#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q7y n LYS 2 N 0.00 0.34 -2.49 4.33 2.85 -1.26 -4.75 118.16 117.18 1q7y n LYS 2 Ca 0.00 -0.27 -0.42 0.00 -1.05 0.00 0.00 58.31 56.57 1q7y n LYS 2 Cb 0.00 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 32.86 1q7y n LYS 2 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1q7y s GLN 3 N -2.84 4.38 0.27 -1.58 -0.21 -1.26 -4.97 119.66 113.44 1q7y s GLN 3 Ca 0.12 1.64 -0.01 0.00 0.02 0.00 0.00 55.36 57.13 1q7y s GLN 3 Cb 0.17 -3.53 0.56 0.00 1.00 0.00 0.00 33.01 31.21 1q7y s GLN 3 CO 0.75 -0.39 1.74 -1.35 -2.12 0.00 0.00 175.29 173.92 1q7y h PRO 4 N 7.31 0.53 -0.42 2.91 0.11 -1.99 -0.17 132.00 140.29 1q7y h PRO 4 Ca -0.35 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.63 1q7y h PRO 4 Cb 1.17 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1q7y h PRO 4 CO 0.86 0.35 -0.15 -0.44 -0.21 0.00 0.00 178.00 178.42 1q7y h ASP 5 N 0.55 0.77 0.10 -2.05 5.19 -1.98 -1.98 116.42 117.01 1q7y h ASP 5 Ca 0.47 -0.24 -0.00 0.00 -0.62 0.00 0.00 57.03 56.63 1q7y h ASP 5 Cb 0.73 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.03 1q7y h ASP 5 CO -0.40 0.92 -0.05 0.11 -3.12 0.00 0.00 179.24 176.70 1q7y h LYS 6 N 0.69 -0.13 -0.65 3.56 1.57 -1.80 -0.80 116.57 119.01 1q7y h LYS 6 Ca 0.11 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.03 1q7y h LYS 6 Cb 0.63 0.03 -0.12 0.00 0.08 0.00 0.00 32.23 32.85 1q7y h LYS 6 CO 0.04 0.38 -0.16 1.96 -0.57 0.00 0.00 179.45 181.10 1q7y h GLN 7 N -0.76 0.00 0.00 3.15 1.08 -0.98 0.18 115.11 117.77 1q7y h GLN 7 Ca -0.01 -0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.09 1q7y h GLN 7 Cb 0.57 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 1q7y h GLN 7 CO 0.02 0.00 -0.47 0.00 -0.95 0.00 0.00 178.83 177.43 1q7y h ARG 8 N 0.00 0.00 0.08 1.46 3.08 -1.43 -2.57 114.38 115.01 1q7y h ARG 8 Ca 0.31 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.36 1q7y h ARG 8 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1q7y h ARG 8 CO -0.67 0.47 -0.04 -0.22 -1.07 0.00 0.00 179.97 178.44 1q7y h LYS 9 N 0.00 -0.11 -0.59 0.04 3.64 0.82 -1.91 116.57 118.46 1q7y h LYS 9 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1q7y h LYS 9 Cb 0.85 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 1q7y h LYS 9 CO 0.06 0.28 0.39 0.66 -2.27 0.00 0.00 179.45 178.57 1q7y h SER 10 N -0.52 0.69 -0.22 4.20 4.64 -1.10 -0.51 113.55 120.72 1q7y h SER 10 Ca -0.01 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 1q7y h SER 10 Cb 0.44 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1q7y h SER 10 CO 0.02 0.50 0.03 1.56 -0.87 0.00 0.00 176.83 178.07 1q7y h GLN 11 N 0.81 0.37 0.00 4.77 4.20 -1.42 -1.94 115.11 121.89 1q7y h GLN 11 Ca 0.22 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1q7y h GLN 11 Cb -0.09 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.65 1q7y h GLN 11 CO -0.05 0.52 0.00 0.00 -0.67 0.00 0.00 178.83 178.64 1q7y h ARG 12 N 0.16 0.00 -0.02 1.46 3.08 -0.81 -3.24 114.38 115.01 1q7y h ARG 12 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1q7y h ARG 12 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1q7y h ARG 12 CO 0.01 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.45 1q7y n ARG 13 N -2.74 0.29 -1.62 0.04 1.74 -0.25 -5.01 116.66 109.11 1q7y n ARG 13 Ca 0.02 -1.05 -0.49 0.00 -0.77 0.00 0.00 57.85 55.57 1q7y n ARG 13 Cb 0.34 -1.17 -0.05 0.00 -1.02 0.00 0.00 32.46 30.56 1q7y n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q7y n ALA 14 N 0.50 0.07 -1.54 7.54 0.00 -0.74 -4.92 120.51 121.41 1q7y n ALA 14 Ca 0.05 0.48 -0.35 0.00 0.00 0.00 0.00 53.44 53.62 1q7y n ALA 14 Cb 0.23 -2.19 0.07 0.00 0.00 0.00 0.00 19.45 17.56 1q7y n ALA 14 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1q7y s PRO 15 N 0.44 2.46 0.09 0.00 0.02 -1.26 -4.75 135.00 132.00 1q7y s PRO 15 Ca 0.80 1.82 -0.18 0.00 0.02 0.00 0.00 61.00 63.46 1q7y s PRO 15 Cb -0.82 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 31.80 1q7y s PRO 15 CO 0.45 -1.60 0.90 1.28 -0.33 0.00 0.00 177.00 177.70 1q7y n LEU 16 N -2.25 -0.61 0.33 -5.54 4.77 -1.26 0.03 117.00 112.47 1q7y n LEU 16 Ca 0.14 1.04 0.21 0.00 -0.03 0.00 0.00 56.01 57.37 1q7y n LEU 16 Cb 0.50 -0.14 1.15 0.00 -2.33 0.00 0.00 43.42 42.59 1q7y n LEU 16 CO 0.47 -0.84 1.18 1.12 -1.33 0.00 0.00 177.39 177.98 1q7y h HIS 17 N 0.00 0.00 -0.22 -1.77 2.07 -2.02 0.10 115.15 113.32 1q7y h HIS 17 Ca 0.09 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.61 1q7y h HIS 17 Cb 0.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.22 1q7y h HIS 17 CO -0.61 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 174.64 1q7y n GLU 18 N -3.20 1.65 0.01 5.12 1.02 0.10 -3.58 120.64 121.76 1q7y n GLU 18 Ca -0.03 -1.00 0.11 0.00 -0.02 0.00 0.00 57.16 56.22 1q7y n GLU 18 Cb 0.10 -1.31 -0.08 0.00 -0.02 0.00 0.00 31.44 30.14 1q7y n GLU 18 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1q7y n ARG 19 N 0.26 0.33 -0.32 3.49 1.74 0.35 -4.04 116.66 118.46 1q7y n ARG 19 Ca 0.13 -0.06 0.16 0.00 -0.77 0.00 0.00 57.85 57.31 1q7y n ARG 19 Cb 0.27 -1.55 0.39 0.00 -1.02 0.00 0.00 32.46 30.55 1q7y n ARG 19 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1q7y h HIS 20 N 0.00 0.89 0.00 -1.55 3.86 -1.68 0.37 115.15 117.04 1q7y h HIS 20 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1q7y h HIS 20 Cb 0.75 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1q7y h HIS 20 CO 0.00 0.19 0.00 1.57 0.86 0.00 0.00 177.93 180.55 1q7y h LYS 21 N 0.63 0.00 0.00 2.45 2.10 -1.84 -2.06 116.57 117.85 1q7y h LYS 21 Ca 0.56 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.21 1q7y h LYS 21 Cb 1.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 1q7y h LYS 21 CO -0.33 0.00 -0.49 1.04 -2.00 0.00 0.00 179.45 177.67 1q7y n GLN 22 N -2.45 0.05 -1.17 0.07 6.02 0.13 -3.65 117.38 116.38 1q7y n GLN 22 Ca 0.01 0.01 -0.16 0.00 -0.01 0.00 0.00 57.00 56.85 1q7y n GLN 22 Cb 0.18 -1.53 0.15 0.00 1.02 0.00 0.00 30.24 30.06 1q7y n GLN 22 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1q7y n VAL 23 N -1.60 2.84 -3.46 5.09 0.24 -0.78 -4.68 118.33 115.98 1q7y n VAL 23 Ca 0.05 -2.90 -0.30 0.00 -2.04 0.00 0.00 64.34 59.15 1q7y n VAL 23 Cb 0.35 -0.62 -0.04 0.00 -1.47 0.00 0.00 33.84 32.06 1q7y n VAL 23 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1q7y s ARG 24 N -3.42 3.67 0.13 7.34 0.52 -1.24 -2.01 118.95 123.93 1q7y s ARG 24 Ca 0.51 0.03 -0.04 0.00 -0.52 0.00 0.00 55.73 55.71 1q7y s ARG 24 Cb 0.44 -2.71 -0.03 0.00 0.52 0.00 0.00 34.95 33.17 1q7y s ARG 24 CO 0.02 0.32 0.13 0.00 0.02 0.00 0.00 175.30 175.79 1q7y s ALA 25 N -1.89 0.43 0.43 2.13 0.00 -0.51 -4.03 121.76 118.31 1q7y s ALA 25 Ca 0.44 -1.16 -0.22 0.00 0.00 0.00 0.00 51.96 51.02 1q7y s ALA 25 Cb -0.11 0.75 -0.10 0.00 0.00 0.00 0.00 23.12 23.66 1q7y s ALA 25 CO 0.26 -0.53 1.00 -0.08 0.00 0.00 0.00 175.76 176.42 1q7y s THR 26 N -3.99 4.00 -0.09 0.00 -1.32 -1.25 -0.88 115.64 112.11 1q7y s THR 26 Ca 0.18 1.37 -0.06 0.00 -1.21 0.00 0.00 61.69 61.97 1q7y s THR 26 Cb 0.06 -3.63 -0.04 0.00 -1.51 0.00 0.00 72.50 67.38 1q7y s THR 26 CO -0.02 -0.15 0.15 -0.76 -2.21 0.00 0.00 174.62 171.63 1q7y s LEU 27 N -2.98 4.36 1.01 9.08 1.43 0.90 -2.13 118.68 130.35 1q7y s LEU 27 Ca 0.61 0.43 -0.16 0.00 -1.03 0.00 0.00 54.13 53.98 1q7y s LEU 27 Cb -0.16 -2.18 0.02 0.00 0.03 0.00 0.00 46.19 43.90 1q7y s LEU 27 CO 0.20 0.38 0.02 -1.54 0.23 0.00 0.00 176.35 175.64 1q7y n SER 28 N 1.76 -2.69 0.20 2.29 3.41 -0.92 -4.56 113.62 113.11 1q7y n SER 28 Ca -0.18 0.15 -0.15 0.00 -0.26 0.00 0.00 58.87 58.43 1q7y n SER 28 Cb 0.54 -1.03 -0.07 0.00 -0.26 0.00 0.00 64.21 63.39 1q7y n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q7y h ALA 29 N -1.63 -0.65 -0.86 7.33 0.00 -1.98 -2.30 119.26 119.17 1q7y h ALA 29 Ca -0.46 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 54.48 1q7y h ALA 29 Cb 1.32 0.45 -0.15 0.00 0.00 0.00 0.00 17.79 19.41 1q7y h ALA 29 CO 0.33 -0.90 -0.37 -0.44 0.00 0.00 0.00 179.25 177.88 1q7y h ASP 30 N -0.65 -1.33 -0.06 0.00 3.32 -1.99 -0.63 116.42 115.09 1q7y h ASP 30 Ca -0.01 0.28 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 1q7y h ASP 30 Cb 0.59 0.69 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1q7y h ASP 30 CO -0.07 -0.29 -0.09 -0.07 -1.72 0.00 0.00 179.24 177.00 1q7y h LEU 31 N -0.05 0.31 -0.29 1.55 3.38 -1.85 0.67 115.31 119.03 1q7y h LEU 31 Ca 0.31 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 1q7y h LEU 31 Cb 0.58 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1q7y h LEU 31 CO -0.89 0.44 -0.07 0.03 0.09 0.00 0.00 178.44 178.04 1q7y h ARG 32 N 0.31 0.55 0.82 1.13 3.08 -0.57 -0.07 114.38 119.62 1q7y h ARG 32 Ca 0.06 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 1q7y h ARG 32 Cb 0.36 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1q7y h ARG 32 CO 0.02 0.75 -0.44 1.49 -1.07 0.00 0.00 179.97 180.72 1q7y h GLU 33 N 0.31 -1.11 -0.44 0.04 4.57 -0.84 0.26 114.58 117.38 1q7y h GLU 33 Ca 0.07 0.08 0.07 0.00 -1.18 0.00 0.00 59.36 58.40 1q7y h GLU 33 Cb 0.55 0.25 -0.09 0.00 -0.16 0.00 0.00 28.75 29.30 1q7y h GLU 33 CO 0.03 -0.74 -0.46 1.49 -1.18 0.00 0.00 179.01 178.15 1q7y h GLU 34 N -1.15 -0.31 0.00 1.92 4.81 0.53 -3.21 114.58 117.16 1q7y h GLU 34 Ca -0.11 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1q7y h GLU 34 Cb 0.90 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1q7y h GLU 34 CO 0.15 -0.21 -1.10 0.66 -0.73 0.00 0.00 179.01 177.79 1q7y n TYR 35 N -5.41 0.05 -2.15 0.92 4.02 -0.06 -5.00 117.16 109.53 1q7y n TYR 35 Ca -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1q7y n TYR 35 Cb 0.35 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 1q7y n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1q7y n GLY 36 N 1.44 0.84 3.11 2.72 0.00 0.90 -4.76 105.19 109.44 1q7y n GLY 36 Ca 0.03 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 1q7y n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q7y s GLN 37 N -4.32 0.62 -0.09 1.61 -0.21 -1.22 -5.07 119.66 110.98 1q7y s GLN 37 Ca 0.00 -1.02 0.05 0.00 0.02 0.00 0.00 55.36 54.41 1q7y s GLN 37 Cb 0.00 0.23 -0.24 0.00 1.00 0.00 0.00 33.01 34.00 1q7y s GLN 37 CO 0.00 -0.14 0.48 -2.13 -2.12 0.00 0.00 175.29 171.38 1q7y n ARG 38 N 0.35 0.69 -4.16 2.91 0.63 -1.26 -4.21 116.66 111.60 1q7y n ARG 38 Ca -0.16 0.26 -0.17 0.00 -0.92 0.00 0.00 57.85 56.86 1q7y n ARG 38 Cb 0.60 -1.74 -0.05 0.00 0.45 0.00 0.00 32.46 31.72 1q7y n ARG 38 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1q7y s ASN 39 N -6.46 1.29 0.16 6.15 6.03 -1.26 -0.07 114.94 120.79 1q7y s ASN 39 Ca -0.13 -1.62 -0.16 0.00 -1.03 0.00 0.00 52.86 49.92 1q7y s ASN 39 Cb 0.07 0.65 0.03 0.00 -3.03 0.00 0.00 41.25 38.97 1q7y s ASN 39 CO 0.80 -1.25 0.45 0.54 -2.03 0.00 0.00 177.10 175.60 1q7y s VAL 40 N -3.07 0.05 -0.42 3.54 0.11 -0.06 -4.82 120.40 115.73 1q7y s VAL 40 Ca 0.34 -0.77 -0.26 0.00 -2.93 0.00 0.00 61.98 58.37 1q7y s VAL 40 Cb 0.00 -1.45 0.02 0.00 -1.53 0.00 0.00 36.38 33.43 1q7y s VAL 40 CO 0.24 -0.21 0.95 -0.60 -3.33 0.00 0.00 175.10 172.15 1q7y s ARG 41 N -3.86 3.70 0.20 1.54 3.52 -1.19 -1.42 118.95 121.43 1q7y s ARG 41 Ca 0.08 0.40 -0.32 0.00 -0.13 0.00 0.00 55.73 55.76 1q7y s ARG 41 Cb 0.01 -3.87 -0.15 0.00 -1.56 0.00 0.00 34.95 29.38 1q7y s ARG 41 CO -0.06 -1.11 1.28 0.28 -0.81 0.00 0.00 175.30 174.88 1q7y n VAL 42 N 6.26 0.86 -4.45 7.11 0.31 -0.85 -4.98 118.33 122.58 1q7y n VAL 42 Ca 0.07 -0.22 -0.24 0.00 -0.01 0.00 0.00 64.34 63.95 1q7y n VAL 42 Cb 0.48 -1.12 -0.10 0.00 -0.91 0.00 0.00 33.84 32.19 1q7y n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1q7y s ASN 43 N 0.16 3.66 0.00 4.52 0.02 -1.26 -4.99 114.94 117.05 1q7y s ASN 43 Ca 0.72 -0.99 0.02 0.00 -1.02 0.00 0.00 52.86 51.58 1q7y s ASN 43 Cb -0.77 -0.34 0.12 0.00 0.02 0.00 0.00 41.25 40.28 1q7y s ASN 43 CO 0.51 0.04 0.51 0.00 0.02 0.00 0.00 177.10 178.18 1q7y n ALA 44 N -0.60 1.90 -0.04 0.60 0.00 -1.26 -1.93 120.51 119.17 1q7y n ALA 44 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 1q7y n ALA 44 Cb 0.60 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.91 1q7y n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q7y n GLY 45 N -0.13 -0.63 3.74 0.00 0.00 -1.26 -4.51 105.19 102.40 1q7y n GLY 45 Ca 0.01 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 1q7y n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q7y s ASP 46 N -4.16 4.46 0.10 1.61 1.01 -0.81 -4.43 116.67 114.45 1q7y s ASP 46 Ca -0.06 2.21 0.03 0.00 0.71 0.00 0.00 52.55 55.44 1q7y s ASP 46 Cb 0.06 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 1q7y s ASP 46 CO 0.55 -2.08 0.14 -0.89 0.21 0.00 0.00 175.17 173.10 1q7y s THR 47 N -2.16 4.77 -0.00 -1.27 2.01 -0.79 0.17 115.64 118.36 1q7y s THR 47 Ca 0.71 -0.75 -0.20 0.00 0.31 0.00 0.00 61.69 61.76 1q7y s THR 47 Cb -0.25 -3.35 0.04 0.00 0.01 0.00 0.00 72.50 68.95 1q7y s THR 47 CO 0.45 0.06 0.43 -0.69 -0.69 0.00 0.00 174.62 174.18 1q7y s VAL 48 N -1.52 0.04 -0.13 3.82 1.01 -0.23 -1.97 120.40 121.42 1q7y s VAL 48 Ca 0.31 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1q7y s VAL 48 Cb -0.12 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 1q7y s VAL 48 CO 0.24 -0.20 -0.14 -1.83 0.00 0.00 0.00 175.10 173.18 1q7y s GLU 49 N -1.71 3.37 -0.26 2.72 -1.05 0.55 -1.87 118.70 120.43 1q7y s GLU 49 Ca -0.10 -0.70 -0.29 0.00 -0.15 0.00 0.00 54.97 53.73 1q7y s GLU 49 Cb -0.02 -2.62 -0.00 0.00 -0.44 0.00 0.00 34.13 31.05 1q7y s GLU 49 CO 0.03 0.21 1.27 0.08 0.95 0.00 0.00 175.26 177.79 1q7y s VAL 50 N 0.37 4.22 -0.76 1.83 1.01 -0.51 -0.17 120.40 126.40 1q7y s VAL 50 Ca -0.11 1.41 0.22 0.00 0.00 0.00 0.00 61.98 63.50 1q7y s VAL 50 Cb -0.16 -4.14 -0.19 0.00 0.00 0.00 0.00 36.38 31.89 1q7y s VAL 50 CO 0.06 -0.38 0.92 0.18 0.00 0.00 0.00 175.10 175.88 1q7y n LEU 51 N 7.27 0.70 0.00 3.92 4.77 0.34 -0.12 117.00 133.87 1q7y n LEU 51 Ca 0.14 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1q7y n LEU 51 Cb 0.46 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1q7y n LEU 51 CO 0.61 0.15 -0.35 0.54 -1.33 0.00 0.00 177.39 177.00 1q7y n ARG 52 N -1.73 0.00 0.00 3.23 5.12 -1.16 -4.82 116.66 117.30 1q7y n ARG 52 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 1q7y n ARG 52 Cb 0.39 -0.80 0.00 0.00 -1.16 0.00 0.00 32.46 30.90 1q7y n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1q7y n GLY 53 N 2.86 -2.45 0.05 -0.13 0.00 -1.26 -4.58 105.19 99.68 1q7y n GLY 53 Ca 0.00 -0.82 0.13 0.00 0.00 0.00 0.00 46.02 45.33 1q7y n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q7y n ASP 54 N 0.00 0.39 -1.38 1.61 10.43 -1.26 -3.05 116.55 123.29 1q7y n ASP 54 Ca 0.00 -0.18 0.09 0.00 2.57 0.00 0.00 54.79 57.27 1q7y n ASP 54 Cb 0.00 -0.06 0.32 0.00 1.84 0.00 0.00 41.12 43.22 1q7y n ASP 54 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1q7y n PHE 55 N -1.28 1.24 -1.89 1.24 3.01 -1.26 -5.00 117.46 113.53 1q7y n PHE 55 Ca 0.09 -0.60 -0.41 0.00 1.01 0.00 0.00 57.45 57.53 1q7y n PHE 55 Cb 0.32 -0.19 -0.02 0.00 -0.01 0.00 0.00 39.48 39.58 1q7y n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1q7y s ALA 56 N -1.70 3.66 0.00 4.37 0.00 -1.17 -2.00 121.76 124.92 1q7y s ALA 56 Ca 0.47 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.89 1q7y s ALA 56 Cb 0.29 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1q7y s ALA 56 CO 0.24 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.53 1q7y n GLY 57 N 1.89 3.18 3.70 0.00 0.00 0.83 -4.98 105.19 109.80 1q7y n GLY 57 Ca 0.06 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 1q7y n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q7y s GLU 58 N 0.00 1.34 0.00 1.61 2.02 -0.85 -4.76 118.70 118.07 1q7y s GLU 58 Ca 0.00 1.37 0.01 0.00 0.02 0.00 0.00 54.97 56.36 1q7y s GLU 58 Cb 0.00 -1.78 -0.01 0.00 0.10 0.00 0.00 34.13 32.45 1q7y s GLU 58 CO 0.00 -2.35 -0.03 -1.21 0.02 0.00 0.00 175.26 171.70 1q7y s GLU 59 N -4.74 0.22 0.04 1.61 2.02 -1.26 -1.43 118.70 115.17 1q7y s GLU 59 Ca 0.65 -0.18 -0.28 0.00 0.02 0.00 0.00 54.97 55.18 1q7y s GLU 59 Cb -0.21 -0.16 0.09 0.00 0.10 0.00 0.00 34.13 33.96 1q7y s GLU 59 CO 0.58 0.04 0.95 0.20 0.02 0.00 0.00 175.26 177.05 1q7y s GLY 60 N -0.31 -0.37 0.36 -1.39 0.00 -0.78 -5.00 107.32 99.83 1q7y s GLY 60 Ca -0.02 0.72 -0.25 0.00 0.00 0.00 0.00 44.72 45.18 1q7y s GLY 60 CO -0.00 0.22 1.00 1.85 0.00 0.00 0.00 173.10 176.17 1q7y s GLU 61 N -3.10 4.36 -0.45 2.90 2.12 -1.26 -1.07 118.70 122.20 1q7y s GLU 61 Ca 0.08 1.43 -0.28 0.00 0.36 0.00 0.00 54.97 56.56 1q7y s GLU 61 Cb -0.01 -2.66 0.03 0.00 0.26 0.00 0.00 34.13 31.75 1q7y s GLU 61 CO -0.05 0.05 1.09 0.08 -0.54 0.00 0.00 175.26 175.89 1q7y s VAL 62 N -1.65 4.31 0.01 3.70 1.01 0.13 -0.24 120.40 127.67 1q7y s VAL 62 Ca 0.54 1.22 0.11 0.00 0.00 0.00 0.00 61.98 63.85 1q7y s VAL 62 Cb -0.20 -4.54 -0.19 0.00 0.00 0.00 0.00 36.38 31.45 1q7y s VAL 62 CO 0.26 -0.88 1.02 0.40 0.00 0.00 0.00 175.10 175.89 1q7y h ILE 63 N 6.12 1.21 -2.49 2.22 1.08 -0.33 -3.35 117.51 121.97 1q7y h ILE 63 Ca -0.23 -2.93 -0.09 0.00 -0.39 0.00 0.00 64.86 61.22 1q7y h ILE 63 Cb 1.06 2.58 -0.23 0.00 -3.07 0.00 0.00 36.82 37.17 1q7y h ILE 63 CO 1.09 0.69 -0.10 0.21 -0.69 0.00 0.00 178.15 179.35 1q7y s ASN 64 N -6.37 -0.53 -0.12 1.72 2.47 -1.02 -4.92 114.94 106.17 1q7y s ASN 64 Ca -0.01 0.98 0.00 0.00 0.42 0.00 0.00 52.86 54.25 1q7y s ASN 64 Cb 0.09 1.00 0.02 0.00 -1.45 0.00 0.00 41.25 40.91 1q7y s ASN 64 CO 0.81 -0.21 -0.10 -0.69 -3.72 0.00 0.00 177.10 173.20 1q7y s VAL 65 N 0.13 1.16 -0.27 -5.21 1.01 -1.26 -0.46 120.40 115.50 1q7y s VAL 65 Ca -0.01 -0.38 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 1q7y s VAL 65 Cb -0.04 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.21 1q7y s VAL 65 CO 0.01 0.39 0.03 -0.62 0.00 0.00 0.00 175.10 174.91 1q7y s ASP 66 N 1.55 4.80 0.01 3.32 -1.08 -0.27 -5.01 116.67 119.98 1q7y s ASP 66 Ca 0.03 -0.64 -0.24 0.00 -0.52 0.00 0.00 52.55 51.18 1q7y s ASP 66 Cb -0.13 -1.81 -0.17 0.00 -1.46 0.00 0.00 42.92 39.35 1q7y s ASP 66 CO -0.07 -0.13 1.34 -0.07 0.52 0.00 0.00 175.17 176.75 1q7y h LEU 67 N 8.16 0.13 -0.19 -1.34 3.38 -1.95 -0.98 115.31 122.52 1q7y h LEU 67 Ca -0.34 -0.44 0.04 0.00 0.09 0.00 0.00 57.88 57.23 1q7y h LEU 67 Cb 1.13 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1q7y h LEU 67 CO 0.59 0.54 -0.07 -0.78 0.09 0.00 0.00 178.44 178.82 1q7y h ASP 68 N -0.28 -0.24 -0.24 -0.43 1.82 -1.95 -2.30 116.42 112.81 1q7y h ASP 68 Ca 0.01 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1q7y h ASP 68 Cb 0.50 0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.65 1q7y h ASP 68 CO 0.01 -0.09 0.00 0.29 -1.61 0.00 0.00 179.24 177.84 1q7y n LYS 69 N -5.22 2.01 -3.90 0.28 5.02 -1.25 -4.99 118.16 110.10 1q7y n LYS 69 Ca -0.02 -1.52 -0.39 0.00 -2.02 0.00 0.00 58.31 54.35 1q7y n LYS 69 Cb 0.14 -1.44 0.03 0.00 -0.02 0.00 0.00 35.03 33.74 1q7y n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q7y n ALA 70 N 0.75 -2.61 -2.79 7.82 0.00 -0.47 -4.99 120.51 118.22 1q7y n ALA 70 Ca 0.17 -0.44 -0.09 0.00 0.00 0.00 0.00 53.44 53.08 1q7y n ALA 70 Cb 0.43 -2.91 -0.06 0.00 0.00 0.00 0.00 19.45 16.91 1q7y n ALA 70 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1q7y s VAL 71 N -3.44 0.09 0.11 0.00 1.01 -0.62 -4.60 120.40 112.95 1q7y s VAL 71 Ca 0.43 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1q7y s VAL 71 Cb -0.21 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1q7y s VAL 71 CO 0.93 -0.41 -0.08 0.27 0.00 0.00 0.00 175.10 175.81 1q7y s ILE 72 N -3.88 0.85 -0.20 2.22 -4.36 -0.83 -1.11 121.20 113.89 1q7y s ILE 72 Ca 0.08 -1.95 -0.03 0.00 -0.26 0.00 0.00 60.65 58.49 1q7y s ILE 72 Cb 0.03 -1.71 -0.01 0.00 1.25 0.00 0.00 42.46 42.02 1q7y s ILE 72 CO -0.07 -0.81 -0.07 -1.00 0.24 0.00 0.00 174.94 173.22 1q7y s HIS 73 N -3.45 2.93 -0.10 1.37 3.76 0.39 -2.14 115.29 118.04 1q7y s HIS 73 Ca 0.13 -0.93 -0.01 0.00 -0.15 0.00 0.00 55.06 54.11 1q7y s HIS 73 Cb 0.04 -2.05 -0.03 0.00 1.11 0.00 0.00 32.58 31.66 1q7y s HIS 73 CO -0.03 -0.50 -0.06 0.08 -0.85 0.00 0.00 174.74 173.38 1q7y s VAL 74 N 1.25 3.72 0.20 -0.90 1.01 -1.26 0.36 120.40 124.77 1q7y s VAL 74 Ca 0.03 -0.45 -0.32 0.00 0.00 0.00 0.00 61.98 61.24 1q7y s VAL 74 Cb -0.14 -2.56 -0.15 0.00 0.00 0.00 0.00 36.38 33.53 1q7y s VAL 74 CO -0.03 0.56 1.19 1.21 0.00 0.00 0.00 175.10 178.04 1q7y n GLU 75 N 2.70 1.35 -0.67 2.72 2.13 0.66 -1.31 120.64 128.23 1q7y n GLU 75 Ca -0.18 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.12 1q7y n GLU 75 Cb 0.53 -1.99 0.00 0.00 0.27 0.00 0.00 31.44 30.24 1q7y n GLU 75 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1q7y n ASP 76 N 1.95 0.00 -4.42 4.31 8.00 -1.26 -4.59 116.55 120.54 1q7y n ASP 76 Ca 0.14 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.19 1q7y n ASP 76 Cb 0.27 -1.12 -0.01 0.00 -0.02 0.00 0.00 41.12 40.24 1q7y n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1q7y s VAL 77 N -2.52 5.25 0.45 2.53 1.01 -0.42 -4.98 120.40 121.72 1q7y s VAL 77 Ca 0.00 -2.63 0.03 0.00 0.00 0.00 0.00 61.98 59.38 1q7y s VAL 77 Cb 0.00 -4.78 -0.02 0.00 0.00 0.00 0.00 36.38 31.58 1q7y s VAL 77 CO 0.00 -1.45 0.10 0.42 0.00 0.00 0.00 175.10 174.16 1q7y s THR 78 N 1.00 0.72 0.01 3.92 -4.23 -1.26 -1.77 115.64 114.02 1q7y s THR 78 Ca 0.36 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.91 1q7y s THR 78 Cb -0.05 -2.24 -0.01 0.00 1.34 0.00 0.00 72.50 71.54 1q7y s THR 78 CO -0.04 0.00 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.15 1q7y s LEU 79 N -3.71 2.07 -0.83 4.79 1.43 0.28 -4.70 118.68 118.01 1q7y s LEU 79 Ca 0.16 -0.30 -0.26 0.00 -1.03 0.00 0.00 54.13 52.71 1q7y s LEU 79 Cb 0.02 -0.63 0.04 0.00 0.03 0.00 0.00 46.19 45.64 1q7y s LEU 79 CO 0.11 0.11 1.34 -0.70 0.23 0.00 0.00 176.35 177.44 1q7y s GLU 80 N -0.57 3.31 0.68 1.70 2.56 -1.26 -1.25 118.70 123.87 1q7y s GLU 80 Ca 0.04 -0.52 -0.11 0.00 0.00 0.00 0.00 54.97 54.37 1q7y s GLU 80 Cb -0.06 -4.56 0.18 0.00 2.00 0.00 0.00 34.13 31.69 1q7y s GLU 80 CO 0.00 -2.17 0.45 1.63 -0.56 0.00 0.00 175.26 174.60 1q7y n LYS 81 N 9.22 -3.08 -0.03 4.30 5.02 0.13 -4.89 118.16 128.83 1q7y n LYS 81 Ca 0.13 -0.74 -0.12 0.00 -2.02 0.00 0.00 58.31 55.55 1q7y n LYS 81 Cb 0.50 -0.89 -0.10 0.00 -0.02 0.00 0.00 35.03 34.52 1q7y n LYS 81 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1q7y h THR 82 N -2.63 1.41 0.00 -0.18 2.02 -1.95 -3.18 112.91 108.40 1q7y h THR 82 Ca -0.19 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.30 1q7y h THR 82 Cb 0.63 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 1q7y h THR 82 CO 0.12 0.41 0.00 -0.90 0.37 0.00 0.00 175.52 175.52 1q7y n ASP 83 N -4.75 0.00 0.00 4.18 5.68 -1.26 -4.71 116.55 115.69 1q7y n ASP 83 Ca -0.09 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.20 1q7y n ASP 83 Cb 0.35 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 1q7y n ASP 83 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1q7y n GLY 84 N -0.97 0.74 3.79 6.12 0.00 -1.20 -5.04 105.19 108.62 1q7y n GLY 84 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1q7y n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1q7y s GLU 85 N -0.52 3.82 -0.20 1.61 2.12 -1.26 -4.74 118.70 119.52 1q7y s GLU 85 Ca 0.00 1.45 -0.06 0.00 0.36 0.00 0.00 54.97 56.72 1q7y s GLU 85 Cb 0.00 -2.20 -0.03 0.00 0.26 0.00 0.00 34.13 32.16 1q7y s GLU 85 CO 0.00 -0.43 0.03 -2.00 -0.54 0.00 0.00 175.26 172.32 1q7y s GLU 86 N -3.05 3.70 0.03 4.30 2.12 -1.26 0.17 118.70 124.71 1q7y s GLU 86 Ca 0.66 -0.48 0.04 0.00 0.36 0.00 0.00 54.97 55.55 1q7y s GLU 86 Cb -0.19 -3.15 -0.02 0.00 0.26 0.00 0.00 34.13 31.03 1q7y s GLU 86 CO 0.23 0.04 -0.13 0.14 -0.54 0.00 0.00 175.26 175.00 1q7y s VAL 87 N 0.97 1.01 0.27 3.70 -7.23 -0.38 -4.90 120.40 113.84 1q7y s VAL 87 Ca 0.02 -0.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.96 1q7y s VAL 87 Cb -0.14 -0.92 -0.13 0.00 0.56 0.00 0.00 36.38 35.75 1q7y s VAL 87 CO 0.02 -0.01 1.45 -0.81 -0.31 0.00 0.00 175.10 175.45 1q7y n PRO 88 N 1.97 2.28 -3.51 4.82 -0.04 -1.26 1.00 135.00 140.26 1q7y n PRO 88 Ca -0.18 0.81 -0.42 0.00 -0.04 0.00 0.00 63.50 63.67 1q7y n PRO 88 Cb 0.55 -2.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.41 1q7y n PRO 88 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1q7y s ARG 89 N -0.69 2.90 0.24 0.54 6.06 -0.73 -4.74 118.95 122.53 1q7y s ARG 89 Ca 0.65 -1.10 -0.31 0.00 -2.50 0.00 0.00 55.73 52.46 1q7y s ARG 89 Cb -0.58 -3.90 -0.13 0.00 0.06 0.00 0.00 34.95 30.39 1q7y s ARG 89 CO 0.51 -0.78 1.38 -2.30 -2.50 0.00 0.00 175.30 171.62 1q7y n PRO 90 N 5.10 1.97 -4.43 5.12 -0.02 -1.26 -4.78 135.00 136.71 1q7y n PRO 90 Ca -0.11 0.70 -0.25 0.00 -2.02 0.00 0.00 63.50 61.82 1q7y n PRO 90 Cb 0.46 -2.34 -0.11 0.00 -0.02 0.00 0.00 33.50 31.49 1q7y n PRO 90 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1q7y s LEU 91 N 0.09 2.48 -0.30 2.45 1.43 -0.91 -4.95 118.68 118.98 1q7y s LEU 91 Ca 0.68 -0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 1q7y s LEU 91 Cb -0.66 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 1q7y s LEU 91 CO 0.50 0.07 0.20 -0.62 0.23 0.00 0.00 176.35 176.74 1q7y s ASP 92 N -2.94 5.98 0.16 2.29 -1.08 -1.26 -1.96 116.67 117.85 1q7y s ASP 92 Ca 0.23 -0.19 0.03 0.00 -0.52 0.00 0.00 52.55 52.11 1q7y s ASP 92 Cb -0.07 -2.11 0.17 0.00 -1.46 0.00 0.00 42.92 39.45 1q7y s ASP 92 CO 0.11 -0.12 0.82 0.35 0.52 0.00 0.00 175.17 176.85 1q7y n THR 93 N 5.07 0.44 1.44 1.71 -2.24 -1.26 0.48 114.28 119.91 1q7y n THR 93 Ca -0.14 0.62 0.14 0.00 -2.27 0.00 0.00 64.05 62.41 1q7y n THR 93 Cb 0.51 -1.62 0.66 0.00 -2.10 0.00 0.00 70.33 67.78 1q7y n THR 93 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1q7y n SER 94 N -1.50 0.35 -0.30 3.42 2.88 -1.26 -3.31 113.62 113.91 1q7y n SER 94 Ca -0.00 -0.50 0.04 0.00 -1.33 0.00 0.00 58.87 57.07 1q7y n SER 94 Cb 0.45 -0.12 0.09 0.00 -0.75 0.00 0.00 64.21 63.88 1q7y n SER 94 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1q7y n ASN 95 N -1.03 2.51 -4.47 -3.46 3.02 0.18 -4.97 115.26 107.04 1q7y n ASN 95 Ca 0.15 -2.21 -0.28 0.00 -0.03 0.00 0.00 54.58 52.21 1q7y n ASN 95 Cb 0.26 -0.17 -0.11 0.00 -0.61 0.00 0.00 39.78 39.15 1q7y n ASN 95 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1q7y s VAL 96 N -1.37 2.68 -0.05 2.41 1.01 -1.21 0.12 120.40 123.99 1q7y s VAL 96 Ca 0.15 -1.78 0.01 0.00 0.00 0.00 0.00 61.98 60.36 1q7y s VAL 96 Cb 0.10 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 34.23 1q7y s VAL 96 CO 0.06 -0.04 -0.07 -0.60 0.00 0.00 0.00 175.10 174.45 1q7y s ARG 97 N -2.53 1.16 -0.03 2.72 3.52 0.77 -3.74 118.95 120.81 1q7y s ARG 97 Ca 0.20 -0.22 -0.30 0.00 -0.13 0.00 0.00 55.73 55.29 1q7y s ARG 97 Cb -0.09 -1.06 -0.03 0.00 -1.56 0.00 0.00 34.95 32.22 1q7y s ARG 97 CO 0.11 -0.04 1.05 0.08 -0.81 0.00 0.00 175.30 175.68 1q7y s VAL 98 N 0.84 4.65 -0.02 7.11 1.01 -0.91 0.20 120.40 133.29 1q7y s VAL 98 Ca -0.12 1.91 0.06 0.00 0.00 0.00 0.00 61.98 63.83 1q7y s VAL 98 Cb -0.15 -4.23 -0.10 0.00 0.00 0.00 0.00 36.38 31.91 1q7y s VAL 98 CO 0.01 0.08 0.12 0.35 0.00 0.00 0.00 175.10 175.67 1q7y n THR 99 N 4.21 0.06 -3.89 3.92 -2.24 -0.83 -2.15 114.28 113.36 1q7y n THR 99 Ca 0.08 -0.16 -0.11 0.00 -2.27 0.00 0.00 64.05 61.59 1q7y n THR 99 Cb 0.49 0.17 -0.11 0.00 -2.10 0.00 0.00 70.33 68.78 1q7y n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1q7y s ASP 100 N -2.89 0.04 0.15 3.42 -1.08 -1.17 -4.96 116.67 110.17 1q7y s ASP 100 Ca -0.02 -0.18 0.09 0.00 -0.52 0.00 0.00 52.55 51.91 1q7y s ASP 100 Cb 0.04 0.19 -0.04 0.00 -1.46 0.00 0.00 42.92 41.65 1q7y s ASP 100 CO 0.26 -0.30 -0.14 -0.76 0.52 0.00 0.00 175.17 174.75 1q7y s LEU 101 N -1.14 2.83 -0.37 -1.34 1.43 -1.26 -1.88 118.68 116.95 1q7y s LEU 101 Ca -0.12 -0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 52.32 1q7y s LEU 101 Cb -0.07 -1.60 0.04 0.00 0.03 0.00 0.00 46.19 44.60 1q7y s LEU 101 CO 0.01 0.14 0.19 -0.62 0.23 0.00 0.00 176.35 176.30 1q7y s ASP 102 N -2.46 5.58 -0.27 2.29 -1.08 -1.26 -4.87 116.67 114.59 1q7y s ASP 102 Ca 0.21 -1.17 0.11 0.00 -0.52 0.00 0.00 52.55 51.18 1q7y s ASP 102 Cb -0.10 -1.96 0.52 0.00 -1.46 0.00 0.00 42.92 39.91 1q7y s ASP 102 CO 0.13 -0.41 1.47 0.18 0.52 0.00 0.00 175.17 177.06 1q7y n LEU 103 N 4.92 4.16 0.00 -1.34 4.77 -1.26 -4.69 117.00 123.56 1q7y n LEU 103 Ca -0.11 -3.59 0.01 0.00 -0.03 0.00 0.00 56.01 52.28 1q7y n LEU 103 Cb 0.45 -0.62 0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1q7y n LEU 103 CO 0.35 1.11 0.51 -0.62 -1.33 0.00 0.00 177.39 177.41 1q7y n GLU 104 N -0.99 0.00 -3.65 3.23 1.02 -1.26 -4.43 120.64 114.56 1q7y n GLU 104 Ca 0.31 0.45 -0.37 0.00 -0.02 0.00 0.00 57.16 57.53 1q7y n GLU 104 Cb 1.03 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.84 1q7y n GLU 104 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1q7y s ASP 105 N -2.94 5.90 0.16 1.62 -1.08 -1.26 -4.96 116.67 114.10 1q7y s ASP 105 Ca 0.01 -0.01 -0.15 0.00 -0.52 0.00 0.00 52.55 51.88 1q7y s ASP 105 Cb 0.01 -2.08 0.03 0.00 -1.46 0.00 0.00 42.92 39.42 1q7y s ASP 105 CO 0.02 -0.01 1.80 -0.33 0.52 0.00 0.00 175.17 177.17 1q7y h GLU 106 N 8.09 0.61 -0.34 4.34 5.08 -1.99 -1.61 114.58 128.76 1q7y h GLU 106 Ca -0.36 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 57.97 1q7y h GLU 106 Cb 1.18 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1q7y h GLU 106 CO 0.58 0.44 0.15 0.87 -1.00 0.00 0.00 179.01 180.06 1q7y h LYS 107 N 0.61 0.31 0.30 2.33 1.57 -1.94 0.68 116.57 120.43 1q7y h LYS 107 Ca 0.16 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1q7y h LYS 107 Cb -0.02 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1q7y h LYS 107 CO -0.03 0.21 -0.14 -0.09 -0.57 0.00 0.00 179.45 178.82 1q7y h ARG 108 N 0.32 -0.38 -0.28 3.15 2.43 -1.90 -1.19 114.38 116.54 1q7y h ARG 108 Ca 0.15 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1q7y h ARG 108 Cb 0.08 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1q7y h ARG 108 CO -0.12 -0.14 0.13 1.49 -1.51 0.00 0.00 179.97 179.82 1q7y h GLU 109 N -0.58 0.38 0.51 0.20 4.81 -1.16 -0.05 114.58 118.69 1q7y h GLU 109 Ca -0.04 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1q7y h GLU 109 Cb 0.42 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1q7y h GLU 109 CO 0.07 0.31 -0.38 0.00 -0.73 0.00 0.00 179.01 178.27 1q7y h ALA 110 N 1.76 -1.13 -0.79 2.92 0.00 0.69 -1.96 119.26 120.74 1q7y h ALA 110 Ca 0.10 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 54.97 1q7y h ALA 110 Cb 0.05 0.55 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 1q7y h ALA 110 CO -0.01 -1.12 0.38 0.00 0.00 0.00 0.00 179.25 178.50 1q7y h ARG 111 N -0.85 0.56 0.37 0.00 3.08 -0.64 -1.57 114.38 115.32 1q7y h ARG 111 Ca -0.07 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1q7y h ARG 111 Cb 0.71 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1q7y h ARG 111 CO 0.02 0.37 -0.29 -0.07 -1.07 0.00 0.00 179.97 178.93 1q7y h LEU 112 N 0.57 -0.76 -0.04 3.04 3.38 -0.89 -3.22 115.31 117.40 1q7y h LEU 112 Ca 0.42 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.45 1q7y h LEU 112 Cb 0.58 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1q7y h LEU 112 CO -0.35 -0.44 0.02 -0.33 0.09 0.00 0.00 178.44 177.43 1q7y h GLU 113 N -0.66 0.05 -6.36 1.13 5.08 -1.03 -3.45 114.58 109.34 1q7y h GLU 113 Ca -0.03 -0.01 -0.51 0.00 -1.00 0.00 0.00 59.36 57.81 1q7y h GLU 113 Cb 0.58 -0.01 0.24 0.00 0.50 0.00 0.00 28.75 30.05 1q7y h GLU 113 CO -0.01 0.19 -1.56 -1.13 -1.00 0.00 0.00 179.01 175.50 1q7y n SER 114 N -4.98 -3.44 -0.34 1.42 3.41 -0.62 -4.90 113.62 104.17 1q7y n SER 114 Ca -0.07 0.10 0.04 0.00 -0.26 0.00 0.00 58.87 58.68 1q7y n SER 114 Cb 0.10 -0.86 0.05 0.00 -0.26 0.00 0.00 64.21 63.24 1q7y n SER 114 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1q7y n GLU 115 N 0.32 0.63 0.00 4.33 0.28 -1.26 -4.58 120.64 120.36 1q7y n GLU 115 Ca 0.01 -1.15 0.07 0.00 -0.16 0.00 0.00 57.16 55.93 1q7y n GLU 115 Cb 0.62 -1.16 0.00 0.00 1.43 0.00 0.00 31.44 32.33 1q7y n GLU 115 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1q7y n ASP 116 N 0.41 1.48 -4.00 -1.84 8.00 -1.26 -5.00 116.55 114.33 1q7y n ASP 116 Ca 0.05 -1.24 -0.08 0.00 0.71 0.00 0.00 54.79 54.23 1q7y n ASP 116 Cb 0.23 0.44 -0.10 0.00 -0.02 0.00 0.00 41.12 41.67 1q7y n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1q7y s ASP 117 N -1.61 0.32 0.04 -2.24 -1.08 -1.26 -5.17 116.67 105.67 1q7y s ASP 117 Ca 0.11 -0.73 0.07 0.00 -0.52 0.00 0.00 52.55 51.49 1q7y s ASP 117 Cb 0.11 0.19 -0.02 0.00 -1.46 0.00 0.00 42.92 41.73 1q7y s ASP 117 CO 0.32 -0.51 -0.21 -0.94 0.52 0.00 0.00 175.17 174.35 1q7y s SER 118 N -2.34 2.54 0.00 -0.34 1.04 -1.26 -4.73 113.70 108.61 1q7y s SER 118 Ca -0.02 -0.52 0.15 0.00 0.48 0.00 0.00 55.95 56.03 1q7y s SER 118 Cb 0.01 -0.22 0.12 0.00 0.10 0.00 0.00 66.02 66.03 1q7y s SER 118 CO -0.06 0.17 0.97 0.00 0.98 0.00 0.00 173.24 175.30