#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2doc s SER 2 N 0.00 -0.39 0.47 1.61 0.01 -1.26 -5.19 113.70 108.95 2doc s SER 2 Ca 0.00 -0.27 0.04 0.00 1.31 0.00 0.00 55.95 57.03 2doc s SER 2 Cb 0.00 0.60 -0.04 0.00 0.21 0.00 0.00 66.02 66.80 2doc s SER 2 CO 0.00 -1.05 0.06 -0.94 0.41 0.00 0.00 173.24 171.72 2doc s SER 3 N -2.82 4.11 0.30 2.44 1.04 -1.26 -5.07 113.70 112.45 2doc s SER 3 Ca 0.05 -1.46 0.00 0.00 0.48 0.00 0.00 55.95 55.02 2doc s SER 3 Cb -0.02 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.18 2doc s SER 3 CO -0.07 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.07 2doc n GLY 4 N -1.20 -1.08 3.67 7.32 0.00 -1.26 -4.73 105.19 107.92 2doc n GLY 4 Ca -0.11 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 2doc n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2doc s SER 5 N -4.00 7.07 -0.01 1.61 1.04 -1.26 -5.00 113.70 113.14 2doc s SER 5 Ca 0.00 1.59 -0.27 0.00 0.48 0.00 0.00 55.95 57.74 2doc s SER 5 Cb 0.00 -2.55 0.06 0.00 0.10 0.00 0.00 66.02 63.64 2doc s SER 5 CO 0.00 -0.64 0.61 -0.44 0.98 0.00 0.00 173.24 173.75 2doc s SER 6 N 1.47 -0.57 0.00 7.02 0.01 -1.26 -5.05 113.70 115.32 2doc s SER 6 Ca 0.50 0.52 0.00 0.00 1.31 0.00 0.00 55.95 58.28 2doc s SER 6 Cb -0.19 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2doc s SER 6 CO 0.14 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.76 2doc n GLY 7 N 0.76 0.48 2.54 3.44 0.00 -1.26 -4.98 105.19 106.17 2doc n GLY 7 Ca -0.19 0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 2doc n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2doc n GLN 8 N 0.00 2.44 -0.40 1.61 1.13 -1.26 -4.29 117.38 116.61 2doc n GLN 8 Ca 0.00 -2.55 0.07 0.00 -1.94 0.00 0.00 57.00 52.58 2doc n GLN 8 Cb 0.00 -2.15 0.15 0.00 0.11 0.00 0.00 30.24 28.35 2doc n GLN 8 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2doc n GLU 9 N 0.55 1.22 0.13 -1.09 1.02 -1.26 -4.55 120.64 116.66 2doc n GLU 9 Ca 0.49 -2.71 -0.11 0.00 -0.02 0.00 0.00 57.16 54.81 2doc n GLU 9 Cb 0.49 -1.38 -0.07 0.00 -0.02 0.00 0.00 31.44 30.47 2doc n GLU 9 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 2doc h TYR 10 N 0.46 -0.37 0.00 -0.32 -0.00 -2.00 -3.39 116.97 111.35 2doc h TYR 10 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.71 2doc h TYR 10 Cb 1.09 0.12 0.00 0.00 0.00 0.00 0.00 36.73 37.94 2doc h TYR 10 CO 0.32 -0.02 -0.86 -0.89 -0.00 0.00 0.00 178.16 176.71 2doc n ILE 11 N -5.06 0.00 0.23 -0.90 5.41 -1.26 -4.54 119.36 113.24 2doc n ILE 11 Ca -0.08 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.76 2doc n ILE 11 Cb 0.26 -0.53 0.50 0.00 -0.71 0.00 0.00 39.64 39.16 2doc n ILE 11 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2doc h LEU 12 N 0.00 0.00 0.03 1.39 3.38 -1.84 0.47 115.31 118.73 2doc h LEU 12 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2doc h LEU 12 Cb 0.86 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 2doc h LEU 12 CO 0.00 0.00 -2.01 0.00 0.09 0.00 0.00 178.44 176.52 2doc n ALA 13 N -1.67 1.35 -0.66 1.53 0.00 -1.26 -4.13 120.51 115.66 2doc n ALA 13 Ca -0.01 -0.89 0.01 0.00 0.00 0.00 0.00 53.44 52.55 2doc n ALA 13 Cb 0.38 -0.58 0.31 0.00 0.00 0.00 0.00 19.45 19.56 2doc n ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2doc n LEU 14 N -3.10 5.25 -4.83 0.00 4.77 0.15 -4.96 117.00 114.27 2doc n LEU 14 Ca -0.27 -2.69 -0.30 0.00 -0.03 0.00 0.00 56.01 52.72 2doc n LEU 14 Cb 1.07 -0.68 0.08 0.00 -2.33 0.00 0.00 43.42 41.56 2doc n LEU 14 CO 0.42 0.64 0.73 0.00 -1.33 0.00 0.00 177.39 177.85 2doc s ALA 15 N -2.56 2.40 0.24 -1.18 0.00 -0.34 -5.04 121.76 115.29 2doc s ALA 15 Ca 0.47 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.10 2doc s ALA 15 Cb 0.36 -3.06 -0.00 0.00 0.00 0.00 0.00 23.12 20.42 2doc s ALA 15 CO 0.13 -1.64 0.03 -0.25 0.00 0.00 0.00 175.76 174.03 2doc n ASP 16 N -3.35 2.11 -4.88 0.00 8.00 -1.23 -5.03 116.55 112.17 2doc n ASP 16 Ca 0.07 -2.11 -0.30 0.00 0.71 0.00 0.00 54.79 53.16 2doc n ASP 16 Cb 0.57 0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.95 2doc n ASP 16 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2doc s VAL 17 N -2.06 4.84 0.60 2.53 -7.23 -1.26 -4.07 120.40 113.75 2doc s VAL 17 Ca 0.04 0.50 -0.17 0.00 -1.81 0.00 0.00 61.98 60.54 2doc s VAL 17 Cb 0.00 -3.73 -0.03 0.00 0.56 0.00 0.00 36.38 33.18 2doc s VAL 17 CO 0.03 -0.47 1.12 -2.16 -0.31 0.00 0.00 175.10 173.30 2doc s PRO 18 N -3.78 3.07 0.76 4.82 0.04 -1.26 -3.77 135.00 134.89 2doc s PRO 18 Ca 0.50 1.50 -0.12 0.00 0.04 0.00 0.00 61.00 62.92 2doc s PRO 18 Cb -0.10 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.51 2doc s PRO 18 CO 0.31 -1.05 1.11 0.45 0.04 0.00 0.00 177.00 177.86 2doc s SER 19 N -2.19 4.90 0.40 6.66 0.15 -1.19 -4.20 113.70 118.23 2doc s SER 19 Ca 0.70 1.12 -0.26 0.00 0.70 0.00 0.00 55.95 58.21 2doc s SER 19 Cb -0.22 -1.83 -0.09 0.00 -1.71 0.00 0.00 66.02 62.17 2doc s SER 19 CO 0.34 -1.69 1.25 -0.94 1.20 0.00 0.00 173.24 173.40 2doc s SER 20 N -4.24 6.44 1.25 5.45 1.04 -1.26 -4.59 113.70 117.79 2doc s SER 20 Ca 0.60 2.53 -0.21 0.00 0.48 0.00 0.00 55.95 59.35 2doc s SER 20 Cb -0.12 -2.63 0.31 0.00 0.10 0.00 0.00 66.02 63.68 2doc s SER 20 CO 0.52 -0.75 1.11 -2.16 0.98 0.00 0.00 173.24 172.95 2doc s PRO 21 N -2.21 -1.64 0.36 4.02 0.04 -1.26 -4.47 135.00 129.83 2doc s PRO 21 Ca 0.56 -0.21 -0.05 0.00 0.04 0.00 0.00 61.00 61.34 2doc s PRO 21 Cb -0.35 -1.56 0.01 0.00 0.04 0.00 0.00 34.50 32.64 2doc s PRO 21 CO 0.45 -3.96 0.54 1.52 0.04 0.00 0.00 177.00 175.59 2doc s TYR 22 N -3.02 0.88 0.00 0.56 1.13 -1.17 -4.83 117.35 110.91 2doc s TYR 22 Ca 0.72 -1.20 0.00 0.00 -1.41 0.00 0.00 57.07 55.18 2doc s TYR 22 Cb -0.07 0.11 0.00 0.00 -1.10 0.00 0.00 41.96 40.89 2doc s TYR 22 CO 0.56 -1.23 0.00 0.41 -2.51 0.00 0.00 175.55 172.77 2doc n GLY 23 N -0.56 0.30 3.68 5.49 0.00 -1.26 -0.27 105.19 112.56 2doc n GLY 23 Ca -0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.55 2doc n GLY 23 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2doc n VAL 24 N -2.11 0.35 -3.54 1.61 3.14 -1.26 -4.48 118.33 112.05 2doc n VAL 24 Ca 0.00 -0.06 -0.16 0.00 -2.96 0.00 0.00 64.34 61.16 2doc n VAL 24 Cb 0.10 -1.87 -0.06 0.00 -1.06 0.00 0.00 33.84 30.95 2doc n VAL 24 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 2doc s LYS 25 N 2.73 0.93 -0.47 1.45 0.00 0.12 -4.95 119.74 119.55 2doc s LYS 25 Ca 0.85 0.23 -0.25 0.00 0.00 0.00 0.00 55.97 56.81 2doc s LYS 25 Cb -0.61 0.44 0.03 0.00 0.00 0.00 0.00 37.83 37.69 2doc s LYS 25 CO 0.43 -0.29 0.89 0.42 0.00 0.00 0.00 175.35 176.80 2doc s ILE 26 N -1.16 4.50 -0.07 3.79 -1.09 -1.26 -0.50 121.20 125.42 2doc s ILE 26 Ca -0.08 0.57 -0.13 0.00 -2.23 0.00 0.00 60.65 58.78 2doc s ILE 26 Cb -0.00 -4.42 -0.30 0.00 -1.58 0.00 0.00 42.46 36.16 2doc s ILE 26 CO 0.08 -0.86 0.64 0.16 -1.23 0.00 0.00 174.94 173.73 2doc h ILE 27 N 6.05 0.98 -3.63 2.92 3.07 -1.89 -3.43 117.51 121.58 2doc h ILE 27 Ca -0.25 -2.47 -0.65 0.00 1.55 0.00 0.00 64.86 63.03 2doc h ILE 27 Cb 1.08 2.76 -0.40 0.00 -0.27 0.00 0.00 36.82 39.99 2doc h ILE 27 CO 1.02 0.81 -0.71 -1.61 -1.05 0.00 0.00 178.15 176.61 2doc s GLU 28 N -2.54 1.53 -0.13 0.16 2.02 -1.25 -5.04 118.70 113.44 2doc s GLU 28 Ca -0.17 -1.97 -0.05 0.00 0.02 0.00 0.00 54.97 52.80 2doc s GLU 28 Cb 0.05 -3.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.05 2doc s GLU 28 CO 0.83 -0.97 0.04 -1.17 0.02 0.00 0.00 175.26 174.01 2doc s LEU 29 N 0.74 3.74 0.51 1.80 2.96 -1.26 -0.13 118.68 127.03 2doc s LEU 29 Ca 0.12 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 2doc s LEU 29 Cb -0.20 -1.90 -0.00 0.00 0.50 0.00 0.00 46.19 44.58 2doc s LEU 29 CO -0.07 0.28 0.03 -0.44 -1.32 0.00 0.00 176.35 174.83 2doc s SER 30 N -0.30 3.93 0.41 3.68 0.01 0.38 -4.82 113.70 116.99 2doc s SER 30 Ca 0.08 -1.71 0.24 0.00 1.31 0.00 0.00 55.95 55.87 2doc s SER 30 Cb -0.12 0.67 0.49 0.00 0.21 0.00 0.00 66.02 67.27 2doc s SER 30 CO 0.02 -0.94 1.66 0.06 0.41 0.00 0.00 173.24 174.45 2doc h GLN 31 N 1.36 0.00 0.00 12.44 -0.00 -1.91 -2.27 115.11 124.74 2doc h GLN 31 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.23 2doc h GLN 31 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.80 2doc h GLN 31 CO 0.69 0.00 -0.75 0.25 -0.00 0.00 0.00 178.83 179.03 2doc n THR 32 N -2.97 0.00 -3.93 1.86 -2.24 -1.26 -2.34 114.28 103.39 2doc n THR 32 Ca 0.04 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.59 2doc n THR 32 Cb 0.50 -0.66 -0.06 0.00 -2.10 0.00 0.00 70.33 68.01 2doc n THR 32 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2doc s THR 33 N -1.75 2.70 -0.27 4.28 -4.23 -1.26 -2.54 115.64 112.58 2doc s THR 33 Ca 0.00 -1.57 -0.06 0.00 -1.18 0.00 0.00 61.69 58.88 2doc s THR 33 Cb 0.00 -3.01 0.14 0.00 1.34 0.00 0.00 72.50 70.97 2doc s THR 33 CO 0.00 -0.07 0.55 0.00 -0.54 0.00 0.00 174.62 174.56 2doc s ALA 34 N -2.49 -1.77 -0.14 3.99 0.00 -0.75 -0.47 121.76 120.14 2doc s ALA 34 Ca 0.42 1.82 -0.20 0.00 0.00 0.00 0.00 51.96 54.00 2doc s ALA 34 Cb -0.01 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 2doc s ALA 34 CO 0.24 -1.05 0.56 0.21 0.00 0.00 0.00 175.76 175.73 2doc s LYS 35 N 2.77 4.31 -0.27 0.00 2.20 0.81 -0.41 119.74 129.15 2doc s LYS 35 Ca 0.05 0.57 -0.02 0.00 -0.36 0.00 0.00 55.97 56.20 2doc s LYS 35 Cb -0.13 -3.49 0.03 0.00 -1.51 0.00 0.00 37.83 32.73 2doc s LYS 35 CO -0.18 -0.00 -0.03 0.54 -0.36 0.00 0.00 175.35 175.33 2doc s VAL 36 N 1.12 3.03 -0.18 4.02 0.11 -0.36 -3.07 120.40 125.07 2doc s VAL 36 Ca 0.29 -1.11 -0.05 0.00 -2.93 0.00 0.00 61.98 58.18 2doc s VAL 36 Cb -0.16 -2.61 -0.03 0.00 -1.53 0.00 0.00 36.38 32.06 2doc s VAL 36 CO 0.12 0.09 -0.01 -0.55 -3.33 0.00 0.00 175.10 171.41 2doc s SER 37 N 1.32 4.90 0.31 3.54 0.15 0.34 -2.79 113.70 121.47 2doc s SER 37 Ca -0.01 -0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.53 2doc s SER 37 Cb -0.18 -1.82 -0.04 0.00 -1.71 0.00 0.00 66.02 62.27 2doc s SER 37 CO -0.03 0.12 0.14 0.72 1.20 0.00 0.00 173.24 175.40 2doc s PHE 38 N 0.64 1.62 0.13 3.44 -0.71 -0.75 0.14 117.98 122.50 2doc s PHE 38 Ca -0.01 -1.31 0.08 0.00 -1.04 0.00 0.00 56.93 54.65 2doc s PHE 38 Cb -0.14 -0.91 -0.04 0.00 -1.21 0.00 0.00 43.02 40.72 2doc s PHE 38 CO 0.02 -0.44 -0.09 -0.80 -1.34 0.00 0.00 175.22 172.56 2doc s ASN 39 N -3.39 4.36 0.85 1.98 0.01 0.63 -4.75 114.94 114.63 2doc s ASN 39 Ca 0.35 -0.45 -0.15 0.00 -0.71 0.00 0.00 52.86 51.90 2doc s ASN 39 Cb 0.05 -0.80 -0.02 0.00 0.41 0.00 0.00 41.25 40.89 2doc s ASN 39 CO 0.16 0.15 0.32 0.29 -1.51 0.00 0.00 177.10 176.51 2doc n LYS 40 N 0.43 -0.00 -2.25 -0.60 5.02 -1.26 -3.06 118.16 116.43 2doc n LYS 40 Ca -0.12 0.04 -0.40 0.00 -2.02 0.00 0.00 58.31 55.80 2doc n LYS 40 Cb 0.53 -1.74 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 2doc n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2doc s PRO 41 N -3.03 4.45 0.57 1.97 0.04 -1.26 -4.37 135.00 133.38 2doc s PRO 41 Ca 0.59 2.05 0.19 0.00 0.04 0.00 0.00 61.00 63.87 2doc s PRO 41 Cb -0.27 -3.10 1.03 0.00 0.04 0.00 0.00 34.50 32.20 2doc s PRO 41 CO 0.65 -0.05 1.54 0.38 0.04 0.00 0.00 177.00 179.57 2doc h ASP 42 N 3.51 0.00 -5.03 6.66 2.03 -1.88 -3.41 116.42 118.29 2doc h ASP 42 Ca -0.48 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.81 2doc h ASP 42 Cb 1.22 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.61 2doc h ASP 42 CO 0.66 0.00 0.14 -0.44 -1.03 0.00 0.00 179.24 178.56 2doc s SER 43 N -3.83 -0.41 0.19 4.15 0.01 -1.26 -5.11 113.70 107.45 2doc s SER 43 Ca -0.02 -0.23 0.11 0.00 1.31 0.00 0.00 55.95 57.12 2doc s SER 43 Cb 0.05 0.60 -0.04 0.00 0.21 0.00 0.00 66.02 66.84 2doc s SER 43 CO 0.17 -1.03 -0.22 -1.38 0.41 0.00 0.00 173.24 171.19 2doc s HIS 44 N -3.81 2.34 -0.76 2.43 -3.43 -1.26 -3.18 115.29 107.63 2doc s HIS 44 Ca 0.04 -0.34 -0.07 0.00 -0.80 0.00 0.00 55.06 53.89 2doc s HIS 44 Cb -0.01 -1.16 -0.14 0.00 -1.43 0.00 0.00 32.58 29.84 2doc s HIS 44 CO -0.08 0.51 2.87 0.41 -2.00 0.00 0.00 174.74 176.45 2doc n GLY 45 N 0.22 3.32 5.00 -1.38 0.00 -1.25 -4.71 105.19 106.40 2doc n GLY 45 Ca -0.12 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2doc n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2doc n GLY 46 N 3.17 1.10 3.85 -0.02 0.00 -1.26 -3.58 105.19 108.46 2doc n GLY 46 Ca 0.53 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 46.22 2doc n GLY 46 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2doc s VAL 47 N 0.00 4.63 0.03 1.61 -7.23 -1.26 -5.02 120.40 113.17 2doc s VAL 47 Ca 0.00 0.99 -0.30 0.00 -1.81 0.00 0.00 61.98 60.85 2doc s VAL 47 Cb 0.00 -3.72 -0.06 0.00 0.56 0.00 0.00 36.38 33.15 2doc s VAL 47 CO 0.00 -0.62 1.42 -2.16 -0.31 0.00 0.00 175.10 173.43 2doc s PRO 48 N -3.98 4.28 0.42 4.82 0.04 -1.26 -4.94 135.00 134.38 2doc s PRO 48 Ca 0.56 2.03 -0.24 0.00 0.04 0.00 0.00 61.00 63.38 2doc s PRO 48 Cb -0.10 -3.50 -0.10 0.00 0.04 0.00 0.00 34.50 30.84 2doc s PRO 48 CO 0.31 -0.56 1.06 -0.89 0.04 0.00 0.00 177.00 176.96 2doc n ILE 49 N 4.50 2.49 -0.13 0.56 5.41 -1.26 -4.66 119.36 126.26 2doc n ILE 49 Ca 0.13 -0.50 -0.28 0.00 1.00 0.00 0.00 62.75 63.10 2doc n ILE 49 Cb 0.43 -1.23 -0.10 0.00 -0.71 0.00 0.00 39.64 38.03 2doc n ILE 49 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 2doc n HIS 50 N -0.45 0.13 -3.85 1.39 -0.00 -1.10 -4.95 115.22 106.39 2doc n HIS 50 Ca 0.09 0.05 -0.09 0.00 0.46 0.00 0.00 57.72 58.24 2doc n HIS 50 Cb 0.39 -1.01 0.00 0.00 -0.12 0.00 0.00 29.99 29.25 2doc n HIS 50 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2doc s HIS 51 N -2.50 0.10 -0.06 1.57 -3.43 -1.03 -3.86 115.29 106.08 2doc s HIS 51 Ca -0.37 -0.66 0.03 0.00 -0.80 0.00 0.00 55.06 53.26 2doc s HIS 51 Cb 0.13 0.70 -0.02 0.00 -1.43 0.00 0.00 32.58 31.96 2doc s HIS 51 CO 0.52 -1.41 -0.15 0.71 -2.00 0.00 0.00 174.74 172.41 2doc s TYR 52 N -2.97 2.71 -0.32 0.38 1.51 -1.26 -1.70 117.35 115.70 2doc s TYR 52 Ca 0.15 -0.28 -0.12 0.00 -1.01 0.00 0.00 57.07 55.82 2doc s TYR 52 Cb -0.05 -1.67 -0.02 0.00 -0.11 0.00 0.00 41.96 40.11 2doc s TYR 52 CO 0.10 0.09 0.21 -1.14 -1.11 0.00 0.00 175.55 173.70 2doc s GLN 53 N -0.50 3.58 -0.13 -0.62 0.74 -0.84 -4.07 119.66 117.84 2doc s GLN 53 Ca 0.06 -0.57 -0.02 0.00 0.05 0.00 0.00 55.36 54.88 2doc s GLN 53 Cb -0.12 -3.72 -0.03 0.00 1.10 0.00 0.00 33.01 30.25 2doc s GLN 53 CO 0.02 -0.37 -0.05 0.08 -0.55 0.00 0.00 175.29 174.42 2doc s VAL 54 N 1.71 3.84 -0.20 1.34 1.01 -1.22 -2.35 120.40 124.54 2doc s VAL 54 Ca 0.06 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2doc s VAL 54 Cb -0.17 -2.65 0.05 0.00 0.00 0.00 0.00 36.38 33.61 2doc s VAL 54 CO 0.10 0.53 -0.07 -0.62 0.00 0.00 0.00 175.10 175.04 2doc s ASP 55 N -0.03 3.32 0.10 3.32 2.15 -1.10 -1.26 116.67 123.17 2doc s ASP 55 Ca 0.01 -0.89 0.10 0.00 0.43 0.00 0.00 52.55 52.20 2doc s ASP 55 Cb -0.13 -1.10 -0.04 0.00 -0.30 0.00 0.00 42.92 41.35 2doc s ASP 55 CO 0.03 -0.18 -0.25 0.54 -0.17 0.00 0.00 175.17 175.13 2doc s VAL 56 N 1.48 2.33 -0.13 1.11 0.11 -0.75 -2.29 120.40 122.26 2doc s VAL 56 Ca -0.02 -1.57 -0.30 0.00 -2.93 0.00 0.00 61.98 57.16 2doc s VAL 56 Cb -0.17 -1.99 0.12 0.00 -1.53 0.00 0.00 36.38 32.81 2doc s VAL 56 CO -0.08 0.20 0.99 -0.75 -3.33 0.00 0.00 175.10 172.13 2doc s LYS 57 N -1.77 0.62 0.34 1.54 2.20 -0.92 -1.48 119.74 120.27 2doc s LYS 57 Ca 0.14 0.03 -0.28 0.00 -0.36 0.00 0.00 55.97 55.49 2doc s LYS 57 Cb -0.10 0.29 -0.10 0.00 -1.51 0.00 0.00 37.83 36.41 2doc s LYS 57 CO 0.05 -0.22 1.32 -1.21 -0.36 0.00 0.00 175.35 174.93 2doc s GLU 58 N -1.65 4.31 0.18 4.03 2.02 -1.26 -0.15 118.70 126.17 2doc s GLU 58 Ca 0.01 2.24 0.12 0.00 0.02 0.00 0.00 54.97 57.36 2doc s GLU 58 Cb -0.01 -3.04 0.66 0.00 0.10 0.00 0.00 34.13 31.85 2doc s GLU 58 CO -0.01 -0.24 1.38 1.55 0.02 0.00 0.00 175.26 177.95 2doc n VAL 59 N 0.72 1.45 -0.08 2.63 3.14 -1.21 -1.43 118.33 123.56 2doc n VAL 59 Ca 0.00 0.63 -0.08 0.00 -2.96 0.00 0.00 64.34 61.93 2doc n VAL 59 Cb 0.42 -1.63 -0.12 0.00 -1.06 0.00 0.00 33.84 31.45 2doc n VAL 59 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2doc n ALA 60 N -1.66 1.61 -1.78 1.55 0.00 -1.26 -5.00 120.51 113.98 2doc n ALA 60 Ca -0.01 -1.02 -0.31 0.00 0.00 0.00 0.00 53.44 52.10 2doc n ALA 60 Cb 0.02 -0.08 0.04 0.00 0.00 0.00 0.00 19.45 19.43 2doc n ALA 60 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2doc s SER 61 N -4.95 5.69 -0.12 0.00 0.15 -0.51 -4.99 113.70 108.96 2doc s SER 61 Ca -0.08 1.38 0.16 0.00 0.70 0.00 0.00 55.95 58.11 2doc s SER 61 Cb 0.05 -2.30 0.31 0.00 -1.71 0.00 0.00 66.02 62.36 2doc s SER 61 CO 0.63 -1.21 1.19 1.21 1.20 0.00 0.00 173.24 176.26 2doc n GLU 62 N -2.96 1.85 -3.82 5.44 2.13 -1.26 -4.65 120.64 117.37 2doc n GLU 62 Ca 0.07 -2.50 -0.36 0.00 0.66 0.00 0.00 57.16 55.03 2doc n GLU 62 Cb 0.55 -1.51 -0.13 0.00 0.27 0.00 0.00 31.44 30.62 2doc n GLU 62 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2doc s ILE 63 N -2.60 3.73 -0.16 6.31 1.01 -1.26 -5.09 121.20 123.15 2doc s ILE 63 Ca 0.30 -0.63 -0.19 0.00 0.00 0.00 0.00 60.65 60.13 2doc s ILE 63 Cb 0.26 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 2doc s ILE 63 CO 0.04 0.20 0.53 0.26 0.00 0.00 0.00 174.94 175.98 2doc s TRP 64 N 1.49 3.44 -0.23 3.97 0.52 -1.26 -4.61 118.94 122.25 2doc s TRP 64 Ca 0.03 0.88 -0.09 0.00 0.02 0.00 0.00 56.10 56.94 2doc s TRP 64 Cb -0.16 -2.66 -0.04 0.00 -1.15 0.00 0.00 33.47 29.46 2doc s TRP 64 CO 0.00 -0.00 0.12 0.15 0.02 0.00 0.00 176.95 177.24 2doc s LYS 65 N 1.25 3.94 -0.19 4.98 -0.14 -0.55 -4.95 119.74 124.08 2doc s LYS 65 Ca 0.26 -0.34 -0.13 0.00 -1.36 0.00 0.00 55.97 54.40 2doc s LYS 65 Cb -0.16 -3.43 -0.05 0.00 -1.68 0.00 0.00 37.83 32.52 2doc s LYS 65 CO 0.11 0.03 0.28 0.42 -0.76 0.00 0.00 175.35 175.43 2doc s ILE 66 N 1.09 5.30 -0.24 2.17 -1.09 -1.26 -1.82 121.20 125.36 2doc s ILE 66 Ca 0.06 0.50 -0.00 0.00 -2.23 0.00 0.00 60.65 58.97 2doc s ILE 66 Cb -0.14 -3.62 0.07 0.00 -1.58 0.00 0.00 42.46 37.19 2doc s ILE 66 CO 0.04 0.36 -0.00 -0.69 -1.23 0.00 0.00 174.94 173.42 2doc s VAL 67 N 0.74 1.18 0.36 2.92 1.01 -0.39 -5.01 120.40 121.20 2doc s VAL 67 Ca 0.15 -1.10 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 2doc s VAL 67 Cb -0.13 -1.59 -0.07 0.00 0.00 0.00 0.00 36.38 34.58 2doc s VAL 67 CO 0.04 -0.24 0.72 -0.13 0.00 0.00 0.00 175.10 175.49 2doc s ARG 68 N 1.54 3.82 0.69 2.72 0.52 -1.26 -3.41 118.95 123.57 2doc s ARG 68 Ca -0.01 0.45 -0.02 0.00 -0.52 0.00 0.00 55.73 55.63 2doc s ARG 68 Cb -0.18 -2.45 0.10 0.00 0.52 0.00 0.00 34.95 32.93 2doc s ARG 68 CO -0.09 0.07 0.96 -1.54 0.02 0.00 0.00 175.30 174.72 2doc s SER 69 N -2.86 4.58 -0.70 0.23 1.04 -1.26 -5.00 113.70 109.73 2doc s SER 69 Ca 0.51 -0.12 -0.02 0.00 0.48 0.00 0.00 55.95 56.80 2doc s SER 69 Cb -0.10 -0.42 0.43 0.00 0.10 0.00 0.00 66.02 66.03 2doc s SER 69 CO 0.27 -1.69 2.01 1.41 0.98 0.00 0.00 173.24 176.22 2doc n HIS 70 N -2.77 3.17 -2.01 5.02 8.25 -1.26 -4.97 115.22 120.65 2doc n HIS 70 Ca 0.12 -2.84 0.00 0.00 -0.26 0.00 0.00 57.72 54.74 2doc n HIS 70 Cb 0.60 -1.35 0.00 0.00 1.12 0.00 0.00 29.99 30.36 2doc n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2doc n GLY 71 N -0.82 0.14 1.52 -1.41 0.00 -1.26 -4.89 105.19 98.47 2doc n GLY 71 Ca 0.60 -1.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 2doc n GLY 71 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2doc n VAL 72 N 9.00 1.94 -2.54 1.61 0.24 -1.25 -4.49 118.33 122.84 2doc n VAL 72 Ca 0.00 -0.88 -0.34 0.00 -2.04 0.00 0.00 64.34 61.08 2doc n VAL 72 Cb 0.00 -0.69 -0.04 0.00 -1.47 0.00 0.00 33.84 31.65 2doc n VAL 72 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2doc s GLN 73 N -1.63 3.85 -0.18 7.34 -2.07 -1.26 -4.97 119.66 120.74 2doc s GLN 73 Ca 0.27 1.27 0.16 0.00 -1.82 0.00 0.00 55.36 55.24 2doc s GLN 73 Cb 0.23 -2.11 0.66 0.00 -1.09 0.00 0.00 33.01 30.70 2doc s GLN 73 CO 0.06 -0.38 1.57 0.25 -1.32 0.00 0.00 175.29 175.47 2doc n THR 74 N -1.05 2.34 -4.37 3.63 -2.24 -1.26 -4.73 114.28 106.59 2doc n THR 74 Ca 0.09 -1.55 -0.22 0.00 -2.27 0.00 0.00 64.05 60.10 2doc n THR 74 Cb 0.53 -0.16 -0.16 0.00 -2.10 0.00 0.00 70.33 68.43 2doc n THR 74 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 2doc s MET 75 N -2.55 1.24 -0.08 -0.78 -2.45 -1.26 -1.81 119.30 111.61 2doc s MET 75 Ca 0.47 -0.25 -0.09 0.00 -1.25 0.00 0.00 55.69 54.57 2doc s MET 75 Cb 0.36 -1.10 0.02 0.00 1.25 0.00 0.00 34.83 35.35 2doc s MET 75 CO 0.14 -0.03 0.24 0.08 1.05 0.00 0.00 175.02 176.51 2doc s VAL 76 N 0.78 0.01 -0.16 10.11 1.01 -1.12 -4.99 120.40 126.04 2doc s VAL 76 Ca -0.13 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 2doc s VAL 76 Cb -0.15 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 2doc s VAL 76 CO 0.02 -0.04 0.05 0.54 0.00 0.00 0.00 175.10 175.67 2doc s VAL 77 N -0.07 4.71 0.17 2.92 0.11 -1.26 -1.22 120.40 125.76 2doc s VAL 77 Ca -0.02 -0.07 -0.04 0.00 -2.93 0.00 0.00 61.98 58.92 2doc s VAL 77 Cb -0.02 -3.09 -0.05 0.00 -1.53 0.00 0.00 36.38 31.69 2doc s VAL 77 CO 0.01 0.50 0.40 -0.76 -3.33 0.00 0.00 175.10 171.93 2doc s LEU 78 N 0.02 4.23 0.27 2.54 1.43 0.45 -4.90 118.68 122.72 2doc s LEU 78 Ca 0.05 0.58 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 2doc s LEU 78 Cb -0.12 -3.32 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 2doc s LEU 78 CO 0.01 0.00 0.25 0.54 0.23 0.00 0.00 176.35 177.38 2doc s ASN 79 N -2.66 0.87 -0.75 2.29 6.03 -1.26 -1.80 114.94 117.65 2doc s ASN 79 Ca 0.41 -1.53 -0.00 0.00 -1.03 0.00 0.00 52.86 50.70 2doc s ASN 79 Cb -0.12 0.50 -0.00 0.00 -3.03 0.00 0.00 41.25 38.59 2doc s ASN 79 CO 0.26 -1.00 0.63 -3.20 -2.03 0.00 0.00 177.10 171.76 2doc n ASN 80 N -0.94 -2.29 -4.31 3.54 5.15 -1.25 -4.98 115.26 110.18 2doc n ASN 80 Ca 0.04 -0.40 -0.20 0.00 -0.60 0.00 0.00 54.58 53.42 2doc n ASN 80 Cb 0.64 -3.44 -0.11 0.00 -0.53 0.00 0.00 39.78 36.34 2doc n ASN 80 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2doc s LEU 81 N -4.74 2.45 0.03 1.20 1.43 -1.05 -5.10 118.68 112.91 2doc s LEU 81 Ca 0.03 -0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 52.13 2doc s LEU 81 Cb -0.00 -0.73 -0.06 0.00 0.03 0.00 0.00 46.19 45.43 2doc s LEU 81 CO 0.46 -0.09 0.38 -1.61 0.23 0.00 0.00 176.35 175.73 2doc s GLU 82 N -2.94 3.79 0.68 1.70 2.02 -1.26 -4.45 118.70 118.24 2doc s GLU 82 Ca 0.16 0.24 -0.14 0.00 0.02 0.00 0.00 54.97 55.24 2doc s GLU 82 Cb -0.04 -3.10 0.01 0.00 0.10 0.00 0.00 34.13 31.10 2doc s GLU 82 CO 0.06 0.63 1.11 -1.25 0.02 0.00 0.00 175.26 175.82 2doc s PRO 83 N -1.54 2.71 -1.46 0.39 0.04 -0.99 -3.51 135.00 130.64 2doc s PRO 83 Ca 0.28 1.36 -0.07 0.00 0.04 0.00 0.00 61.00 62.61 2doc s PRO 83 Cb -0.15 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.48 2doc s PRO 83 CO 0.15 -1.32 0.65 -1.71 0.04 0.00 0.00 177.00 174.81 2doc n ASN 84 N -2.60 -5.35 -4.22 6.66 2.85 -1.22 -4.91 115.26 106.48 2doc n ASN 84 Ca 0.10 -0.37 -0.15 0.00 -0.11 0.00 0.00 54.58 54.05 2doc n ASN 84 Cb 0.52 -4.33 -0.11 0.00 1.24 0.00 0.00 39.78 37.11 2doc n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2doc s THR 85 N -3.13 1.11 0.04 -0.44 2.01 -1.23 -4.97 115.64 109.03 2doc s THR 85 Ca 0.38 -1.79 0.04 0.00 0.31 0.00 0.00 61.69 60.63 2doc s THR 85 Cb -0.18 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 2doc s THR 85 CO 0.47 -0.58 -0.04 -0.89 -0.69 0.00 0.00 174.62 172.89 2doc s THR 86 N -2.64 3.80 -0.03 -0.82 2.01 -1.26 -0.83 115.64 115.87 2doc s THR 86 Ca 0.10 -0.86 -0.03 0.00 0.31 0.00 0.00 61.69 61.21 2doc s THR 86 Cb -0.02 -2.72 0.01 0.00 0.01 0.00 0.00 72.50 69.78 2doc s THR 86 CO 0.01 0.28 0.09 -0.31 -0.69 0.00 0.00 174.62 174.00 2doc s TYR 87 N -1.12 -0.08 -0.26 4.92 1.51 -0.20 -3.34 117.35 118.78 2doc s TYR 87 Ca 0.20 0.19 -0.14 0.00 -1.01 0.00 0.00 57.07 56.31 2doc s TYR 87 Cb -0.11 0.02 -0.04 0.00 -0.11 0.00 0.00 41.96 41.71 2doc s TYR 87 CO 0.12 -0.07 0.32 -1.21 -1.11 0.00 0.00 175.55 173.60 2doc s GLU 88 N -0.10 4.03 0.06 -0.62 2.02 0.79 -1.92 118.70 122.95 2doc s GLU 88 Ca -0.02 -0.03 0.09 0.00 0.02 0.00 0.00 54.97 55.03 2doc s GLU 88 Cb -0.01 -3.63 -0.03 0.00 0.10 0.00 0.00 34.13 30.56 2doc s GLU 88 CO 0.00 -0.20 -0.26 -1.50 0.02 0.00 0.00 175.26 173.33 2doc s ILE 89 N 1.82 2.08 -0.02 -1.63 2.07 0.13 -2.17 121.20 123.47 2doc s ILE 89 Ca 0.13 -1.43 0.01 0.00 -1.41 0.00 0.00 60.65 57.95 2doc s ILE 89 Cb -0.15 -1.80 0.01 0.00 0.13 0.00 0.00 42.46 40.65 2doc s ILE 89 CO 0.09 0.28 -0.03 0.00 -1.91 0.00 0.00 174.94 173.38 2doc s ARG 90 N -1.39 0.44 -0.17 3.50 1.70 -0.97 0.22 118.95 122.29 2doc s ARG 90 Ca 0.11 -0.06 -0.07 0.00 -0.47 0.00 0.00 55.73 55.24 2doc s ARG 90 Cb -0.10 -0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 33.74 2doc s ARG 90 CO 0.03 -0.03 0.08 0.08 -1.08 0.00 0.00 175.30 174.37 2doc s VAL 91 N 0.54 4.92 0.10 4.99 1.01 -1.26 -2.71 120.40 127.99 2doc s VAL 91 Ca -0.06 0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.95 2doc s VAL 91 Cb -0.09 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2doc s VAL 91 CO -0.01 0.50 -0.08 0.00 0.00 0.00 0.00 175.10 175.51 2doc s ALA 92 N 0.04 1.05 -0.34 5.51 0.00 -0.99 -1.10 121.76 125.93 2doc s ALA 92 Ca 0.06 -1.31 -0.12 0.00 0.00 0.00 0.00 51.96 50.60 2doc s ALA 92 Cb -0.12 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 2doc s ALA 92 CO 0.01 -0.17 0.21 0.00 0.00 0.00 0.00 175.76 175.81 2doc s ALA 93 N -3.24 3.40 -0.20 0.00 0.00 -1.26 -1.99 121.76 118.48 2doc s ALA 93 Ca 0.10 -1.43 -0.05 0.00 0.00 0.00 0.00 51.96 50.58 2doc s ALA 93 Cb 0.03 -2.56 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 2doc s ALA 93 CO -0.03 -1.00 0.00 0.08 0.00 0.00 0.00 175.76 174.81 2doc s VAL 94 N 1.66 4.03 0.30 0.00 1.01 -0.69 -2.80 120.40 123.92 2doc s VAL 94 Ca 0.05 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.79 2doc s VAL 94 Cb -0.17 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 2doc s VAL 94 CO 0.09 0.43 0.21 0.54 0.00 0.00 0.00 175.10 176.37 2doc s ASN 95 N 0.90 1.39 0.25 3.32 4.22 -0.96 -2.47 114.94 121.59 2doc s ASN 95 Ca 0.01 -1.63 0.11 0.00 -2.14 0.00 0.00 52.86 49.22 2doc s ASN 95 Cb -0.14 0.48 0.85 0.00 1.28 0.00 0.00 41.25 43.72 2doc s ASN 95 CO 0.02 -0.97 1.13 0.61 -2.04 0.00 0.00 177.10 175.85 2doc n GLY 96 N -0.56 -0.66 0.12 0.45 0.00 -1.26 0.12 105.19 103.41 2doc n GLY 96 Ca 0.04 0.61 -0.13 0.00 0.00 0.00 0.00 46.02 46.54 2doc n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2doc h LYS 97 N 0.00 -0.19 0.00 1.61 1.79 -1.93 -3.50 116.57 114.36 2doc h LYS 97 Ca 0.56 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.05 2doc h LYS 97 Cb 1.42 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 32.11 2doc h LYS 97 CO -0.59 0.08 0.00 0.41 -1.08 0.00 0.00 179.45 178.28 2doc n GLY 98 N -0.48 -0.03 3.49 3.86 0.00 0.33 -5.03 105.19 107.34 2doc n GLY 98 Ca -0.09 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 2doc n GLY 98 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2doc s GLN 99 N -2.00 3.42 0.00 1.61 0.74 -1.26 -2.26 119.66 119.91 2doc s GLN 99 Ca 0.00 -1.17 0.00 0.00 0.05 0.00 0.00 55.36 54.24 2doc s GLN 99 Cb 0.00 -4.77 0.00 0.00 1.10 0.00 0.00 33.01 29.34 2doc s GLN 99 CO 0.00 -1.95 0.00 0.41 -0.55 0.00 0.00 175.29 173.20 2doc n GLY 100 N 5.81 -0.40 3.06 2.59 0.00 -1.12 -4.90 105.19 110.23 2doc n GLY 100 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 2doc n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2doc s ASP 101 N -2.82 0.45 0.10 1.61 1.11 -1.26 -5.05 116.67 110.81 2doc s ASP 101 Ca 0.00 -0.84 -0.23 0.00 0.18 0.00 0.00 52.55 51.66 2doc s ASP 101 Cb 0.00 0.16 -0.07 0.00 1.07 0.00 0.00 42.92 44.08 2doc s ASP 101 CO 0.00 -0.50 0.69 -0.31 1.18 0.00 0.00 175.17 176.23 2doc s TYR 102 N -3.12 3.83 0.77 4.23 2.02 -1.26 -4.26 117.35 119.56 2doc s TYR 102 Ca 0.00 1.45 -0.11 0.00 -0.37 0.00 0.00 57.07 58.04 2doc s TYR 102 Cb 0.02 -2.67 0.05 0.00 -0.40 0.00 0.00 41.96 38.97 2doc s TYR 102 CO -0.07 0.49 1.08 -1.54 -1.57 0.00 0.00 175.55 173.94 2doc s SER 103 N -0.89 4.68 -0.49 2.29 1.04 -0.26 -4.85 113.70 115.22 2doc s SER 103 Ca 0.33 1.52 -0.45 0.00 0.48 0.00 0.00 55.95 57.84 2doc s SER 103 Cb -0.21 -2.29 -0.19 0.00 0.10 0.00 0.00 66.02 63.42 2doc s SER 103 CO 0.22 -1.88 1.86 1.17 0.98 0.00 0.00 173.24 175.60 2doc n LYS 104 N -3.40 0.00 -1.66 4.02 4.81 -1.26 -4.56 118.16 116.11 2doc n LYS 104 Ca 0.07 0.00 -0.60 0.00 -0.87 0.00 0.00 58.31 56.91 2doc n LYS 104 Cb 0.55 -1.48 -0.08 0.00 0.02 0.00 0.00 35.03 34.04 2doc n LYS 104 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2doc n ILE 105 N 5.27 0.08 -3.93 3.15 2.08 -1.26 -4.85 119.36 119.90 2doc n ILE 105 Ca 0.43 -0.02 -0.34 0.00 0.56 0.00 0.00 62.75 63.39 2doc n ILE 105 Cb -0.05 -0.64 -0.05 0.00 -0.75 0.00 0.00 39.64 38.15 2doc n ILE 105 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2doc s GLU 106 N 2.03 3.38 -0.18 0.38 0.41 0.13 -4.95 118.70 119.90 2doc s GLU 106 Ca 0.96 -0.29 0.00 0.00 -0.41 0.00 0.00 54.97 55.23 2doc s GLU 106 Cb -1.23 -3.08 0.04 0.00 -1.78 0.00 0.00 34.13 28.07 2doc s GLU 106 CO 0.66 0.70 -0.08 0.42 -0.49 0.00 0.00 175.26 176.47 2doc s ILE 107 N -1.22 1.36 0.03 -1.63 1.01 -1.26 0.20 121.20 119.68 2doc s ILE 107 Ca 0.23 -0.80 0.07 0.00 0.00 0.00 0.00 60.65 60.15 2doc s ILE 107 Cb -0.12 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 2doc s ILE 107 CO 0.14 0.15 -0.21 0.72 0.00 0.00 0.00 174.94 175.75 2doc s PHE 108 N 1.52 1.82 -0.19 3.97 -0.12 -0.81 -4.98 117.98 119.19 2doc s PHE 108 Ca -0.00 -0.37 -0.01 0.00 -0.05 0.00 0.00 56.93 56.50 2doc s PHE 108 Cb -0.16 -1.11 0.01 0.00 -0.63 0.00 0.00 43.02 41.13 2doc s PHE 108 CO -0.08 0.06 -0.13 -1.14 -0.05 0.00 0.00 175.22 173.88 2doc s GLN 109 N -0.99 3.17 1.03 1.99 0.74 -1.26 -1.04 119.66 123.30 2doc s GLN 109 Ca 0.08 -0.74 -0.13 0.00 0.05 0.00 0.00 55.36 54.62 2doc s GLN 109 Cb -0.09 -2.76 0.14 0.00 1.10 0.00 0.00 33.01 31.41 2doc s GLN 109 CO 0.01 -0.19 0.66 0.25 -0.55 0.00 0.00 175.29 175.48 2doc n THR 110 N 4.65 0.00 -3.00 -0.34 -2.24 -0.01 -4.91 114.28 108.42 2doc n THR 110 Ca -0.20 -0.22 -0.37 0.00 -2.27 0.00 0.00 64.05 60.99 2doc n THR 110 Cb 0.50 -0.80 -0.06 0.00 -2.10 0.00 0.00 70.33 67.87 2doc n THR 110 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2doc s LEU 111 N -4.00 4.42 -0.13 3.22 1.43 -0.85 -3.88 118.68 118.89 2doc s LEU 111 Ca 0.62 1.57 -0.29 0.00 -1.03 0.00 0.00 54.13 55.00 2doc s LEU 111 Cb -0.21 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.38 2doc s LEU 111 CO 0.64 0.06 1.55 -2.16 0.23 0.00 0.00 176.35 176.68 2doc s PRO 112 N -1.75 4.07 0.05 1.29 0.04 -1.26 -3.38 135.00 134.04 2doc s PRO 112 Ca 0.42 1.89 -0.26 0.00 0.04 0.00 0.00 61.00 63.09 2doc s PRO 112 Cb -0.19 -3.95 -0.14 0.00 0.04 0.00 0.00 34.50 30.26 2doc s PRO 112 CO 0.23 -0.96 0.65 0.28 0.04 0.00 0.00 177.00 177.24 2doc n VAL 113 N 5.76 0.46 0.00 -0.36 0.31 -1.26 -4.88 118.33 118.36 2doc n VAL 113 Ca 0.17 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2doc n VAL 113 Cb 0.44 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 2doc n VAL 113 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2doc n SER 114 N 1.21 2.47 0.00 4.52 2.88 -1.26 -5.10 113.62 118.34 2doc n SER 114 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2doc n SER 114 Cb 0.10 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 2doc n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2doc n GLY 115 N 3.29 4.15 0.24 0.46 0.00 -1.26 -4.98 105.19 107.09 2doc n GLY 115 Ca 0.00 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.56 2doc n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2doc h PRO 116 N 0.00 0.00 -6.48 1.61 0.13 -2.04 -3.42 132.00 121.80 2doc h PRO 116 Ca 0.00 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.55 2doc h PRO 116 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 2doc h PRO 116 CO 0.00 0.17 0.80 0.45 -0.23 0.00 0.00 178.00 179.18 2doc s SER 117 N -6.09 6.61 0.05 1.44 0.15 -1.26 -4.97 113.70 109.63 2doc s SER 117 Ca -0.00 0.39 -0.38 0.00 0.70 0.00 0.00 55.95 56.66 2doc s SER 117 Cb 0.11 -2.51 -0.18 0.00 -1.71 0.00 0.00 66.02 61.72 2doc s SER 117 CO 0.61 -1.15 1.20 -1.54 1.20 0.00 0.00 173.24 173.56 2doc n SER 118 N 7.52 0.80 0.00 5.45 3.41 -1.26 -5.16 113.62 124.38 2doc n SER 118 Ca 0.10 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.85 2doc n SER 118 Cb 0.49 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 2doc n SER 118 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49