb 0.47 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1q82 n LEU 51 CO 0.65 0.23 -0.14 0.54 -1.33 0.00 0.00 177.39 177.34 1q82 n ARG 52 N -1.51 0.05 0.00 3.23 5.12 -1.21 -4.83 116.66 117.51 1q82 n ARG 52 Ca 0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 1q82 n ARG 52 Cb 0.33 -0.64 0.00 0.00 -1.16 0.00 0.00 32.46 30.99 1q82 n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1q82 n GLY 53 N 2.02 -2.28 0.08 -0.13 0.00 -1.26 -4.64 105.19 98.99 1q82 n GLY 53 Ca 0.00 -1.25 0.12 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 0.49 -1.01 1.61 10.43 -1.26 -2.26 116.55 124.55 1q82 n ASP 54 Ca 0.00 0.58 0.11 0.00 2.57 0.00 0.00 54.79 58.05 1q82 n ASP 54 Cb 0.00 -0.70 0.16 0.00 1.84 0.00 0.00 41.12 42.42 1q82 n ASP 54 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1q82 n PHE 55 N -1.99 0.27 -1.49 1.24 3.01 -1.26 -5.00 117.46 112.24 1q82 n PHE 55 Ca 0.04 -0.15 -0.47 0.00 1.01 0.00 0.00 57.45 57.89 1q82 n PHE 55 Cb 0.31 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.75 1q82 n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1q82 n ALA 56 N 1.34 -1.67 0.00 4.37 0.00 -0.96 -0.98 120.51 122.60 1q82 n ALA 56 Ca 0.16 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1q82 n ALA 56 Cb 0.57 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1q82 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q82 n GLY 57 N 1.67 3.07 3.79 0.00 0.00 0.61 -4.95 105.19 109.37 1q82 n GLY 57 Ca 0.14 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 1q82 n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q82 s GLU 58 N 0.00 3.29 0.18 1.61 2.02 -0.15 -4.72 118.70 120.93 1q82 s GLU 58 Ca 0.00 1.38 0.09 0.00 0.02 0.00 0.00 54.97 56.47 1q82 s GLU 58 Cb 0.00 -2.02 -0.04 0.00 0.10 0.00 0.00 34.13 32.17 1q82 s GLU 58 CO 0.00 -0.86 -0.19 -1.21 0.02 0.00 0.00 175.26 173.02 1q82 s GLU 59 N -3.72 1.36 0.00 1.61 2.02 -1.26 -0.58 118.70 118.14 1q82 s GLU 59 Ca 0.67 -1.48 0.00 0.00 0.02 0.00 0.00 54.97 54.18 1q82 s GLU 59 Cb -0.19 -1.45 0.00 0.00 0.10 0.00 0.00 34.13 32.59 1q82 s GLU 59 CO 0.32 0.29 0.00 0.41 0.02 0.00 0.00 175.26 176.30 1q82 n GLY 60 N 0.14 0.31 3.77 -1.39 0.00 -0.66 -4.98 105.19 102.38 1q82 n GLY 60 Ca -0.12 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 1q82 n GLY 60 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1q82 s GLU 61 N -2.00 4.31 -0.31 1.61 2.12 -1.26 -0.35 118.70 122.82 1q82 s GLU 61 Ca 0.00 0.74 -0.28 0.00 0.36 0.00 0.00 54.97 55.78 1q82 s GLU 61 Cb 0.00 -3.33 -0.02 0.00 0.26 0.00 0.00 34.13 31.04 1q82 s GLU 61 CO 0.00 0.40 1.80 0.08 -0.54 0.00 0.00 175.26 177.00 1q82 s VAL 62 N -0.29 3.47 -0.07 3.70 1.01 -0.01 -1.29 120.40 126.91 1q82 s VAL 62 Ca 0.31 0.49 0.13 0.00 0.00 0.00 0.00 61.98 62.91 1q82 s VAL 62 Cb -0.18 -3.62 -0.07 0.00 0.00 0.00 0.00 36.38 32.51 1q82 s VAL 62 CO 0.17 -0.38 1.22 0.40 0.00 0.00 0.00 175.10 176.52 1q82 h ILE 63 N 6.74 0.99 -2.04 2.22 1.08 -0.25 -3.35 117.51 122.91 1q82 h ILE 63 Ca -0.34 -2.50 -0.05 0.00 -0.39 0.00 0.00 64.86 61.58 1q82 h ILE 63 Cb 1.17 2.44 -0.19 0.00 -3.07 0.00 0.00 36.82 37.18 1q82 h ILE 63 CO 1.02 0.57 0.21 0.21 -0.69 0.00 0.00 178.15 179.47 1q82 s ASN 64 N -6.35 -0.64 -0.13 1.72 2.47 -1.12 -4.95 114.94 105.94 1q82 s ASN 64 Ca 0.01 0.66 -0.02 0.00 0.42 0.00 0.00 52.86 53.94 1q82 s ASN 64 Cb 0.08 0.53 0.04 0.00 -1.45 0.00 0.00 41.25 40.46 1q82 s ASN 64 CO 0.78 -0.62 0.01 -0.69 -3.72 0.00 0.00 177.10 172.87 1q82 s VAL 65 N -1.33 0.51 -0.33 -5.21 1.01 -1.26 -1.20 120.40 112.58 1q82 s VAL 65 Ca -0.10 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 1q82 s VAL 65 Cb -0.00 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 1q82 s VAL 65 CO 0.08 0.05 0.20 -0.62 0.00 0.00 0.00 175.10 174.81 1q82 s ASP 66 N 1.89 5.78 0.20 3.32 -1.08 0.15 -4.96 116.67 121.97 1q82 s ASP 66 Ca 0.02 -0.55 -0.01 0.00 -0.52 0.00 0.00 52.55 51.49 1q82 s ASP 66 Cb -0.14 -2.06 0.12 0.00 -1.46 0.00 0.00 42.92 39.38 1q82 s ASP 66 CO -0.07 -0.24 1.49 -0.07 0.52 0.00 0.00 175.17 176.80 1q82 h LEU 67 N 8.42 0.49 0.41 -1.34 3.38 -1.95 0.11 115.31 124.84 1q82 h LEU 67 Ca -0.31 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.35 1q82 h LEU 67 Cb 1.14 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1q82 h LEU 67 CO 0.63 1.00 -0.20 -0.78 0.09 0.00 0.00 178.44 179.18 1q82 h ASP 68 N 0.32 -0.47 -0.05 -0.43 1.82 -1.96 -3.08 116.42 112.58 1q82 h ASP 68 Ca -0.01 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 1q82 h ASP 68 Cb 1.17 0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.30 1q82 h ASP 68 CO 0.11 -0.16 0.00 0.29 -1.61 0.00 0.00 179.24 177.87 1q82 n LYS 69 N -5.23 1.36 -3.99 0.28 5.02 -1.24 -4.95 118.16 109.41 1q82 n LYS 69 Ca -0.10 -0.53 -0.38 0.00 -2.02 0.00 0.00 58.31 55.27 1q82 n LYS 69 Cb 0.28 -1.41 0.01 0.00 -0.02 0.00 0.00 35.03 33.88 1q82 n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q82 n ALA 70 N -0.30 -2.44 -2.59 7.82 0.00 0.30 -4.96 120.51 118.34 1q82 n ALA 70 Ca 0.18 -0.43 -0.09 0.00 0.00 0.00 0.00 53.44 53.10 1q82 n ALA 70 Cb 0.22 -2.64 -0.09 0.00 0.00 0.00 0.00 19.45 16.94 1q82 n ALA 70 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1q82 s VAL 71 N -3.69 0.15 0.08 0.00 1.01 -0.62 -4.65 120.40 112.68 1q82 s VAL 71 Ca 0.36 -1.21 0.06 0.00 0.00 0.00 0.00 61.98 61.19 1q82 s VAL 71 Cb -0.17 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 1q82 s VAL 71 CO 0.94 -0.67 -0.15 0.27 0.00 0.00 0.00 175.10 175.49 1q82 s ILE 72 N -3.14 1.22 -0.23 2.22 -4.36 -0.74 -0.68 121.20 115.49 1q82 s ILE 72 Ca -0.00 -1.38 -0.08 0.00 -0.26 0.00 0.00 60.65 58.93 1q82 s ILE 72 Cb 0.02 -1.18 -0.04 0.00 1.25 0.00 0.00 42.46 42.51 1q82 s ILE 72 CO -0.07 -0.22 0.10 -1.00 0.24 0.00 0.00 174.94 173.99 1q82 s HIS 73 N -1.33 3.19 -0.08 1.37 3.76 -0.35 -1.72 115.29 120.13 1q82 s HIS 73 Ca 0.00 -0.08 0.01 0.00 -0.15 0.00 0.00 55.06 54.84 1q82 s HIS 73 Cb -0.10 -2.22 -0.02 0.00 1.11 0.00 0.00 32.58 31.35 1q82 s HIS 73 CO 0.03 -0.11 -0.11 0.08 -0.85 0.00 0.00 174.74 173.77 1q82 s VAL 74 N 1.19 3.28 0.22 -0.90 1.01 -1.26 0.43 120.40 124.37 1q82 s VAL 74 Ca 0.05 -0.62 -0.32 0.00 0.00 0.00 0.00 61.98 61.09 1q82 s VAL 74 Cb -0.14 -2.33 -0.13 0.00 0.00 0.00 0.00 36.38 33.78 1q82 s VAL 74 CO 0.04 0.57 1.57 1.21 0.00 0.00 0.00 175.10 178.50 1q82 n GLU 75 N 2.71 2.39 -0.65 2.72 2.13 -0.41 -1.35 120.64 128.17 1q82 n GLU 75 Ca -0.18 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.50 1q82 n GLU 75 Cb 0.53 -2.62 0.00 0.00 0.27 0.00 0.00 31.44 29.61 1q82 n GLU 75 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1q82 n ASP 76 N 2.96 0.00 -4.41 4.31 8.00 -1.26 -4.59 116.55 121.56 1q82 n ASP 76 Ca 0.14 0.00 -0.45 0.00 0.71 0.00 0.00 54.79 55.19 1q82 n ASP 76 Cb 0.33 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 1q82 n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1q82 s VAL 77 N -3.41 4.99 0.30 2.53 1.01 -0.46 -4.97 120.40 120.39 1q82 s VAL 77 Ca 0.00 -1.76 0.04 0.00 0.00 0.00 0.00 61.98 60.26 1q82 s VAL 77 Cb 0.00 -4.66 -0.03 0.00 0.00 0.00 0.00 36.38 31.69 1q82 s VAL 77 CO 0.00 -1.33 0.19 0.42 0.00 0.00 0.00 175.10 174.39 1q82 s THR 78 N 1.96 0.18 -0.01 3.92 -4.23 -1.26 -1.84 115.64 114.36 1q82 s THR 78 Ca 0.26 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.83 1q82 s THR 78 Cb -0.09 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.24 1q82 s THR 78 CO -0.07 0.00 -0.20 -0.76 -0.54 0.00 0.00 174.62 173.05 1q82 s LEU 79 N -3.35 2.06 -0.37 4.79 1.43 0.45 -4.74 118.68 118.94 1q82 s LEU 79 Ca 0.37 -0.38 -0.27 0.00 -1.03 0.00 0.00 54.13 52.82 1q82 s LEU 79 Cb 0.04 -1.00 0.02 0.00 0.03 0.00 0.00 46.19 45.28 1q82 s LEU 79 CO 0.20 0.23 0.97 -0.70 0.23 0.00 0.00 176.35 177.27 1q82 s GLU 80 N -0.58 3.86 0.90 1.70 2.56 -1.26 -1.46 118.70 124.41 1q82 s GLU 80 Ca 0.07 0.65 -0.14 0.00 0.00 0.00 0.00 54.97 55.56 1q82 s GLU 80 Cb -0.08 -3.80 0.14 0.00 2.00 0.00 0.00 34.13 32.39 1q82 s GLU 80 CO -0.00 -0.98 1.22 0.15 -0.56 0.00 0.00 175.26 175.09 1q82 s LYS 81 N 3.59 1.23 0.12 4.30 1.02 -0.13 -4.96 119.74 124.93 1q82 s LYS 81 Ca 0.40 -0.06 -0.15 0.00 0.02 0.00 0.00 55.97 56.18 1q82 s LYS 81 Cb -0.12 -1.88 -0.02 0.00 -0.52 0.00 0.00 37.83 35.29 1q82 s LYS 81 CO 0.19 -2.07 1.58 1.15 -0.92 0.00 0.00 175.35 175.28 1q82 h THR 82 N -1.40 1.26 0.00 2.17 2.02 -1.97 -2.65 112.91 112.34 1q82 h THR 82 Ca -0.46 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 65.75 1q82 h THR 82 Cb 1.29 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1q82 h THR 82 CO 0.54 0.33 0.00 -0.90 0.37 0.00 0.00 175.52 175.86 1q82 n ASP 83 N -4.47 0.00 0.00 4.18 5.68 -1.26 -4.83 116.55 115.85 1q82 n ASP 83 Ca -0.01 0.42 0.00 0.00 -0.50 0.00 0.00 54.79 54.71 1q82 n ASP 83 Cb 0.27 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 1q82 n ASP 83 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1q82 n GLY 84 N -0.26 2.26 3.72 6.12 0.00 -1.00 -5.08 105.19 110.95 1q82 n GLY 84 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1q82 n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1q82 s GLU 85 N -0.55 1.99 -0.19 1.61 2.12 -1.26 -4.67 118.70 117.75 1q82 s GLU 85 Ca 0.00 1.65 -0.01 0.00 0.36 0.00 0.00 54.97 56.97 1q82 s GLU 85 Cb 0.00 -1.83 0.00 0.00 0.26 0.00 0.00 34.13 32.57 1q82 s GLU 85 CO 0.00 -1.93 -0.12 -2.00 -0.54 0.00 0.00 175.26 170.67 1q82 s GLU 86 N -4.14 3.20 0.11 4.30 2.12 -1.26 -0.95 118.70 122.08 1q82 s GLU 86 Ca 0.71 -0.73 0.10 0.00 0.36 0.00 0.00 54.97 55.41 1q82 s GLU 86 Cb -0.26 -2.77 -0.04 0.00 0.26 0.00 0.00 34.13 31.32 1q82 s GLU 86 CO 0.48 -0.16 -0.25 0.14 -0.54 0.00 0.00 175.26 174.94 1q82 s VAL 87 N 1.27 2.04 0.38 3.70 -7.23 -0.53 -4.93 120.40 115.09 1q82 s VAL 87 Ca 0.03 -1.63 -0.27 0.00 -1.81 0.00 0.00 61.98 58.30 1q82 s VAL 87 Cb -0.14 -1.81 -0.09 0.00 0.56 0.00 0.00 36.38 34.90 1q82 s VAL 87 CO -0.06 0.06 1.33 -2.16 -0.31 0.00 0.00 175.10 173.96 1q82 s PRO 88 N -1.91 4.07 -0.48 4.82 0.04 -1.26 0.17 135.00 140.45 1q82 s PRO 88 Ca 0.11 2.24 -0.13 0.00 0.04 0.00 0.00 61.00 63.26 1q82 s PRO 88 Cb -0.10 -2.86 0.10 0.00 0.04 0.00 0.00 34.50 31.68 1q82 s PRO 88 CO 0.05 -0.44 0.39 0.50 0.04 0.00 0.00 177.00 177.54 1q82 s ARG 89 N -2.12 2.80 0.38 4.56 6.06 -0.77 -4.69 118.95 125.18 1q82 s ARG 89 Ca 0.54 -1.56 -0.23 0.00 -2.50 0.00 0.00 55.73 51.98 1q82 s ARG 89 Cb -0.40 -4.06 -0.14 0.00 0.06 0.00 0.00 34.95 30.41 1q82 s ARG 89 CO 0.52 -1.13 0.52 -2.30 -2.50 0.00 0.00 175.30 170.41 1q82 n PRO 90 N 5.09 0.49 -4.30 5.12 -0.02 -1.26 -4.79 135.00 135.34 1q82 n PRO 90 Ca -0.11 0.18 -0.19 0.00 -2.02 0.00 0.00 63.50 61.36 1q82 n PRO 90 Cb 0.42 -1.40 -0.13 0.00 -0.02 0.00 0.00 33.50 32.37 1q82 n PRO 90 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1q82 s LEU 91 N 2.17 2.17 -0.25 2.45 1.43 -0.70 -4.94 118.68 121.01 1q82 s LEU 91 Ca 0.62 -0.44 -0.20 0.00 -1.03 0.00 0.00 54.13 53.08 1q82 s LEU 91 Cb -0.66 -0.52 -0.02 0.00 0.03 0.00 0.00 46.19 45.03 1q82 s LEU 91 CO 0.59 0.00 0.63 -0.62 0.23 0.00 0.00 176.35 177.18 1q82 s ASP 92 N -1.11 6.59 0.56 2.29 -1.08 -1.26 -1.79 116.67 120.87 1q82 s ASP 92 Ca 0.00 0.73 0.44 0.00 -0.52 0.00 0.00 52.55 53.19 1q82 s ASP 92 Cb -0.08 -2.34 1.62 0.00 -1.46 0.00 0.00 42.92 40.66 1q82 s ASP 92 CO 0.01 -0.35 1.65 0.71 0.52 0.00 0.00 175.17 177.70 1q82 h THR 93 N 5.37 0.16 -0.01 1.71 1.35 -1.83 0.68 112.91 120.34 1q82 h THR 93 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1q82 h THR 93 Cb 1.13 0.16 -0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1q82 h THR 93 CO 0.77 0.00 0.03 -1.28 -0.25 0.00 0.00 175.52 174.79 1q82 h SER 94 N 0.00 0.00 -0.50 5.36 0.87 -1.90 0.35 113.55 117.73 1q82 h SER 94 Ca 0.76 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.32 1q82 h SER 94 Cb 3.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 65.09 1q82 h SER 94 CO -0.01 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 176.88 1q82 n ASN 95 N -3.25 5.19 -4.24 6.23 3.02 0.24 -4.96 115.26 117.48 1q82 n ASN 95 Ca -0.03 -2.92 -0.17 0.00 -0.03 0.00 0.00 54.58 51.43 1q82 n ASN 95 Cb 0.11 -0.64 -0.11 0.00 -0.61 0.00 0.00 39.78 38.53 1q82 n ASN 95 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1q82 s VAL 96 N -2.72 1.29 -0.04 2.41 1.01 0.11 -1.38 120.40 121.08 1q82 s VAL 96 Ca 0.51 -1.78 0.02 0.00 0.00 0.00 0.00 61.98 60.73 1q82 s VAL 96 Cb 0.39 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 35.21 1q82 s VAL 96 CO 0.15 -0.48 -0.07 -0.60 0.00 0.00 0.00 175.10 174.10 1q82 s ARG 97 N -2.86 1.00 -0.08 2.72 3.52 -0.60 -3.60 118.95 119.04 1q82 s ARG 97 Ca 0.10 -0.20 -0.29 0.00 -0.13 0.00 0.00 55.73 55.21 1q82 s ARG 97 Cb -0.04 -0.93 -0.02 0.00 -1.56 0.00 0.00 34.95 32.40 1q82 s ARG 97 CO 0.03 -0.01 0.96 0.08 -0.81 0.00 0.00 175.30 175.54 1q82 s VAL 98 N 0.68 4.84 -0.13 7.11 1.01 -0.75 0.60 120.40 133.76 1q82 s VAL 98 Ca -0.10 1.95 0.08 0.00 0.00 0.00 0.00 61.98 63.91 1q82 s VAL 98 Cb -0.13 -4.27 -0.11 0.00 0.00 0.00 0.00 36.38 31.86 1q82 s VAL 98 CO 0.01 0.07 0.22 0.35 0.00 0.00 0.00 175.10 175.75 1q82 n THR 99 N 4.35 0.00 -3.76 3.92 -2.24 -0.79 -2.04 114.28 113.72 1q82 n THR 99 Ca 0.07 -0.23 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 1q82 n THR 99 Cb 0.49 0.54 -0.11 0.00 -2.10 0.00 0.00 70.33 69.15 1q82 n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1q82 s ASP 100 N -2.53 -0.32 -0.03 3.42 -1.08 -1.21 -4.95 116.67 109.97 1q82 s ASP 100 Ca -0.01 0.62 0.02 0.00 -0.52 0.00 0.00 52.55 52.66 1q82 s ASP 100 Cb 0.05 0.60 -0.03 0.00 -1.46 0.00 0.00 42.92 42.08 1q82 s ASP 100 CO 0.33 -0.12 -0.06 -0.76 0.52 0.00 0.00 175.17 175.07 1q82 s LEU 101 N 0.37 3.19 -0.43 -1.34 1.43 -1.26 -1.00 118.68 119.64 1q82 s LEU 101 Ca -0.02 -0.08 -0.20 0.00 -1.03 0.00 0.00 54.13 52.81 1q82 s LEU 101 Cb -0.03 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.44 1q82 s LEU 101 CO -0.02 0.32 0.59 -0.62 0.23 0.00 0.00 176.35 176.86 1q82 s ASP 102 N -1.13 6.30 -0.35 2.29 -1.08 -1.26 -4.89 116.67 116.54 1q82 s ASP 102 Ca 0.15 -0.39 0.06 0.00 -0.52 0.00 0.00 52.55 51.86 1q82 s ASP 102 Cb -0.11 -2.30 0.49 0.00 -1.46 0.00 0.00 42.92 39.55 1q82 s ASP 102 CO 0.05 -0.72 1.51 0.18 0.52 0.00 0.00 175.17 176.71 1q82 n LEU 103 N 6.09 4.94 0.06 -1.34 4.77 -1.26 -4.69 117.00 125.56 1q82 n LEU 103 Ca -0.03 -4.08 0.07 0.00 -0.03 0.00 0.00 56.01 51.94 1q82 n LEU 103 Cb 0.48 -0.63 0.32 0.00 -2.33 0.00 0.00 43.42 41.26 1q82 n LEU 103 CO 0.51 1.49 0.72 -0.62 -1.33 0.00 0.00 177.39 178.16 1q82 n GLU 104 N -1.01 0.07 -3.51 3.23 1.02 -1.26 -4.57 120.64 114.61 1q82 n GLU 104 Ca 0.41 0.42 -0.37 0.00 -0.02 0.00 0.00 57.16 57.60 1q82 n GLU 104 Cb 0.99 -1.67 -0.08 0.00 -0.02 0.00 0.00 31.44 30.66 1q82 n GLU 104 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1q82 s ASP 105 N -3.48 6.31 0.13 1.62 -1.08 -1.26 -4.96 116.67 113.95 1q82 s ASP 105 Ca 0.03 0.35 -0.19 0.00 -0.52 0.00 0.00 52.55 52.22 1q82 s ASP 105 Cb 0.06 -2.18 -0.05 0.00 -1.46 0.00 0.00 42.92 39.30 1q82 s ASP 105 CO 0.22 -0.00 1.78 -0.33 0.52 0.00 0.00 175.17 177.35 1q82 h GLU 106 N 7.36 0.29 0.11 4.34 5.08 -2.00 -2.35 114.58 127.42 1q82 h GLU 106 Ca -0.37 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1q82 h GLU 106 Cb 1.16 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1q82 h GLU 106 CO 0.70 0.19 -0.17 0.87 -1.00 0.00 0.00 179.01 179.60 1q82 h LYS 107 N 0.30 -0.33 0.25 2.33 1.57 -1.95 0.78 116.57 119.52 1q82 h LYS 107 Ca 0.09 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1q82 h LYS 107 Cb -0.02 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1q82 h LYS 107 CO -0.03 -0.22 -0.29 -0.09 -0.57 0.00 0.00 179.45 178.24 1q82 h ARG 108 N -0.34 -0.56 -0.90 3.15 2.43 -1.91 -0.47 114.38 115.78 1q82 h ARG 108 Ca 0.02 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.35 1q82 h ARG 108 Cb 0.36 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.96 1q82 h ARG 108 CO -0.09 -0.38 0.58 1.49 -1.51 0.00 0.00 179.97 180.06 1q82 h GLU 109 N -0.59 0.78 0.21 0.20 4.81 -1.34 0.28 114.58 118.93 1q82 h GLU 109 Ca -0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1q82 h GLU 109 Cb 0.56 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1q82 h GLU 109 CO -0.09 0.51 -0.10 0.00 -0.73 0.00 0.00 179.01 178.60 1q82 h ALA 110 N 1.58 -0.28 -0.49 2.92 0.00 -0.17 -1.22 119.26 121.60 1q82 h ALA 110 Ca 0.44 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.31 1q82 h ALA 110 Cb 0.57 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1q82 h ALA 110 CO -0.20 -0.60 0.18 0.00 0.00 0.00 0.00 179.25 178.63 1q82 h ARG 111 N -0.40 0.36 -0.33 0.00 3.08 -0.21 -0.81 114.38 116.07 1q82 h ARG 111 Ca -0.03 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.05 1q82 h ARG 111 Cb 0.30 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 1q82 h ARG 111 CO 0.05 0.24 0.03 -0.07 -1.07 0.00 0.00 179.97 179.15 1q82 h LEU 112 N 0.37 -0.06 0.01 3.04 3.38 -0.77 -3.17 115.31 118.12 1q82 h LEU 112 Ca 0.23 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1q82 h LEU 112 Cb 0.22 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1q82 h LEU 112 CO -0.22 0.01 -0.01 -0.33 0.09 0.00 0.00 178.44 177.98 1q82 h GLU 113 N 0.14 -0.02 -6.34 1.13 5.08 -0.82 -3.46 114.58 110.30 1q82 h GLU 113 Ca 0.16 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.96 1q82 h GLU 113 Cb 0.19 0.00 0.21 0.00 0.50 0.00 0.00 28.75 29.66 1q82 h GLU 113 CO -0.23 0.46 -1.08 -1.13 -1.00 0.00 0.00 179.01 176.02 1q82 n SER 114 N -4.87 -3.50 -0.69 1.42 3.41 -0.35 -4.89 113.62 104.15 1q82 n SER 114 Ca -0.08 0.41 0.08 0.00 -0.26 0.00 0.00 58.87 59.01 1q82 n SER 114 Cb 0.25 -0.99 0.11 0.00 -0.26 0.00 0.00 64.21 63.31 1q82 n SER 114 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1q82 n GLU 115 N 0.60 1.62 -0.02 4.33 0.28 -1.26 -4.36 120.64 121.83 1q82 n GLU 115 Ca 0.05 -1.66 0.06 0.00 -0.16 0.00 0.00 57.16 55.45 1q82 n GLU 115 Cb 0.52 -1.32 0.06 0.00 1.43 0.00 0.00 31.44 32.13 1q82 n GLU 115 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1q82 n ASP 116 N 0.87 2.01 -3.88 -1.84 8.00 -1.26 -5.00 116.55 115.46 1q82 n ASP 116 Ca 0.11 -1.51 -0.10 0.00 0.71 0.00 0.00 54.79 54.00 1q82 n ASP 116 Cb 0.41 -0.02 -0.09 0.00 -0.02 0.00 0.00 41.12 41.40 1q82 n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1q82 s ASP 117 N -0.93 0.07 0.09 -2.24 -1.08 -1.26 -5.17 116.67 106.15 1q82 s ASP 117 Ca 0.14 -0.36 0.10 0.00 -0.52 0.00 0.00 52.55 51.91 1q82 s ASP 117 Cb 0.10 0.24 -0.03 0.00 -1.46 0.00 0.00 42.92 41.76 1q82 s ASP 117 CO 0.14 -0.48 -0.25 -0.94 0.52 0.00 0.00 175.17 174.16 1q82 s SER 118 N -1.85 3.07 0.00 -0.34 1.04 -1.26 -4.70 113.70 109.65 1q82 s SER 118 Ca -0.08 -0.67 0.03 0.00 0.48 0.00 0.00 55.95 55.71 1q82 s SER 118 Cb -0.03 -0.23 0.02 0.00 0.10 0.00 0.00 66.02 65.88 1q82 s SER 118 CO -0.02 0.19 0.59 0.00 0.98 0.00 0.00 173.24 174.98