#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aas s GLU 2 N 0.00 3.78 0.42 1.97 2.12 -1.26 -4.98 118.70 120.76 2aas s GLU 2 Ca 0.00 -1.90 -0.04 0.00 0.36 0.00 0.00 54.97 53.39 2aas s GLU 2 Cb 0.00 -5.12 -0.04 0.00 0.26 0.00 0.00 34.13 29.23 2aas s GLU 2 CO 0.00 -1.91 0.70 0.95 -0.54 0.00 0.00 175.26 174.45 2aas s THR 3 N 3.00 4.97 0.00 -1.70 -4.23 -1.26 -4.47 115.64 111.95 2aas s THR 3 Ca 0.41 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.95 2aas s THR 3 Cb -0.02 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.98 2aas s THR 3 CO -0.05 -0.70 0.00 0.00 -0.54 0.00 0.00 174.62 173.34 2aas n ALA 4 N -1.93 0.00 -0.16 3.99 0.00 -1.26 -0.33 120.51 120.81 2aas n ALA 4 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.35 2aas n ALA 4 Cb 0.55 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.01 2aas n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aas h ALA 5 N 0.00 0.62 -0.84 0.00 0.00 -1.79 -1.46 119.26 115.80 2aas h ALA 5 Ca 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2aas h ALA 5 Cb 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 2aas h ALA 5 CO 0.00 0.17 0.55 0.00 0.00 0.00 0.00 179.25 179.98 2aas h ALA 6 N 1.08 1.49 -0.38 0.00 0.00 -1.01 -2.20 119.26 118.24 2aas h ALA 6 Ca 0.17 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 2aas h ALA 6 Cb 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2aas h ALA 6 CO -0.02 0.43 -0.19 -0.22 0.00 0.00 0.00 179.25 179.24 2aas h LYS 7 N 1.03 0.80 -0.28 0.00 3.64 -0.89 -1.15 116.57 119.73 2aas h LYS 7 Ca 0.34 -0.35 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 2aas h LYS 7 Cb 0.04 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.77 2aas h LYS 7 CO -0.10 0.98 -0.16 0.35 -2.27 0.00 0.00 179.45 178.25 2aas h PHE 8 N 0.60 -0.41 -0.26 1.91 3.04 -0.94 -0.65 116.94 120.24 2aas h PHE 8 Ca 0.08 0.03 0.06 0.00 3.98 0.00 0.00 57.97 62.13 2aas h PHE 8 Cb 0.75 0.22 -0.06 0.00 2.56 0.00 0.00 35.95 39.41 2aas h PHE 8 CO 0.06 -0.24 -0.17 0.93 -2.02 0.00 0.00 178.31 176.87 2aas h GLU 9 N -0.13 -0.15 0.49 1.11 4.39 -1.22 0.15 114.58 119.22 2aas h GLU 9 Ca 0.15 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 2aas h GLU 9 Cb 0.36 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2aas h GLU 9 CO -0.36 -0.10 -0.24 -0.09 -1.16 0.00 0.00 179.01 177.06 2aas h ARG 10 N -0.16 -0.64 -0.33 2.33 1.12 -0.91 -0.23 114.38 115.56 2aas h ARG 10 Ca 0.14 0.04 -0.09 0.00 -1.11 0.00 0.00 59.98 58.97 2aas h ARG 10 Cb 0.37 0.14 -0.02 0.00 -0.01 0.00 0.00 29.97 30.46 2aas h ARG 10 CO -0.35 -0.42 -0.16 1.96 -3.11 0.00 0.00 179.97 177.89 2aas h GLN 11 N -0.66 0.59 0.00 0.20 4.20 -0.94 -3.42 115.11 115.08 2aas h GLN 11 Ca -0.07 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.40 2aas h GLN 11 Cb 0.51 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2aas h GLN 11 CO 0.11 0.73 -1.18 0.72 -0.67 0.00 0.00 178.83 178.54 2aas n HIS 12 N -4.16 0.00 -2.50 2.96 8.25 0.52 -4.38 115.22 115.90 2aas n HIS 12 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2aas n HIS 12 Cb 0.36 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.33 2aas n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2aas s MET 13 N -2.06 4.37 -0.28 -0.41 -1.94 -0.11 0.42 119.30 119.29 2aas s MET 13 Ca -0.04 1.62 0.20 0.00 -1.71 0.00 0.00 55.69 55.76 2aas s MET 13 Cb 0.02 -3.55 0.49 0.00 2.01 0.00 0.00 34.83 33.80 2aas s MET 13 CO 0.06 -0.42 1.09 -0.25 -0.01 0.00 0.00 175.02 175.49 2aas n ASP 14 N 5.15 1.96 0.13 3.03 8.00 -0.08 -4.92 116.55 129.81 2aas n ASP 14 Ca 0.10 -2.35 0.17 0.00 0.71 0.00 0.00 54.79 53.43 2aas n ASP 14 Cb 0.47 -0.47 0.74 0.00 -0.02 0.00 0.00 41.12 41.83 2aas n ASP 14 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 2aas h SER 15 N 2.63 0.00 -0.29 -2.24 0.87 -1.74 -1.68 113.55 111.09 2aas h SER 15 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2aas h SER 15 Cb 1.27 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 2aas h SER 15 CO 0.31 0.00 0.19 0.77 -0.53 0.00 0.00 176.83 177.57 2aas h SER 16 N 0.00 0.35 -3.32 6.23 4.64 -1.92 -3.41 113.55 116.12 2aas h SER 16 Ca 0.15 -0.01 -0.65 0.00 -0.47 0.00 0.00 61.79 60.81 2aas h SER 16 Cb 0.66 -0.09 -0.25 0.00 -0.31 0.00 0.00 62.40 62.42 2aas h SER 16 CO -0.00 0.26 -0.72 0.42 -0.87 0.00 0.00 176.83 175.92 2aas s THR 17 N -5.36 3.45 -0.85 2.95 -4.23 -0.63 -5.02 115.64 105.94 2aas s THR 17 Ca -0.07 -0.51 0.25 0.00 -1.18 0.00 0.00 61.69 60.18 2aas s THR 17 Cb 0.17 -2.49 0.24 0.00 1.34 0.00 0.00 72.50 71.76 2aas s THR 17 CO 0.72 0.50 1.78 -1.20 -0.54 0.00 0.00 174.62 175.88 2aas n SER 18 N 3.68 0.34 -3.54 3.99 7.64 -1.26 -4.72 113.62 119.75 2aas n SER 18 Ca -0.18 0.55 -0.08 0.00 1.01 0.00 0.00 58.87 60.16 2aas n SER 18 Cb 0.52 -0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 2aas n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aas s ALA 19 N -3.07 -1.89 -0.60 -0.43 0.00 -1.26 -4.85 121.76 109.66 2aas s ALA 19 Ca 0.11 1.26 -0.26 0.00 0.00 0.00 0.00 51.96 53.07 2aas s ALA 19 Cb 0.14 0.02 -0.06 0.00 0.00 0.00 0.00 23.12 23.22 2aas s ALA 19 CO 0.49 -0.57 2.21 0.00 0.00 0.00 0.00 175.76 177.89 2aas s ALA 20 N -2.45 1.67 -1.99 0.00 0.00 -1.26 -4.85 121.76 112.87 2aas s ALA 20 Ca 0.04 -0.41 0.19 0.00 0.00 0.00 0.00 51.96 51.78 2aas s ALA 20 Cb -0.01 -4.38 1.16 0.00 0.00 0.00 0.00 23.12 19.89 2aas s ALA 20 CO -0.05 -4.51 1.55 -1.13 0.00 0.00 0.00 175.76 171.61 2aas n SER 21 N 15.17 0.00 -3.79 0.00 3.41 -1.26 -4.71 113.62 122.44 2aas n SER 21 Ca 0.33 -0.60 -0.13 0.00 -0.26 0.00 0.00 58.87 58.22 2aas n SER 21 Cb 0.52 -0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 2aas n SER 21 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2aas s SER 22 N -2.01 -0.23 0.18 4.04 0.15 -1.26 -5.02 113.70 109.56 2aas s SER 22 Ca 0.29 0.37 0.12 0.00 0.70 0.00 0.00 55.95 57.42 2aas s SER 22 Cb 0.13 0.47 0.63 0.00 -1.71 0.00 0.00 66.02 65.54 2aas s SER 22 CO 0.23 -0.20 1.35 -1.54 1.20 0.00 0.00 173.24 174.27 2aas n SER 23 N 2.42 0.30 -0.19 5.45 3.41 -1.26 -1.49 113.62 122.27 2aas n SER 23 Ca -0.16 0.63 0.09 0.00 -0.26 0.00 0.00 58.87 59.17 2aas n SER 23 Cb 0.57 -0.67 0.15 0.00 -0.26 0.00 0.00 64.21 64.01 2aas n SER 23 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2aas n ASN 24 N -1.90 2.17 -0.15 4.04 0.23 -1.26 -3.07 115.26 115.31 2aas n ASN 24 Ca -0.01 -3.21 -0.03 0.00 -0.53 0.00 0.00 54.58 50.80 2aas n ASN 24 Cb 0.04 -0.44 0.04 0.00 -2.08 0.00 0.00 39.78 37.33 2aas n ASN 24 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2aas h TYR 25 N 0.19 -0.20 -0.78 -2.53 3.20 -1.63 -2.40 116.97 112.81 2aas h TYR 25 Ca -0.00 0.04 0.14 0.00 3.14 0.00 0.00 58.73 62.05 2aas h TYR 25 Cb 1.01 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 39.39 2aas h TYR 25 CO 0.14 -0.18 0.52 0.00 -1.64 0.00 0.00 178.16 177.00 2aas h ASN 27 N 0.49 -1.31 -0.15 0.00 4.21 -1.72 0.24 115.58 117.34 2aas h ASN 27 Ca 0.39 0.11 -0.11 0.00 1.21 0.00 0.00 56.30 57.89 2aas h ASN 27 Cb 0.79 0.44 0.00 0.00 -1.12 0.00 0.00 38.32 38.44 2aas h ASN 27 CO -0.14 -0.61 -0.35 1.56 -1.29 0.00 0.00 177.43 176.60 2aas h GLN 28 N -0.90 0.51 -0.71 0.81 7.50 -1.72 -3.29 115.11 117.31 2aas h GLN 28 Ca -0.04 -0.34 0.02 0.00 0.50 0.00 0.00 58.65 58.79 2aas h GLN 28 Cb 0.81 0.05 -0.04 0.00 0.05 0.00 0.00 27.48 28.35 2aas h GLN 28 CO -0.10 0.95 0.46 1.98 -1.50 0.00 0.00 178.83 180.62 2aas h MET 29 N 0.13 0.89 -0.81 1.46 4.05 -1.11 -1.31 114.93 118.23 2aas h MET 29 Ca -0.00 -0.05 0.14 0.00 -0.28 0.00 0.00 59.70 59.50 2aas h MET 29 Cb 0.96 -0.20 -0.09 0.00 -0.80 0.00 0.00 31.60 31.47 2aas h MET 29 CO 0.08 0.59 0.40 0.52 0.23 0.00 0.00 176.91 178.72 2aas h MET 30 N 0.92 0.57 -0.16 0.39 2.86 -0.64 -2.74 114.93 116.13 2aas h MET 30 Ca 0.27 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.85 2aas h MET 30 Cb -0.05 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 2aas h MET 30 CO -0.08 0.37 -0.02 0.87 1.06 0.00 0.00 176.91 179.11 2aas h LYS 31 N 0.58 0.30 -0.09 1.72 1.57 -1.33 -2.58 116.57 116.74 2aas h LYS 31 Ca 0.44 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 59.08 2aas h LYS 31 Cb 0.60 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 2aas h LYS 31 CO -0.36 0.55 -0.09 0.66 -0.57 0.00 0.00 179.45 179.65 2aas h SER 32 N 0.02 0.13 -0.27 0.86 4.64 -1.19 -1.94 113.55 115.79 2aas h SER 32 Ca 0.04 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.26 2aas h SER 32 Cb 0.43 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.44 2aas h SER 32 CO 0.01 0.24 0.10 0.54 -0.87 0.00 0.00 176.83 176.86 2aas n ARG 33 N -4.36 1.94 -1.20 4.77 5.12 -1.05 -4.90 116.66 116.98 2aas n ARG 33 Ca -0.01 -1.08 -0.04 0.00 -1.93 0.00 0.00 57.85 54.79 2aas n ARG 33 Cb 0.21 -1.61 -0.02 0.00 -1.16 0.00 0.00 32.46 29.89 2aas n ARG 33 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2aas n ASN 34 N 0.09 -1.18 0.23 0.55 6.94 -0.73 -4.73 115.26 116.42 2aas n ASN 34 Ca 0.15 0.12 0.08 0.00 -0.02 0.00 0.00 54.58 54.92 2aas n ASN 34 Cb 0.73 -1.42 0.55 0.00 -2.36 0.00 0.00 39.78 37.29 2aas n ASN 34 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2aas h LEU 35 N 0.00 0.00 -3.82 -4.53 3.38 -1.65 -2.80 115.31 105.89 2aas h LEU 35 Ca -0.09 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.33 2aas h LEU 35 Cb 0.33 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.76 2aas h LEU 35 CO 0.13 0.22 0.10 0.35 0.09 0.00 0.00 178.44 179.33 2aas n THR 36 N -3.81 3.05 -0.33 0.22 -2.24 -1.25 -4.12 114.28 105.80 2aas n THR 36 Ca -0.02 -3.33 -0.04 0.00 -2.27 0.00 0.00 64.05 58.39 2aas n THR 36 Cb 0.32 -1.00 0.09 0.00 -2.10 0.00 0.00 70.33 67.64 2aas n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2aas h LYS 37 N 1.87 1.22 0.00 -0.78 1.63 -1.84 -3.38 116.57 115.29 2aas h LYS 37 Ca 0.47 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 60.15 2aas h LYS 37 Cb 1.32 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 2aas h LYS 37 CO 1.09 0.87 -0.80 -0.25 -3.45 0.00 0.00 179.45 176.91 2aas n ASP 38 N -4.38 1.05 -4.42 4.20 9.92 -1.26 -5.08 116.55 116.58 2aas n ASP 38 Ca 0.09 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.11 2aas n ASP 38 Cb 0.07 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.44 2aas n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2aas s ARG 39 N -1.93 1.53 -0.33 -1.24 3.03 -1.26 -4.86 118.95 113.89 2aas s ARG 39 Ca 0.00 -1.60 -0.29 0.00 2.03 0.00 0.00 55.73 55.87 2aas s ARG 39 Cb 0.00 -1.71 -0.00 0.00 -1.03 0.00 0.00 34.95 32.20 2aas s ARG 39 CO 0.00 0.35 1.47 0.00 -1.13 0.00 0.00 175.30 175.98 2aas s LYS 41 N 4.75 4.17 0.20 0.00 2.20 -1.26 -4.92 119.74 124.88 2aas s LYS 41 Ca 0.64 2.32 -0.14 0.00 -0.36 0.00 0.00 55.97 58.43 2aas s LYS 41 Cb -0.18 -3.96 0.22 0.00 -1.51 0.00 0.00 37.83 32.41 2aas s LYS 41 CO 0.29 -0.85 1.64 -1.35 -0.36 0.00 0.00 175.35 174.72 2aas h PRO 42 N 9.56 0.01 -3.41 4.03 0.11 -1.93 -3.43 132.00 136.95 2aas h PRO 42 Ca -0.42 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.51 2aas h PRO 42 Cb 1.20 -0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.06 2aas h PRO 42 CO 0.95 0.01 -0.52 0.54 -0.21 0.00 0.00 178.00 178.76 2aas s VAL 43 N -6.22 0.03 0.01 3.15 0.11 -1.26 -0.60 120.40 115.61 2aas s VAL 43 Ca -0.14 -0.23 -0.28 0.00 -2.93 0.00 0.00 61.98 58.40 2aas s VAL 43 Cb 0.18 -0.29 0.09 0.00 -1.53 0.00 0.00 36.38 34.84 2aas s VAL 43 CO 0.73 -0.13 0.80 0.21 -3.33 0.00 0.00 175.10 173.39 2aas s ASN 44 N -0.39 -0.46 -0.08 3.54 2.47 -0.60 -5.04 114.94 114.39 2aas s ASN 44 Ca -0.05 0.16 0.03 0.00 0.42 0.00 0.00 52.86 53.42 2aas s ASN 44 Cb -0.03 0.45 -0.02 0.00 -1.45 0.00 0.00 41.25 40.20 2aas s ASN 44 CO 0.01 -0.67 -0.16 -0.89 -3.72 0.00 0.00 177.10 171.66 2aas s THR 45 N -2.72 2.82 0.06 -5.21 2.01 -1.26 -0.09 115.64 111.26 2aas s THR 45 Ca 0.01 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.22 2aas s THR 45 Cb -0.01 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 2aas s THR 45 CO -0.06 0.57 0.19 -0.36 -0.69 0.00 0.00 174.62 174.27 2aas s PHE 46 N -0.26 3.48 -0.19 4.92 0.08 0.12 -4.12 117.98 122.01 2aas s PHE 46 Ca 0.01 0.23 0.01 0.00 0.12 0.00 0.00 56.93 57.30 2aas s PHE 46 Cb -0.13 -1.75 0.04 0.00 -0.57 0.00 0.00 43.02 40.61 2aas s PHE 46 CO 0.03 0.58 -0.11 0.08 -0.10 0.00 0.00 175.22 175.70 2aas s VAL 47 N -1.49 1.65 -0.35 -0.44 1.01 0.17 0.68 120.40 121.62 2aas s VAL 47 Ca 0.34 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 2aas s VAL 47 Cb -0.13 -1.69 0.13 0.00 0.00 0.00 0.00 36.38 34.69 2aas s VAL 47 CO 0.27 0.23 2.41 1.41 0.00 0.00 0.00 175.10 179.42 2aas n HIS 48 N 4.69 1.47 -4.32 5.22 8.25 0.09 -0.90 115.22 129.73 2aas n HIS 48 Ca -0.15 -1.93 -0.18 0.00 -0.26 0.00 0.00 57.72 55.20 2aas n HIS 48 Cb 0.47 -1.16 -0.10 0.00 1.12 0.00 0.00 29.99 30.32 2aas n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2aas s GLU 49 N -1.62 1.24 0.70 -0.41 0.41 -1.26 -4.71 118.70 113.06 2aas s GLU 49 Ca 0.44 -1.50 -0.15 0.00 -0.41 0.00 0.00 54.97 53.35 2aas s GLU 49 Cb 0.30 -1.06 0.03 0.00 -1.78 0.00 0.00 34.13 31.62 2aas s GLU 49 CO -0.09 0.18 1.16 -1.54 -0.49 0.00 0.00 175.26 174.48 2aas s SER 50 N -3.08 4.55 0.23 -0.19 1.04 -1.26 -3.57 113.70 111.41 2aas s SER 50 Ca 0.19 2.20 -0.06 0.00 0.48 0.00 0.00 55.95 58.76 2aas s SER 50 Cb -0.02 -2.57 0.36 0.00 0.10 0.00 0.00 66.02 63.89 2aas s SER 50 CO 0.05 -2.02 1.77 0.25 0.98 0.00 0.00 173.24 174.28 2aas h LEU 51 N -0.19 0.45 -0.68 2.42 5.85 -1.99 -2.12 115.31 119.05 2aas h LEU 51 Ca -0.47 0.07 0.15 0.00 0.84 0.00 0.00 57.88 58.46 2aas h LEU 51 Cb 1.27 -0.01 -0.11 0.00 0.37 0.00 0.00 40.66 42.19 2aas h LEU 51 CO 0.51 0.25 0.06 0.00 -0.34 0.00 0.00 178.44 178.92 2aas h ALA 52 N 1.45 0.75 -0.49 1.25 0.00 -1.99 0.41 119.26 120.64 2aas h ALA 52 Ca 0.36 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 2aas h ALA 52 Cb 0.41 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2aas h ALA 52 CO -0.29 -0.38 0.25 -0.44 0.00 0.00 0.00 179.25 178.39 2aas h ASP 53 N 0.16 0.63 0.45 0.00 3.32 -1.78 -2.45 116.42 116.75 2aas h ASP 53 Ca 0.37 -0.11 -0.16 0.00 0.02 0.00 0.00 57.03 57.15 2aas h ASP 53 Cb 0.62 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2aas h ASP 53 CO -0.55 0.56 -0.68 0.58 -1.72 0.00 0.00 179.24 177.43 2aas h VAL 54 N 0.65 1.42 -0.56 -1.35 2.07 -0.82 -2.55 116.25 115.11 2aas h VAL 54 Ca 0.17 -2.18 0.09 0.00 0.82 0.00 0.00 66.70 65.60 2aas h VAL 54 Cb 0.09 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 2aas h VAL 54 CO -0.02 0.64 0.38 1.56 0.02 0.00 0.00 177.57 180.14 2aas h GLN 55 N 0.14 0.40 0.00 1.57 4.20 0.03 -0.66 115.11 120.78 2aas h GLN 55 Ca -0.02 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2aas h GLN 55 Cb 1.22 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.91 2aas h GLN 55 CO 0.10 0.26 -0.02 0.00 -0.67 0.00 0.00 178.83 178.50 2aas h ALA 56 N 1.71 1.15 -0.01 3.87 0.00 -1.00 -2.03 119.26 122.95 2aas h ALA 56 Ca 0.26 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 2aas h ALA 56 Cb 0.47 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2aas h ALA 56 CO -0.07 0.03 -0.80 0.28 0.00 0.00 0.00 179.25 178.70 2aas h VAL 57 N 0.00 1.51 0.00 0.00 2.07 -1.18 -3.12 116.25 115.53 2aas h VAL 57 Ca -0.00 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 64.96 2aas h VAL 57 Cb 0.15 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2aas h VAL 57 CO 0.00 0.74 0.01 0.00 0.02 0.00 0.00 177.57 178.35 2aas n SER 59 N -2.77 2.61 0.00 0.00 7.64 -1.18 -4.89 113.62 115.03 2aas n SER 59 Ca -0.02 -3.72 0.00 0.00 1.01 0.00 0.00 58.87 56.14 2aas n SER 59 Cb 0.07 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 2aas n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aas n GLN 60 N -0.90 0.00 -3.71 1.43 6.02 -0.52 -5.06 117.38 114.64 2aas n GLN 60 Ca 0.25 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 57.07 2aas n GLN 60 Cb 0.80 -0.06 -0.17 0.00 1.02 0.00 0.00 30.24 31.83 2aas n GLN 60 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2aas s LYS 61 N -0.15 -0.05 0.16 -1.09 -2.85 -0.58 -5.00 119.74 110.19 2aas s LYS 61 Ca 0.00 0.33 -0.30 0.00 -1.00 0.00 0.00 55.97 55.00 2aas s LYS 61 Cb 0.00 -0.38 -0.07 0.00 -2.06 0.00 0.00 37.83 35.31 2aas s LYS 61 CO 0.00 -0.27 1.14 1.21 0.10 0.00 0.00 175.35 177.53 2aas s ASN 62 N 1.76 7.19 0.15 0.03 3.84 -1.26 -0.42 114.94 126.23 2aas s ASN 62 Ca -0.01 2.11 -0.01 0.00 0.21 0.00 0.00 52.86 55.16 2aas s ASN 62 Cb -0.12 -2.60 -0.04 0.00 -0.55 0.00 0.00 41.25 37.94 2aas s ASN 62 CO -0.03 -0.30 0.07 0.68 -2.79 0.00 0.00 177.10 174.73 2aas s VAL 63 N 0.04 0.10 -0.05 -5.21 -7.23 0.33 -4.91 120.40 103.47 2aas s VAL 63 Ca 0.52 -1.93 -0.14 0.00 -1.81 0.00 0.00 61.98 58.61 2aas s VAL 63 Cb -0.30 -2.16 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 2aas s VAL 63 CO 0.34 -0.35 0.37 0.00 -0.31 0.00 0.00 175.10 175.14 2aas s ALA 64 N -4.06 3.68 0.61 1.32 0.00 -1.26 -2.58 121.76 119.47 2aas s ALA 64 Ca 0.28 -0.30 -0.17 0.00 0.00 0.00 0.00 51.96 51.76 2aas s ALA 64 Cb 0.07 -2.36 -0.02 0.00 0.00 0.00 0.00 23.12 20.80 2aas s ALA 64 CO 0.04 0.39 1.13 0.00 0.00 0.00 0.00 175.76 177.32 2aas h LYS 66 N 0.57 0.00 0.00 0.00 2.10 -1.95 0.22 116.57 117.51 2aas h LYS 66 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 2aas h LYS 66 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2aas h LYS 66 CO 0.55 0.00 -0.48 0.27 -2.00 0.00 0.00 179.45 177.79 2aas n ASN 67 N -3.24 0.70 0.00 7.07 6.94 -1.26 -4.98 115.26 120.49 2aas n ASN 67 Ca 0.00 0.20 0.00 0.00 -0.02 0.00 0.00 54.58 54.76 2aas n ASN 67 Cb 0.37 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.75 2aas n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2aas n GLY 68 N 1.34 1.20 3.79 4.83 0.00 0.78 -5.11 105.19 112.03 2aas n GLY 68 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2aas n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2aas s GLN 69 N -0.59 4.45 0.00 1.61 -0.44 -1.24 -4.81 119.66 118.64 2aas s GLN 69 Ca 0.00 1.04 0.29 0.00 -2.50 0.00 0.00 55.36 54.19 2aas s GLN 69 Cb 0.00 -3.18 1.40 0.00 -1.64 0.00 0.00 33.01 29.59 2aas s GLN 69 CO 0.00 0.54 1.98 0.25 0.50 0.00 0.00 175.29 178.56 2aas n THR 70 N 1.42 0.06 -0.76 -0.34 -2.24 -1.26 0.09 114.28 111.25 2aas n THR 70 Ca -0.06 0.01 -0.18 0.00 -2.27 0.00 0.00 64.05 61.55 2aas n THR 70 Cb 0.49 -0.54 0.07 0.00 -2.10 0.00 0.00 70.33 68.26 2aas n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2aas n ASN 71 N -1.33 5.64 -4.48 3.42 6.94 -1.26 -4.56 115.26 119.62 2aas n ASN 71 Ca 0.12 -3.13 -0.31 0.00 -0.02 0.00 0.00 54.58 51.24 2aas n ASN 71 Cb 0.25 -0.93 -0.12 0.00 -2.36 0.00 0.00 39.78 36.62 2aas n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2aas s TYR 73 N -0.96 0.22 -0.03 0.00 2.02 0.18 -0.51 117.35 118.28 2aas s TYR 73 Ca 0.15 -0.25 0.06 0.00 -0.37 0.00 0.00 57.07 56.66 2aas s TYR 73 Cb -0.11 -0.15 -0.02 0.00 -0.40 0.00 0.00 41.96 41.28 2aas s TYR 73 CO 0.06 -0.08 -0.20 -1.14 -1.57 0.00 0.00 175.55 172.62 2aas s GLN 74 N -0.70 2.29 0.59 -0.62 0.74 0.44 -1.68 119.66 120.71 2aas s GLN 74 Ca -0.06 -0.82 -0.16 0.00 0.05 0.00 0.00 55.36 54.36 2aas s GLN 74 Cb -0.05 -2.20 -0.04 0.00 1.10 0.00 0.00 33.01 31.82 2aas s GLN 74 CO -0.00 0.59 1.05 -1.54 -0.55 0.00 0.00 175.29 174.84 2aas s SER 75 N -0.70 5.85 0.23 6.67 1.04 -1.11 -1.52 113.70 124.16 2aas s SER 75 Ca 0.11 1.81 0.25 0.00 0.48 0.00 0.00 55.95 58.60 2aas s SER 75 Cb -0.10 -2.53 0.90 0.00 0.10 0.00 0.00 66.02 64.39 2aas s SER 75 CO -0.00 -1.12 1.75 -1.22 0.98 0.00 0.00 173.24 173.62 2aas n TYR 76 N -1.97 0.87 -4.12 5.02 4.01 -1.26 -4.77 117.16 114.94 2aas n TYR 76 Ca 0.09 0.29 -0.14 0.00 -0.16 0.00 0.00 57.90 57.98 2aas n TYR 76 Cb 0.53 -0.98 -0.06 0.00 -0.31 0.00 0.00 39.34 38.52 2aas n TYR 76 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2aas s SER 77 N -4.38 0.66 0.37 7.72 0.15 -1.26 -5.10 113.70 111.86 2aas s SER 77 Ca 0.07 -1.40 -0.25 0.00 0.70 0.00 0.00 55.95 55.08 2aas s SER 77 Cb 0.11 0.57 -0.10 0.00 -1.71 0.00 0.00 66.02 64.89 2aas s SER 77 CO 0.49 -1.13 1.00 0.42 1.20 0.00 0.00 173.24 175.22 2aas s THR 78 N -3.55 3.97 0.12 6.45 -4.23 -1.26 -4.54 115.64 112.60 2aas s THR 78 Ca 0.32 1.55 0.08 0.00 -1.18 0.00 0.00 61.69 62.46 2aas s THR 78 Cb 0.02 -3.82 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 2aas s THR 78 CO 0.17 0.05 -0.20 -0.04 -0.54 0.00 0.00 174.62 174.06 2aas s MET 79 N -2.33 1.17 -0.45 3.99 -1.94 0.53 -4.82 119.30 115.44 2aas s MET 79 Ca 0.54 -1.24 -0.28 0.00 -1.71 0.00 0.00 55.69 53.00 2aas s MET 79 Cb -0.20 -1.35 0.00 0.00 2.01 0.00 0.00 34.83 35.30 2aas s MET 79 CO 0.25 0.30 1.50 0.45 -0.01 0.00 0.00 175.02 177.51 2aas s SER 80 N -2.17 6.14 0.04 3.03 0.15 -1.26 -1.56 113.70 118.06 2aas s SER 80 Ca 0.09 0.72 0.08 0.00 0.70 0.00 0.00 55.95 57.54 2aas s SER 80 Cb -0.08 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.66 2aas s SER 80 CO 0.05 -1.62 -0.23 0.27 1.20 0.00 0.00 173.24 172.91 2aas s ILE 81 N 6.08 1.87 -0.32 6.45 -5.25 0.47 -0.73 121.20 129.76 2aas s ILE 81 Ca 0.62 -1.25 0.03 0.00 -0.99 0.00 0.00 60.65 59.06 2aas s ILE 81 Cb -0.14 -1.60 0.08 0.00 2.95 0.00 0.00 42.46 43.75 2aas s ILE 81 CO 0.30 0.30 0.01 -0.89 -1.79 0.00 0.00 174.94 172.87 2aas s THR 82 N -0.77 2.38 -0.09 8.37 2.01 0.21 -0.94 115.64 126.81 2aas s THR 82 Ca 0.09 -2.02 -0.29 0.00 0.31 0.00 0.00 61.69 59.78 2aas s THR 82 Cb -0.09 -2.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.80 2aas s THR 82 CO 0.02 -0.38 0.96 -0.62 -0.69 0.00 0.00 174.62 173.90 2aas s ASP 83 N 1.07 7.22 -0.42 3.53 -1.08 -0.29 0.12 116.67 126.81 2aas s ASP 83 Ca 0.03 1.49 -0.05 0.00 -0.52 0.00 0.00 52.55 53.50 2aas s ASP 83 Cb -0.20 -2.54 0.11 0.00 -1.46 0.00 0.00 42.92 38.83 2aas s ASP 83 CO -0.06 -0.39 0.23 0.00 0.52 0.00 0.00 175.17 175.47 2aas s ARG 85 N 1.21 3.21 0.25 0.00 6.06 -0.57 -1.55 118.95 127.55 2aas s ARG 85 Ca 0.07 -0.77 -0.31 0.00 -2.50 0.00 0.00 55.73 52.22 2aas s ARG 85 Cb -0.23 -2.54 -0.12 0.00 0.06 0.00 0.00 34.95 32.11 2aas s ARG 85 CO -0.03 0.10 1.67 -0.85 -2.50 0.00 0.00 175.30 173.69 2aas n GLU 86 N 3.81 2.76 -4.20 5.12 0.28 0.23 0.31 120.64 128.94 2aas n GLU 86 Ca -0.19 0.99 -0.12 0.00 -0.16 0.00 0.00 57.16 57.68 2aas n GLU 86 Cb 0.52 -2.81 -0.10 0.00 1.43 0.00 0.00 31.44 30.48 2aas n GLU 86 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2aas s THR 87 N 0.64 0.74 -1.46 3.84 -1.32 -0.16 -4.74 115.64 113.17 2aas s THR 87 Ca 0.70 -1.96 -0.09 0.00 -1.21 0.00 0.00 61.69 59.13 2aas s THR 87 Cb -0.50 -1.83 0.06 0.00 -1.51 0.00 0.00 72.50 68.72 2aas s THR 87 CO 0.40 -0.74 0.83 0.61 -2.21 0.00 0.00 174.62 173.50 2aas n GLY 88 N -0.12 -0.40 3.02 6.08 0.00 -1.26 -3.32 105.19 109.18 2aas n GLY 88 Ca -0.10 0.16 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 2aas n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2aas n SER 89 N -2.91 -7.16 -4.56 1.61 3.41 -1.26 -4.87 113.62 97.89 2aas n SER 89 Ca -0.10 0.71 -0.30 0.00 -0.26 0.00 0.00 58.87 58.93 2aas n SER 89 Cb 0.59 -3.54 -0.05 0.00 -0.26 0.00 0.00 64.21 60.95 2aas n SER 89 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2aas s SER 90 N -1.55 5.38 0.06 4.04 1.04 -1.21 -4.60 113.70 116.86 2aas s SER 90 Ca 0.10 -0.75 -0.04 0.00 0.48 0.00 0.00 55.95 55.74 2aas s SER 90 Cb -0.02 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.50 2aas s SER 90 CO 0.54 -2.52 0.28 -0.54 0.98 0.00 0.00 173.24 171.98 2aas s LYS 91 N 6.67 3.54 0.11 4.02 1.02 -1.23 -4.66 119.74 129.21 2aas s LYS 91 Ca 0.66 -0.20 -0.29 0.00 0.02 0.00 0.00 55.97 56.16 2aas s LYS 91 Cb -0.06 -3.00 -0.06 0.00 -0.52 0.00 0.00 37.83 34.19 2aas s LYS 91 CO -0.01 0.59 0.92 -0.47 -0.92 0.00 0.00 175.35 175.45 2aas s TYR 92 N -1.47 3.82 -2.17 3.18 5.04 -1.26 -0.62 117.35 123.86 2aas s TYR 92 Ca 0.34 1.75 0.17 0.00 -2.44 0.00 0.00 57.07 56.89 2aas s TYR 92 Cb -0.13 -3.00 0.54 0.00 0.35 0.00 0.00 41.96 39.73 2aas s TYR 92 CO 0.22 0.25 1.42 -0.35 -1.34 0.00 0.00 175.55 175.75 2aas n PRO 93 N 2.65 1.92 -1.87 4.97 -0.04 -1.26 -4.98 135.00 136.40 2aas n PRO 93 Ca 0.01 -1.41 -0.40 0.00 -0.04 0.00 0.00 63.50 61.65 2aas n PRO 93 Cb 0.49 -1.38 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 2aas n PRO 93 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2aas n ASN 94 N 0.63 7.40 -4.63 3.54 6.94 0.21 -4.95 115.26 124.41 2aas n ASN 94 Ca 0.16 -2.98 -0.43 0.00 -0.02 0.00 0.00 54.58 51.31 2aas n ASN 94 Cb 0.37 -1.45 -0.03 0.00 -2.36 0.00 0.00 39.78 36.31 2aas n ASN 94 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2aas s ALA 96 N 5.28 3.22 0.11 0.00 0.00 -1.26 -4.75 121.76 124.36 2aas s ALA 96 Ca 0.73 -1.23 0.09 0.00 0.00 0.00 0.00 51.96 51.55 2aas s ALA 96 Cb -0.26 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.61 2aas s ALA 96 CO 0.30 -0.65 -0.22 0.71 0.00 0.00 0.00 175.76 175.89 2aas s TYR 97 N 1.62 1.92 -0.22 0.00 1.51 -1.26 -0.99 117.35 119.92 2aas s TYR 97 Ca 0.06 -0.41 -0.12 0.00 -1.01 0.00 0.00 57.07 55.59 2aas s TYR 97 Cb -0.16 -1.05 -0.05 0.00 -0.11 0.00 0.00 41.96 40.60 2aas s TYR 97 CO 0.05 0.24 0.21 0.21 -1.11 0.00 0.00 175.55 175.15 2aas s LYS 98 N -1.97 4.12 -0.18 -0.62 2.47 0.15 -4.73 119.74 118.98 2aas s LYS 98 Ca 0.08 -0.15 -0.05 0.00 -1.56 0.00 0.00 55.97 54.30 2aas s LYS 98 Cb -0.10 -3.52 -0.03 0.00 -1.46 0.00 0.00 37.83 32.72 2aas s LYS 98 CO 0.05 0.08 -0.00 0.99 0.16 0.00 0.00 175.35 176.62 2aas s THR 99 N 0.99 4.08 -0.17 3.43 2.01 -1.17 -1.51 115.64 123.30 2aas s THR 99 Ca 0.10 -0.28 -0.01 0.00 0.31 0.00 0.00 61.69 61.81 2aas s THR 99 Cb -0.13 -2.82 -0.01 0.00 0.01 0.00 0.00 72.50 69.55 2aas s THR 99 CO 0.04 0.46 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.42 2aas s THR 100 N 0.66 2.97 -0.35 -0.82 2.01 -0.10 -4.83 115.64 115.17 2aas s THR 100 Ca -0.00 -0.66 -0.12 0.00 0.31 0.00 0.00 61.69 61.21 2aas s THR 100 Cb -0.14 -2.28 -0.00 0.00 0.01 0.00 0.00 72.50 70.08 2aas s THR 100 CO 0.02 0.49 0.23 -1.58 -0.69 0.00 0.00 174.62 173.09 2aas s GLN 101 N 0.86 3.29 0.02 4.92 2.00 -1.26 -1.14 119.66 128.34 2aas s GLN 101 Ca -0.03 -0.78 0.01 0.00 -2.00 0.00 0.00 55.36 52.55 2aas s GLN 101 Cb -0.15 -3.77 -0.01 0.00 0.80 0.00 0.00 33.01 29.87 2aas s GLN 101 CO 0.00 -0.52 -0.04 0.00 -0.50 0.00 0.00 175.29 174.23 2aas s ALA 102 N 1.67 0.24 -0.49 1.58 0.00 -0.11 -5.03 121.76 119.62 2aas s ALA 102 Ca 0.05 -0.44 -0.12 0.00 0.00 0.00 0.00 51.96 51.45 2aas s ALA 102 Cb -0.18 0.05 0.12 0.00 0.00 0.00 0.00 23.12 23.11 2aas s ALA 102 CO 0.09 -0.05 0.39 -0.80 0.00 0.00 0.00 175.76 175.39 2aas s ASN 103 N -0.96 5.87 0.15 0.00 -0.87 -1.26 -0.40 114.94 117.48 2aas s ASN 103 Ca -0.08 -1.82 0.05 0.00 -1.57 0.00 0.00 52.86 49.44 2aas s ASN 103 Cb -0.07 -2.08 -0.04 0.00 -0.02 0.00 0.00 41.25 39.04 2aas s ASN 103 CO -0.00 -0.73 -0.11 -0.54 -2.57 0.00 0.00 177.10 173.14 2aas s LYS 104 N 1.45 1.11 0.44 -0.60 1.02 -0.60 -4.75 119.74 117.81 2aas s LYS 104 Ca 0.05 -1.45 -0.23 0.00 0.02 0.00 0.00 55.97 54.36 2aas s LYS 104 Cb -0.27 -0.76 -0.08 0.00 -0.52 0.00 0.00 37.83 36.20 2aas s LYS 104 CO 0.01 0.11 1.12 -1.01 -0.92 0.00 0.00 175.35 174.66 2aas s HIS 105 N -3.09 3.04 0.00 3.18 3.76 -1.26 -0.35 115.29 120.57 2aas s HIS 105 Ca 0.17 1.58 0.08 0.00 -0.15 0.00 0.00 55.06 56.74 2aas s HIS 105 Cb 0.01 -3.27 -0.02 0.00 1.11 0.00 0.00 32.58 30.41 2aas s HIS 105 CO 0.02 -1.14 -0.25 0.96 -0.85 0.00 0.00 174.74 173.49 2aas s ILE 106 N -1.60 1.98 -0.25 0.60 -4.36 -1.26 -0.36 121.20 115.95 2aas s ILE 106 Ca 0.61 -1.15 -0.06 0.00 -0.26 0.00 0.00 60.65 59.79 2aas s ILE 106 Cb -0.26 -1.66 -0.01 0.00 1.25 0.00 0.00 42.46 41.78 2aas s ILE 106 CO 0.31 0.48 0.02 -0.63 0.24 0.00 0.00 174.94 175.37 2aas s ILE 107 N -0.65 3.80 0.02 8.37 1.09 0.73 -2.75 121.20 131.81 2aas s ILE 107 Ca 0.10 -0.45 0.06 0.00 -1.10 0.00 0.00 60.65 59.25 2aas s ILE 107 Cb -0.10 -2.81 -0.03 0.00 -1.06 0.00 0.00 42.46 38.47 2aas s ILE 107 CO 0.00 0.31 -0.14 0.68 -0.10 0.00 0.00 174.94 175.69 2aas s VAL 108 N 1.52 3.07 -0.19 2.92 -7.23 -0.68 -0.98 120.40 118.83 2aas s VAL 108 Ca 0.05 -1.01 -0.18 0.00 -1.81 0.00 0.00 61.98 59.03 2aas s VAL 108 Cb -0.15 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.46 2aas s VAL 108 CO 0.00 0.39 0.50 0.00 -0.31 0.00 0.00 175.10 175.68 2aas s ALA 109 N -0.92 3.54 0.09 1.32 0.00 0.33 -0.65 121.76 125.47 2aas s ALA 109 Ca 0.15 -0.40 0.08 0.00 0.00 0.00 0.00 51.96 51.79 2aas s ALA 109 Cb -0.11 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.21 2aas s ALA 109 CO 0.05 -0.39 -0.22 0.00 0.00 0.00 0.00 175.76 175.21 2aas s GLU 111 N -1.72 0.57 0.00 0.00 -1.05 -0.58 -4.85 118.70 111.06 2aas s GLU 111 Ca 0.08 -0.34 0.00 0.00 -0.15 0.00 0.00 54.97 54.56 2aas s GLU 111 Cb -0.10 0.18 0.00 0.00 -0.44 0.00 0.00 34.13 33.77 2aas s GLU 111 CO 0.04 -0.26 0.00 0.41 0.95 0.00 0.00 175.26 176.40 2aas n GLY 112 N -0.61 -1.66 2.86 -3.83 0.00 -1.26 -0.84 105.19 99.84 2aas n GLY 112 Ca -0.05 -2.06 -0.14 0.00 0.00 0.00 0.00 46.02 43.78 2aas n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2aas s ASN 113 N -4.00 0.77 0.38 1.61 2.47 -1.26 -2.75 114.94 112.16 2aas s ASN 113 Ca 0.00 0.07 -0.25 0.00 0.42 0.00 0.00 52.86 53.10 2aas s ASN 113 Cb 0.00 0.73 -0.09 0.00 -1.45 0.00 0.00 41.25 40.44 2aas s ASN 113 CO 0.00 -0.30 1.08 -2.16 -3.72 0.00 0.00 177.10 171.99 2aas s PRO 114 N 2.43 4.24 -0.43 0.43 0.04 -1.26 -5.03 135.00 135.42 2aas s PRO 114 Ca 0.08 1.61 -0.39 0.00 0.04 0.00 0.00 61.00 62.35 2aas s PRO 114 Cb -0.15 -2.69 -0.15 0.00 0.04 0.00 0.00 34.50 31.55 2aas s PRO 114 CO -0.13 -0.10 2.18 0.98 0.04 0.00 0.00 177.00 179.97 2aas n TYR 115 N 0.19 1.38 -4.86 0.56 9.36 -1.11 -4.94 117.16 117.74 2aas n TYR 115 Ca 0.04 0.49 -0.25 0.00 3.32 0.00 0.00 57.90 61.50 2aas n TYR 115 Cb 0.48 -2.42 -0.16 0.00 -0.63 0.00 0.00 39.34 36.61 2aas n TYR 115 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 2aas s VAL 116 N 6.83 1.42 -0.02 2.97 -7.23 -0.02 -4.91 120.40 119.44 2aas s VAL 116 Ca 1.15 -0.75 -0.30 0.00 -1.81 0.00 0.00 61.98 60.27 2aas s VAL 116 Cb -1.14 -1.19 -0.07 0.00 0.56 0.00 0.00 36.38 34.54 2aas s VAL 116 CO 0.56 0.40 1.91 -2.84 -0.31 0.00 0.00 175.10 174.82 2aas s PRO 117 N -0.31 4.02 -0.17 4.82 0.02 -1.26 -1.53 135.00 140.59 2aas s PRO 117 Ca 0.04 2.41 0.17 0.00 0.02 0.00 0.00 61.00 63.64 2aas s PRO 117 Cb -0.08 -4.14 -0.24 0.00 0.02 0.00 0.00 34.50 30.06 2aas s PRO 117 CO -0.00 -1.07 0.10 1.33 -0.33 0.00 0.00 177.00 177.03 2aas n VAL 118 N 5.82 1.14 -3.90 3.83 0.24 0.78 -4.48 118.33 121.76 2aas n VAL 118 Ca 0.20 -0.75 -0.11 0.00 -2.04 0.00 0.00 64.34 61.64 2aas n VAL 118 Cb 0.42 -0.45 -0.12 0.00 -1.47 0.00 0.00 33.84 32.22 2aas n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2aas s HIS 119 N -2.54 0.07 -0.14 6.34 5.65 -1.06 -3.48 115.29 120.13 2aas s HIS 119 Ca -0.09 -0.14 -0.03 0.00 0.25 0.00 0.00 55.06 55.04 2aas s HIS 119 Cb 0.06 -0.07 -0.03 0.00 -1.18 0.00 0.00 32.58 31.36 2aas s HIS 119 CO 0.77 -0.16 -0.03 0.12 -0.65 0.00 0.00 174.74 174.79 2aas s PHE 120 N -0.86 3.05 -0.01 3.88 2.19 -1.26 -0.51 117.98 124.45 2aas s PHE 120 Ca -0.09 -0.19 -0.02 0.00 0.33 0.00 0.00 56.93 56.95 2aas s PHE 120 Cb -0.06 -1.93 -0.01 0.00 -1.31 0.00 0.00 43.02 39.71 2aas s PHE 120 CO 0.00 0.06 -0.04 -3.47 1.83 0.00 0.00 175.22 173.60 2aas n ASP 121 N 3.29 0.30 -3.87 6.13 -0.08 -0.15 -4.96 116.55 117.20 2aas n ASP 121 Ca -0.17 0.05 -0.10 0.00 -1.51 0.00 0.00 54.79 53.05 2aas n ASP 121 Cb 0.53 -0.36 -0.09 0.00 2.34 0.00 0.00 41.12 43.54 2aas n ASP 121 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2aas s ALA 122 N -2.60 -0.29 -0.14 -1.67 0.00 -1.16 -5.02 121.76 110.87 2aas s ALA 122 Ca -0.03 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.66 2aas s ALA 122 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.34 2aas s ALA 122 CO 0.05 -0.30 -0.18 -1.54 0.00 0.00 0.00 175.76 173.79 2aas s SER 123 N -1.85 3.50 0.00 0.00 1.04 -1.26 -0.19 113.70 114.94 2aas s SER 123 Ca -0.08 -0.50 0.10 0.00 0.48 0.00 0.00 55.95 55.95 2aas s SER 123 Cb -0.03 -1.52 0.08 0.00 0.10 0.00 0.00 66.02 64.64 2aas s SER 123 CO -0.02 0.10 0.81 0.55 0.98 0.00 0.00 173.24 175.66