#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 3.13 0.82 1.64 2.12 -1.26 -4.98 118.70 120.17 2aas s GLU 2 Ca 0.00 -1.62 -0.12 0.00 0.36 0.00 0.00 54.97 53.59 2aas s GLU 2 Cb 0.00 -4.34 0.08 0.00 0.26 0.00 0.00 34.13 30.14 2aas s GLU 2 CO 0.00 -1.46 1.16 0.95 -0.54 0.00 0.00 175.26 175.37 2aas s THR 3 N 2.02 2.22 0.34 -1.70 -4.23 -1.26 -4.95 115.64 108.07 2aas s THR 3 Ca 0.11 0.07 0.05 0.00 -1.18 0.00 0.00 61.69 60.74 2aas s THR 3 Cb -0.23 -3.01 0.30 0.00 1.34 0.00 0.00 72.50 70.90 2aas s THR 3 CO 0.02 -0.09 1.91 0.00 -0.54 0.00 0.00 174.62 175.92 2aas h ALA 4 N -1.11 1.68 -0.63 3.99 0.00 -1.96 -1.76 119.26 119.47 2aas h ALA 4 Ca -0.47 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 2aas h ALA 4 Cb 1.32 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2aas h ALA 4 CO 0.65 0.15 0.25 0.00 0.00 0.00 0.00 179.25 180.30 2aas h ALA 5 N 1.57 0.82 -0.78 0.00 0.00 -1.78 -2.24 119.26 116.86 2aas h ALA 5 Ca 0.39 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.15 2aas h ALA 5 Cb 0.41 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2aas h ALA 5 CO -0.16 0.44 0.51 0.00 0.00 0.00 0.00 179.25 180.05 2aas h ALA 6 N 1.10 1.48 -0.48 0.00 0.00 -1.65 -1.93 119.26 117.78 2aas h ALA 6 Ca 0.21 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2aas h ALA 6 Cb 0.20 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2aas h ALA 6 CO -0.02 0.47 0.14 -0.22 0.00 0.00 0.00 179.25 179.62 2aas h LYS 7 N 1.02 0.76 -0.20 0.00 3.64 -1.04 0.89 116.57 121.64 2aas h LYS 7 Ca 0.29 -0.17 0.06 0.00 -1.27 0.00 0.00 60.65 59.56 2aas h LYS 7 Cb -0.06 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.58 2aas h LYS 7 CO -0.07 0.73 -0.28 0.35 -2.27 0.00 0.00 179.45 177.91 2aas h PHE 8 N 0.65 -0.77 -0.29 1.91 3.57 -1.08 -1.23 116.94 119.70 2aas h PHE 8 Ca 0.15 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.75 2aas h PHE 8 Cb 0.30 0.37 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 2aas h PHE 8 CO 0.02 -0.36 -0.04 0.93 -2.23 0.00 0.00 178.31 176.63 2aas h GLU 9 N -0.31 0.04 -0.51 1.11 5.08 -0.60 0.17 114.58 119.56 2aas h GLU 9 Ca 0.12 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 2aas h GLU 9 Cb 0.50 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 2aas h GLU 9 CO -0.38 0.02 0.28 -0.09 -1.00 0.00 0.00 179.01 177.84 2aas h ARG 10 N 0.04 0.53 0.23 2.33 1.12 -0.65 -1.68 114.38 116.30 2aas h ARG 10 Ca 0.14 -0.03 -0.33 0.00 -1.11 0.00 0.00 59.98 58.65 2aas h ARG 10 Cb 0.20 -0.12 0.03 0.00 -0.01 0.00 0.00 29.97 30.07 2aas h ARG 10 CO -0.27 0.35 -1.51 1.96 -3.11 0.00 0.00 179.97 177.39 2aas h GLN 11 N 0.55 0.49 0.00 0.20 4.20 -0.96 -3.44 115.11 116.15 2aas h GLN 11 Ca 0.22 -0.85 -0.19 0.00 0.06 0.00 0.00 58.65 57.89 2aas h GLN 11 Cb 0.09 0.31 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 2aas h GLN 11 CO -0.13 1.40 -1.72 0.72 -0.67 0.00 0.00 178.83 178.43 2aas n HIS 12 N -3.72 0.00 -2.42 2.96 8.25 0.58 -4.57 115.22 116.30 2aas n HIS 12 Ca -0.19 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.85 2aas n HIS 12 Cb 1.08 -0.49 -0.03 0.00 1.12 0.00 0.00 29.99 31.67 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 -2.25 4.44 -0.28 -0.41 -1.94 -0.64 0.41 119.30 118.62 2aas s MET 13 Ca -0.15 1.77 0.18 0.00 -1.71 0.00 0.00 55.69 55.78 2aas s MET 13 Cb 0.04 -3.34 0.49 0.00 2.01 0.00 0.00 34.83 34.03 2aas s MET 13 CO 0.32 -0.24 1.10 -3.47 -0.01 0.00 0.00 175.02 172.73 2aas n ASP 14 N 3.80 2.41 -0.22 3.03 -0.08 -0.18 -4.86 116.55 120.45 2aas n ASP 14 Ca 0.08 -2.57 0.06 0.00 -1.51 0.00 0.00 54.79 50.86 2aas n ASP 14 Cb 0.46 -0.46 0.32 0.00 2.34 0.00 0.00 41.12 43.78 2aas n ASP 14 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2aas h SER 15 N 2.57 0.74 -0.32 1.67 0.02 -1.73 -0.76 113.55 115.75 2aas h SER 15 Ca -0.01 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 2aas h SER 15 Cb 1.30 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 2aas h SER 15 CO 0.38 0.48 0.22 0.28 -1.14 0.00 0.00 176.83 177.05 2aas h SER 16 N 0.84 0.19 -4.31 3.07 0.02 -1.92 -3.44 113.55 108.01 2aas h SER 16 Ca 0.34 -0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.59 2aas h SER 16 Cb 0.25 -0.04 -0.26 0.00 0.14 0.00 0.00 62.40 62.48 2aas h SER 16 CO -0.12 0.13 -0.85 0.42 -1.14 0.00 0.00 176.83 175.26 2aas s THR 17 N -5.23 2.36 -0.09 -2.27 -4.23 -0.29 -5.05 115.64 100.84 2aas s THR 17 Ca -0.06 -1.17 0.13 0.00 -1.18 0.00 0.00 61.69 59.41 2aas s THR 17 Cb 0.18 -1.90 -0.03 0.00 1.34 0.00 0.00 72.50 72.09 2aas s THR 17 CO 0.71 0.46 1.32 0.28 -0.54 0.00 0.00 174.62 176.85 2aas h SER 18 N 5.05 0.00 -4.41 3.99 0.02 -1.84 -3.43 113.55 112.93 2aas h SER 18 Ca -0.46 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.55 2aas h SER 18 Cb 1.14 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.47 2aas h SER 18 CO 0.46 0.64 0.46 0.00 -1.14 0.00 0.00 176.83 177.25 2aas s ALA 19 N -2.89 -1.87 -0.69 3.77 0.00 -1.26 -4.82 121.76 113.99 2aas s ALA 19 Ca 0.02 1.40 -0.26 0.00 0.00 0.00 0.00 51.96 53.12 2aas s ALA 19 Cb 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 2aas s ALA 19 CO 0.77 -0.41 1.72 0.00 0.00 0.00 0.00 175.76 177.84 2aas s ALA 20 N -1.61 2.27 -2.00 0.00 0.00 -1.26 -4.87 121.76 114.29 2aas s ALA 20 Ca -0.02 -0.99 0.19 0.00 0.00 0.00 0.00 51.96 51.14 2aas s ALA 20 Cb -0.00 -4.33 1.11 0.00 0.00 0.00 0.00 23.12 19.90 2aas s ALA 20 CO 0.01 -3.85 1.53 -1.13 0.00 0.00 0.00 175.76 172.32 2aas n SER 21 N 11.93 0.00 -3.72 0.00 3.41 -1.26 -4.61 113.62 119.37 2aas n SER 21 Ca 0.19 -0.77 -0.14 0.00 -0.26 0.00 0.00 58.87 57.89 2aas n SER 21 Cb 0.51 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.90 -0.33 0.56 4.04 0.15 -1.26 -5.01 113.70 109.95 2aas s SER 22 Ca 0.28 0.43 0.26 0.00 0.70 0.00 0.00 55.95 57.62 2aas s SER 22 Cb 0.13 0.53 1.41 0.00 -1.71 0.00 0.00 66.02 66.39 2aas s SER 22 CO 0.22 -0.35 1.77 0.77 1.20 0.00 0.00 173.24 176.84 2aas h SER 23 N 4.37 0.00 0.00 5.45 4.64 -1.86 -1.92 113.55 124.23 2aas h SER 23 Ca -0.28 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2aas h SER 23 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2aas h SER 23 CO 0.34 0.00 -0.08 0.59 -0.87 0.00 0.00 176.83 176.81 2aas n ASN 24 N -2.66 2.12 -0.08 4.97 4.13 -1.26 -1.37 115.26 121.11 2aas n ASN 24 Ca -0.02 -3.06 -0.06 0.00 1.68 0.00 0.00 54.58 53.12 2aas n ASN 24 Cb 0.34 -0.42 -0.00 0.00 -1.54 0.00 0.00 39.78 38.15 2aas n ASN 24 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2aas h TYR 25 N 0.08 -0.27 -0.09 3.10 3.20 -1.65 -2.41 116.97 118.92 2aas h TYR 25 Ca -0.00 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.93 2aas h TYR 25 Cb 1.04 0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.47 2aas h TYR 25 CO 0.06 -0.18 0.12 0.00 -1.64 0.00 0.00 178.16 176.52 2aas h ASN 27 N 0.00 -1.13 0.16 0.00 4.21 -1.64 0.11 115.58 117.30 2aas h ASN 27 Ca 0.04 0.22 -0.33 0.00 1.21 0.00 0.00 56.30 57.44 2aas h ASN 27 Cb 0.29 0.56 0.00 0.00 -1.12 0.00 0.00 38.32 38.05 2aas h ASN 27 CO -0.00 -0.30 -1.65 -0.61 -1.29 0.00 0.00 177.43 173.58 2aas h GLN 28 N -0.17 0.34 -0.55 0.81 -0.00 -1.76 -3.37 115.11 110.40 2aas h GLN 28 Ca 0.22 -0.58 0.02 0.00 -0.00 0.00 0.00 58.65 58.31 2aas h GLN 28 Cb 0.55 0.22 -0.03 0.00 0.00 0.00 0.00 27.48 28.21 2aas h GLN 28 CO -0.65 1.28 0.34 1.98 0.00 0.00 0.00 178.83 181.78 2aas h MET 29 N -0.03 0.65 -0.99 1.69 4.05 -1.44 -1.84 114.93 117.02 2aas h MET 29 Ca -0.33 -0.04 0.16 0.00 -0.28 0.00 0.00 59.70 59.21 2aas h MET 29 Cb 1.99 -0.15 -0.09 0.00 -0.80 0.00 0.00 31.60 32.54 2aas h MET 29 CO 0.14 0.43 0.62 0.52 0.23 0.00 0.00 176.91 178.85 2aas h MET 30 N 0.67 0.81 0.33 0.39 2.86 -0.97 -1.28 114.93 117.73 2aas h MET 30 Ca 0.22 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 2aas h MET 30 Cb -0.00 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.48 2aas h MET 30 CO -0.09 0.53 -0.16 0.87 1.06 0.00 0.00 176.91 179.13 2aas h LYS 31 N 0.83 -0.43 -0.69 1.72 1.57 -1.51 -2.47 116.57 115.60 2aas h LYS 31 Ca 0.53 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.39 2aas h LYS 31 Cb 0.74 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.11 2aas h LYS 31 CO -0.31 -0.17 0.45 1.03 -0.57 0.00 0.00 179.45 179.88 2aas h SER 32 N -0.64 0.68 -0.29 0.86 0.87 -0.88 -0.26 113.55 113.89 2aas h SER 32 Ca -0.05 -0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.38 2aas h SER 32 Cb 0.46 -0.15 -0.08 0.00 -0.44 0.00 0.00 62.40 62.18 2aas h SER 32 CO 0.07 0.46 0.17 -1.14 -0.53 0.00 0.00 176.83 175.86 2aas n ARG 33 N -4.47 1.52 0.00 2.24 3.00 -0.55 -4.90 116.66 113.51 2aas n ARG 33 Ca 0.09 -0.94 0.00 0.00 -0.00 0.00 0.00 57.85 57.00 2aas n ARG 33 Cb 0.17 -1.43 0.00 0.00 0.00 0.00 0.00 32.46 31.20 2aas n ARG 33 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2aas n ASN 34 N 0.02 0.00 -0.26 6.15 3.02 -0.11 -4.68 115.26 119.41 2aas n ASN 34 Ca 0.17 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.78 2aas n ASN 34 Cb 0.81 -0.10 0.20 0.00 -0.61 0.00 0.00 39.78 40.08 2aas n ASN 34 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2aas h LEU 35 N 0.00 0.19 -2.97 3.41 3.38 -1.58 -2.05 115.31 115.68 2aas h LEU 35 Ca 0.00 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2aas h LEU 35 Cb 0.00 0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2aas h LEU 35 CO 0.00 0.04 0.00 0.35 0.09 0.00 0.00 178.44 178.92 2aas n THR 36 N -5.06 1.30 0.51 0.22 -2.24 -1.15 -4.62 114.28 103.24 2aas n THR 36 Ca 0.15 -1.19 0.05 0.00 -2.27 0.00 0.00 64.05 60.79 2aas n THR 36 Cb 0.46 0.33 0.27 0.00 -2.10 0.00 0.00 70.33 69.29 2aas n THR 36 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2aas n LYS 37 N 0.32 0.14 0.03 -0.78 5.02 -0.77 -3.06 118.16 119.06 2aas n LYS 37 Ca 0.14 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 2aas n LYS 37 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 2aas n LYS 37 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2aas n ASP 38 N -1.31 0.62 -3.90 4.39 2.03 -1.26 -5.08 116.55 112.04 2aas n ASP 38 Ca 0.05 0.09 -0.09 0.00 0.52 0.00 0.00 54.79 55.36 2aas n ASP 38 Cb 0.09 -0.18 -0.08 0.00 -0.72 0.00 0.00 41.12 40.23 2aas n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2aas s ARG 39 N -2.00 0.70 -0.20 -0.67 1.70 -1.17 -5.05 118.95 112.26 2aas s ARG 39 Ca 0.00 -0.84 -0.29 0.00 -0.47 0.00 0.00 55.73 54.12 2aas s ARG 39 Cb 0.00 0.28 -0.03 0.00 -0.57 0.00 0.00 34.95 34.63 2aas s ARG 39 CO 0.00 -0.20 1.56 0.00 -1.08 0.00 0.00 175.30 175.59 2aas s LYS 41 N 4.44 4.46 0.11 0.00 2.20 -1.26 -5.00 119.74 124.69 2aas s LYS 41 Ca 0.69 1.89 -0.25 0.00 -0.36 0.00 0.00 55.97 57.94 2aas s LYS 41 Cb -0.25 -3.25 -0.07 0.00 -1.51 0.00 0.00 37.83 32.74 2aas s LYS 41 CO 0.27 -0.16 1.67 -1.35 -0.36 0.00 0.00 175.35 175.42 2aas h PRO 42 N 5.66 -0.29 -3.15 4.03 0.11 -1.95 -3.42 132.00 132.98 2aas h PRO 42 Ca -0.44 0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.53 2aas h PRO 42 Cb 1.21 0.07 -0.26 0.00 0.11 0.00 0.00 31.00 32.13 2aas h PRO 42 CO 0.77 -0.19 -0.43 0.54 -0.21 0.00 0.00 178.00 178.47 2aas s VAL 43 N -6.12 0.00 0.00 3.15 0.11 -1.26 -0.70 120.40 115.58 2aas s VAL 43 Ca -0.15 -0.01 -0.28 0.00 -2.93 0.00 0.00 61.98 58.61 2aas s VAL 43 Cb 0.08 -0.34 0.08 0.00 -1.53 0.00 0.00 36.38 34.67 2aas s VAL 43 CO 0.66 -0.00 0.73 0.21 -3.33 0.00 0.00 175.10 173.37 2aas s ASN 44 N 0.11 -0.55 -0.11 3.54 2.47 -0.69 -5.04 114.94 114.66 2aas s ASN 44 Ca -0.00 0.37 0.01 0.00 0.42 0.00 0.00 52.86 53.66 2aas s ASN 44 Cb -0.02 0.50 -0.01 0.00 -1.45 0.00 0.00 41.25 40.27 2aas s ASN 44 CO 0.00 -0.68 -0.15 -0.89 -3.72 0.00 0.00 177.10 171.67 2aas s THR 45 N -2.17 2.88 0.13 -5.21 2.01 -1.26 -0.86 115.64 111.16 2aas s THR 45 Ca -0.04 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.21 2aas s THR 45 Cb -0.00 -2.18 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 2aas s THR 45 CO -0.00 0.54 0.32 -0.36 -0.69 0.00 0.00 174.62 174.42 2aas s PHE 46 N 0.18 3.49 -0.24 4.92 0.08 0.95 -4.18 117.98 123.18 2aas s PHE 46 Ca -0.09 0.38 0.01 0.00 0.12 0.00 0.00 56.93 57.35 2aas s PHE 46 Cb -0.15 -1.87 0.06 0.00 -0.57 0.00 0.00 43.02 40.49 2aas s PHE 46 CO 0.05 0.48 -0.04 0.08 -0.10 0.00 0.00 175.22 175.69 2aas s VAL 47 N -1.66 1.51 -0.79 -0.44 1.01 0.17 0.38 120.40 120.58 2aas s VAL 47 Ca 0.38 -1.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 2aas s VAL 47 Cb -0.12 -1.82 0.09 0.00 0.00 0.00 0.00 36.38 34.53 2aas s VAL 47 CO 0.27 -0.16 2.62 1.41 0.00 0.00 0.00 175.10 179.24 2aas n HIS 48 N 4.67 1.98 -4.25 5.22 8.25 0.11 -1.01 115.22 130.19 2aas n HIS 48 Ca -0.11 -2.28 -0.14 0.00 -0.26 0.00 0.00 57.72 54.94 2aas n HIS 48 Cb 0.44 -1.55 -0.10 0.00 1.12 0.00 0.00 29.99 29.90 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 -1.53 1.15 0.66 -0.41 0.41 -1.26 -4.73 118.70 112.99 2aas s GLU 49 Ca 0.57 -1.57 -0.15 0.00 -0.41 0.00 0.00 54.97 53.41 2aas s GLU 49 Cb 0.31 -0.22 0.00 0.00 -1.78 0.00 0.00 34.13 32.44 2aas s GLU 49 CO -0.17 -0.17 1.12 -1.54 -0.49 0.00 0.00 175.26 174.01 2aas s SER 50 N -3.19 5.01 0.26 -0.19 1.04 -1.26 -3.62 113.70 111.75 2aas s SER 50 Ca 0.27 2.06 -0.01 0.00 0.48 0.00 0.00 55.95 58.74 2aas s SER 50 Cb 0.06 -2.56 0.49 0.00 0.10 0.00 0.00 66.02 64.12 2aas s SER 50 CO 0.06 -1.70 1.81 0.25 0.98 0.00 0.00 173.24 174.64 2aas h LEU 51 N 0.05 0.74 -0.56 2.42 5.85 -1.99 -2.36 115.31 119.46 2aas h LEU 51 Ca -0.47 0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.41 2aas h LEU 51 Cb 1.25 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.12 2aas h LEU 51 CO 0.54 0.39 0.07 0.00 -0.34 0.00 0.00 178.44 179.09 2aas h ALA 52 N 1.51 0.61 -0.49 1.25 0.00 -1.99 0.25 119.26 120.40 2aas h ALA 52 Ca 0.45 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.48 2aas h ALA 52 Cb 0.48 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2aas h ALA 52 CO -0.28 -0.34 0.23 -0.44 0.00 0.00 0.00 179.25 178.42 2aas h ASP 53 N 0.20 0.62 0.71 0.00 3.32 -1.82 -2.14 116.42 117.31 2aas h ASP 53 Ca 0.29 -0.06 -0.26 0.00 0.02 0.00 0.00 57.03 57.03 2aas h ASP 53 Cb 0.43 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 2aas h ASP 53 CO -0.41 0.54 -1.40 0.58 -1.72 0.00 0.00 179.24 176.83 2aas h VAL 54 N 0.69 1.23 -0.55 -1.35 2.07 -0.77 -3.02 116.25 114.55 2aas h VAL 54 Ca 0.17 -3.02 0.07 0.00 0.82 0.00 0.00 66.70 64.74 2aas h VAL 54 Cb 0.09 2.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 2aas h VAL 54 CO -0.02 0.71 0.37 1.56 0.02 0.00 0.00 177.57 180.20 2aas h GLN 55 N 0.00 0.46 0.00 1.57 4.20 -0.40 -1.48 115.11 119.46 2aas h GLN 55 Ca -0.16 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.52 2aas h GLN 55 Cb 1.91 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.58 2aas h GLN 55 CO 0.10 0.30 0.00 0.00 -0.67 0.00 0.00 178.83 178.56 2aas h ALA 56 N 1.71 1.00 0.04 3.87 0.00 -1.25 -1.44 119.26 123.18 2aas h ALA 56 Ca 0.24 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.90 2aas h ALA 56 Cb 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2aas h ALA 56 CO -0.07 0.00 -1.26 0.28 0.00 0.00 0.00 179.25 178.21 2aas h VAL 57 N 0.00 1.43 0.00 0.00 2.07 -1.34 -3.26 116.25 115.15 2aas h VAL 57 Ca 0.00 -3.13 -0.01 0.00 0.82 0.00 0.00 66.70 64.38 2aas h VAL 57 Cb 0.05 2.77 -0.00 0.00 -1.52 0.00 0.00 31.29 32.59 2aas h VAL 57 CO 0.00 0.85 -0.05 0.00 0.02 0.00 0.00 177.57 178.39 2aas n SER 59 N -3.38 5.16 0.00 0.00 3.41 -1.22 -4.94 113.62 112.65 2aas n SER 59 Ca -0.02 -3.11 0.00 0.00 -0.26 0.00 0.00 58.87 55.48 2aas n SER 59 Cb 0.20 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 2aas n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aas n GLN 60 N 0.13 3.84 -2.77 4.33 6.02 -0.48 -5.08 117.38 123.37 2aas n GLN 60 Ca 0.35 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.92 2aas n GLN 60 Cb 1.30 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 32.53 2aas n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2aas s LYS 61 N 2.24 4.29 0.31 -1.09 2.47 -1.24 -4.82 119.74 121.90 2aas s LYS 61 Ca 0.00 1.20 -0.29 0.00 -1.56 0.00 0.00 55.97 55.32 2aas s LYS 61 Cb 0.00 -3.60 -0.11 0.00 -1.46 0.00 0.00 37.83 32.66 2aas s LYS 61 CO 0.00 -0.47 1.47 1.21 0.16 0.00 0.00 175.35 177.73 2aas s ASN 62 N 1.19 6.50 0.29 1.43 3.84 -1.26 -1.43 114.94 125.50 2aas s ASN 62 Ca 0.42 2.86 0.04 0.00 0.21 0.00 0.00 52.86 56.39 2aas s ASN 62 Cb -0.16 -2.64 -0.03 0.00 -0.55 0.00 0.00 41.25 37.86 2aas s ASN 62 CO 0.10 -0.78 0.21 0.68 -2.79 0.00 0.00 177.10 174.52 2aas s VAL 63 N -0.55 0.06 0.05 -5.21 -7.23 0.09 -4.93 120.40 102.68 2aas s VAL 63 Ca 0.56 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.53 2aas s VAL 63 Cb -0.44 -2.50 -0.06 0.00 0.56 0.00 0.00 36.38 33.94 2aas s VAL 63 CO 0.52 0.00 0.60 0.00 -0.31 0.00 0.00 175.10 175.91 2aas s ALA 64 N -3.69 3.53 0.95 1.32 0.00 -1.26 -2.93 121.76 119.68 2aas s ALA 64 Ca 0.39 0.06 -0.12 0.00 0.00 0.00 0.00 51.96 52.29 2aas s ALA 64 Cb 0.04 -2.71 0.16 0.00 0.00 0.00 0.00 23.12 20.61 2aas s ALA 64 CO 0.21 0.29 1.10 0.00 0.00 0.00 0.00 175.76 177.36 2aas h LYS 66 N -1.69 0.45 -0.64 0.00 1.79 -1.94 0.98 116.57 115.51 2aas h LYS 66 Ca -0.52 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 57.92 2aas h LYS 66 Cb 1.31 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 2aas h LYS 66 CO 0.57 0.30 0.00 0.27 -1.08 0.00 0.00 179.45 179.51 2aas n ASN 67 N -4.72 4.07 0.00 0.86 6.94 -1.26 -4.95 115.26 116.20 2aas n ASN 67 Ca 0.26 -2.30 0.00 0.00 -0.02 0.00 0.00 54.58 52.52 2aas n ASN 67 Cb 0.83 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 37.74 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 1.17 3.28 3.76 4.83 0.00 0.34 -5.04 105.19 113.52 2aas n GLY 68 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.94 4.41 -0.94 1.61 -0.44 -1.26 -4.29 119.66 117.81 2aas s GLN 69 Ca 0.00 2.10 -0.03 0.00 -2.50 0.00 0.00 55.36 54.94 2aas s GLN 69 Cb 0.00 -3.13 0.23 0.00 -1.64 0.00 0.00 33.01 28.47 2aas s GLN 69 CO 0.00 -0.15 2.18 -2.37 0.50 0.00 0.00 175.29 175.45 2aas n THR 70 N 1.51 4.74 -1.65 -0.34 5.66 -1.26 0.03 114.28 122.98 2aas n THR 70 Ca 0.02 -4.61 0.06 0.00 -3.05 0.00 0.00 64.05 56.47 2aas n THR 70 Cb 0.42 -1.59 0.13 0.00 -1.55 0.00 0.00 70.33 67.74 2aas n THR 70 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2aas n ASN 71 N 0.38 1.56 -4.55 1.09 6.94 -1.25 -4.85 115.26 114.59 2aas n ASN 71 Ca 0.53 -3.10 -0.30 0.00 -0.02 0.00 0.00 54.58 51.69 2aas n ASN 71 Cb 0.30 -0.42 -0.10 0.00 -2.36 0.00 0.00 39.78 37.20 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 -1.17 0.34 0.04 0.00 1.51 -0.44 -0.73 117.35 116.90 2aas s TYR 73 Ca 0.20 -0.18 0.03 0.00 -1.01 0.00 0.00 57.07 56.10 2aas s TYR 73 Cb -0.11 -0.21 -0.04 0.00 -0.11 0.00 0.00 41.96 41.49 2aas s TYR 73 CO 0.12 -0.04 0.03 -1.14 -1.11 0.00 0.00 175.55 173.41 2aas s GLN 74 N -0.48 2.76 -0.07 -0.62 0.74 -0.52 -2.24 119.66 119.23 2aas s GLN 74 Ca -0.03 -0.69 -0.21 0.00 0.05 0.00 0.00 55.36 54.48 2aas s GLN 74 Cb -0.04 -2.66 -0.04 0.00 1.10 0.00 0.00 33.01 31.37 2aas s GLN 74 CO -0.00 0.59 0.61 -1.54 -0.55 0.00 0.00 175.29 174.40 2aas s SER 75 N -2.00 6.90 0.18 6.67 1.04 -0.94 -3.64 113.70 121.91 2aas s SER 75 Ca 0.24 1.08 0.24 0.00 0.48 0.00 0.00 55.95 57.99 2aas s SER 75 Cb -0.12 -2.37 0.91 0.00 0.10 0.00 0.00 66.02 64.54 2aas s SER 75 CO 0.16 -0.03 1.74 -1.22 0.98 0.00 0.00 173.24 174.86 2aas n TYR 76 N 3.50 0.67 -4.02 5.02 4.01 -1.26 -4.47 117.16 120.62 2aas n TYR 76 Ca -0.04 0.23 -0.31 0.00 -0.16 0.00 0.00 57.90 57.62 2aas n TYR 76 Cb 0.51 -0.87 -0.06 0.00 -0.31 0.00 0.00 39.34 38.62 2aas n TYR 76 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2aas s SER 77 N -4.07 5.74 0.40 7.72 1.04 -1.26 -5.11 113.70 118.16 2aas s SER 77 Ca 0.08 0.06 -0.24 0.00 0.48 0.00 0.00 55.95 56.33 2aas s SER 77 Cb 0.12 -1.60 -0.09 0.00 0.10 0.00 0.00 66.02 64.55 2aas s SER 77 CO 0.47 0.17 1.10 0.42 0.98 0.00 0.00 173.24 176.38 2aas s THR 78 N -1.42 3.49 0.09 2.02 -4.23 -1.26 -4.59 115.64 109.73 2aas s THR 78 Ca 0.31 1.18 0.09 0.00 -1.18 0.00 0.00 61.69 62.09 2aas s THR 78 Cb -0.12 -3.63 -0.03 0.00 1.34 0.00 0.00 72.50 70.06 2aas s THR 78 CO 0.24 0.04 -0.25 -0.04 -0.54 0.00 0.00 174.62 174.07 2aas s MET 79 N -2.43 1.45 -0.55 3.99 -1.94 0.70 -4.80 119.30 115.73 2aas s MET 79 Ca 0.58 -1.18 -0.27 0.00 -1.71 0.00 0.00 55.69 53.11 2aas s MET 79 Cb -0.25 -1.75 -0.02 0.00 2.01 0.00 0.00 34.83 34.81 2aas s MET 79 CO 0.32 0.43 1.87 0.45 -0.01 0.00 0.00 175.02 178.08 2aas s SER 80 N -1.65 5.36 0.05 3.03 0.15 -1.26 -1.37 113.70 118.01 2aas s SER 80 Ca 0.11 0.56 0.09 0.00 0.70 0.00 0.00 55.95 57.41 2aas s SER 80 Cb -0.10 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.66 2aas s SER 80 CO 0.04 -2.27 -0.26 0.27 1.20 0.00 0.00 173.24 172.22 2aas s ILE 81 N 8.78 2.14 -0.36 6.45 -5.25 -0.35 -0.72 121.20 131.88 2aas s ILE 81 Ca 0.71 -1.42 0.02 0.00 -0.99 0.00 0.00 60.65 58.96 2aas s ILE 81 Cb -0.15 -1.83 0.10 0.00 2.95 0.00 0.00 42.46 43.53 2aas s ILE 81 CO 0.24 0.33 0.10 -0.89 -1.79 0.00 0.00 174.94 172.93 2aas s THR 82 N -0.83 2.62 -0.18 8.37 2.01 0.16 -0.99 115.64 126.81 2aas s THR 82 Ca 0.12 -2.25 -0.25 0.00 0.31 0.00 0.00 61.69 59.62 2aas s THR 82 Cb -0.10 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 2aas s THR 82 CO 0.02 -0.63 0.81 -1.81 -0.69 0.00 0.00 174.62 172.32 2aas s ASP 83 N 1.22 6.92 -0.16 3.53 1.11 0.01 -0.03 116.67 129.27 2aas s ASP 83 Ca 0.10 1.13 0.00 0.00 0.18 0.00 0.00 52.55 53.96 2aas s ASP 83 Cb -0.20 -2.44 0.03 0.00 1.07 0.00 0.00 42.92 41.38 2aas s ASP 83 CO -0.07 -0.39 -0.11 0.00 1.18 0.00 0.00 175.17 175.78 2aas s ARG 85 N 1.51 1.52 0.15 0.00 3.52 -0.73 -1.71 118.95 123.21 2aas s ARG 85 Ca 0.03 -0.60 -0.31 0.00 -0.13 0.00 0.00 55.73 54.72 2aas s ARG 85 Cb -0.14 -1.41 -0.09 0.00 -1.56 0.00 0.00 34.95 31.76 2aas s ARG 85 CO -0.09 0.31 1.43 -2.00 -0.81 0.00 0.00 175.30 174.14 2aas s GLU 86 N -0.22 4.30 0.26 5.12 2.12 0.12 0.14 118.70 130.54 2aas s GLU 86 Ca 0.02 2.17 0.08 0.00 0.36 0.00 0.00 54.97 57.60 2aas s GLU 86 Cb -0.08 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 2aas s GLU 86 CO 0.00 -0.45 0.13 -0.08 -0.54 0.00 0.00 175.26 174.33 2aas s THR 87 N 0.84 4.04 0.57 -1.70 -1.32 -0.58 -4.83 115.64 112.66 2aas s THR 87 Ca 0.64 -1.59 0.28 0.00 -1.21 0.00 0.00 61.69 59.81 2aas s THR 87 Cb -0.39 -3.19 0.38 0.00 -1.51 0.00 0.00 72.50 67.79 2aas s THR 87 CO 0.33 -0.35 1.98 1.23 -2.21 0.00 0.00 174.62 175.60 2aas h GLY 88 N 1.62 0.00 -1.53 6.08 0.00 -1.97 -2.51 103.07 104.77 2aas h GLY 88 Ca -0.47 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2aas h GLY 88 CO 0.61 0.00 0.02 -1.14 0.00 0.00 0.00 176.54 176.02 2aas n SER 89 N -3.91 1.94 -4.40 0.19 3.41 -1.26 -4.75 113.62 104.83 2aas n SER 89 Ca 0.07 -2.14 -0.42 0.00 -0.26 0.00 0.00 58.87 56.11 2aas n SER 89 Cb 0.56 -0.53 -0.00 0.00 -0.26 0.00 0.00 64.21 63.97 2aas n SER 89 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2aas n SER 90 N 0.12 4.64 -4.17 4.04 3.41 -0.94 -4.37 113.62 116.35 2aas n SER 90 Ca 0.05 -2.89 -0.40 0.00 -0.26 0.00 0.00 58.87 55.36 2aas n SER 90 Cb 0.44 -1.73 -0.07 0.00 -0.26 0.00 0.00 64.21 62.59 2aas n SER 90 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2aas s LYS 91 N 4.11 2.92 -0.09 4.33 1.02 -0.10 -4.80 119.74 127.12 2aas s LYS 91 Ca 0.53 -2.52 -0.41 0.00 0.02 0.00 0.00 55.97 53.59 2aas s LYS 91 Cb 0.06 -3.96 -0.20 0.00 -0.52 0.00 0.00 37.83 33.21 2aas s LYS 91 CO 0.05 -1.21 1.20 0.98 -0.92 0.00 0.00 175.35 175.45 2aas n TYR 92 N 3.62 0.93 0.53 3.18 9.36 -1.26 -0.43 117.16 133.09 2aas n TYR 92 Ca 0.10 1.04 0.13 0.00 3.32 0.00 0.00 57.90 62.49 2aas n TYR 92 Cb 0.41 -2.14 0.45 0.00 -0.63 0.00 0.00 39.34 37.43 2aas n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2aas n PRO 93 N 2.11 0.23 -2.71 2.98 -0.04 -1.26 -4.99 135.00 131.32 2aas n PRO 93 Ca 0.22 0.31 -0.43 0.00 -0.04 0.00 0.00 63.50 63.56 2aas n PRO 93 Cb 0.06 -1.83 -0.00 0.00 -0.04 0.00 0.00 33.50 31.69 2aas n PRO 93 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2aas s ASN 94 N -4.39 6.92 0.14 3.54 2.47 0.42 -4.95 114.94 119.09 2aas s ASN 94 Ca 0.08 -2.62 -0.30 0.00 0.42 0.00 0.00 52.86 50.43 2aas s ASN 94 Cb 0.11 -2.52 -0.07 0.00 -1.45 0.00 0.00 41.25 37.33 2aas s ASN 94 CO 0.50 -1.03 1.01 0.00 -3.72 0.00 0.00 177.10 173.87 2aas s ALA 96 N -0.12 1.96 0.02 0.00 0.00 -1.26 -4.42 121.76 117.94 2aas s ALA 96 Ca 0.48 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.63 2aas s ALA 96 Cb -0.26 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 2aas s ALA 96 CO 0.32 0.27 -0.15 0.71 0.00 0.00 0.00 175.76 176.91 2aas s TYR 97 N 0.33 1.29 -0.63 0.00 1.51 -1.26 -1.52 117.35 117.06 2aas s TYR 97 Ca -0.16 -0.32 -0.26 0.00 -1.01 0.00 0.00 57.07 55.33 2aas s TYR 97 Cb -0.17 -0.79 0.04 0.00 -0.11 0.00 0.00 41.96 40.94 2aas s TYR 97 CO 0.07 0.02 1.10 0.15 -1.11 0.00 0.00 175.55 175.79 2aas s LYS 98 N -0.89 3.29 -0.19 -0.62 1.02 0.12 -4.44 119.74 118.03 2aas s LYS 98 Ca 0.03 -0.25 -0.10 0.00 0.02 0.00 0.00 55.97 55.67 2aas s LYS 98 Cb -0.07 -4.12 -0.05 0.00 -0.52 0.00 0.00 37.83 33.07 2aas s LYS 98 CO 0.01 -1.79 0.14 0.99 -0.92 0.00 0.00 175.35 173.78 2aas s THR 99 N 4.73 5.41 -0.12 2.17 2.01 -0.47 -1.78 115.64 127.58 2aas s THR 99 Ca 0.33 0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.57 2aas s THR 99 Cb -0.11 -3.48 0.01 0.00 0.01 0.00 0.00 72.50 68.93 2aas s THR 99 CO 0.18 0.45 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.48 2aas s THR 100 N 0.28 1.74 -0.35 -0.82 2.01 -0.04 -4.53 115.64 113.93 2aas s THR 100 Ca 0.09 -0.79 -0.18 0.00 0.31 0.00 0.00 61.69 61.13 2aas s THR 100 Cb -0.11 -1.57 -0.00 0.00 0.01 0.00 0.00 72.50 70.83 2aas s THR 100 CO -0.01 0.49 0.50 -1.58 -0.69 0.00 0.00 174.62 173.33 2aas s GLN 101 N 0.94 3.61 -0.00 4.92 -0.44 -1.26 -0.81 119.66 126.61 2aas s GLN 101 Ca -0.06 -0.19 0.04 0.00 -2.50 0.00 0.00 55.36 52.65 2aas s GLN 101 Cb -0.15 -3.81 -0.01 0.00 -1.64 0.00 0.00 33.01 27.40 2aas s GLN 101 CO -0.02 -0.64 -0.13 0.00 0.50 0.00 0.00 175.29 175.00 2aas s ALA 102 N 2.36 1.06 -0.70 1.58 0.00 -0.16 -5.02 121.76 120.88 2aas s ALA 102 Ca 0.18 -0.59 -0.13 0.00 0.00 0.00 0.00 51.96 51.43 2aas s ALA 102 Cb -0.16 -0.25 0.18 0.00 0.00 0.00 0.00 23.12 22.89 2aas s ALA 102 CO 0.13 0.25 0.62 -0.80 0.00 0.00 0.00 175.76 175.96 2aas s ASN 103 N -0.43 6.34 0.14 0.00 0.01 -1.26 -1.22 114.94 118.51 2aas s ASN 103 Ca 0.04 -2.42 0.05 0.00 -0.71 0.00 0.00 52.86 49.82 2aas s ASN 103 Cb -0.05 -2.15 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 2aas s ASN 103 CO -0.00 -0.63 -0.11 -0.54 -1.51 0.00 0.00 177.10 174.31 2aas s LYS 104 N 0.60 1.03 0.28 -0.60 1.02 -0.47 -4.69 119.74 116.91 2aas s LYS 104 Ca 0.13 -1.37 -0.27 0.00 0.02 0.00 0.00 55.97 54.48 2aas s LYS 104 Cb -0.18 -0.67 -0.09 0.00 -0.52 0.00 0.00 37.83 36.37 2aas s LYS 104 CO -0.05 0.10 0.93 -1.01 -0.92 0.00 0.00 175.35 174.40 2aas s HIS 105 N -2.96 3.81 -0.01 3.18 3.76 -1.26 -0.22 115.29 121.59 2aas s HIS 105 Ca 0.14 1.81 0.04 0.00 -0.15 0.00 0.00 55.06 56.90 2aas s HIS 105 Cb 0.00 -2.93 -0.03 0.00 1.11 0.00 0.00 32.58 30.73 2aas s HIS 105 CO 0.01 0.32 -0.13 0.96 -0.85 0.00 0.00 174.74 175.05 2aas s ILE 106 N -1.44 3.20 -0.34 0.60 -4.36 -1.26 0.40 121.20 117.99 2aas s ILE 106 Ca 0.46 -0.86 -0.06 0.00 -0.26 0.00 0.00 60.65 59.93 2aas s ILE 106 Cb -0.21 -2.33 0.04 0.00 1.25 0.00 0.00 42.46 41.21 2aas s ILE 106 CO 0.27 0.46 0.11 -0.63 0.24 0.00 0.00 174.94 175.39 2aas s ILE 107 N -0.87 3.77 -0.10 8.37 1.01 0.86 -2.23 121.20 132.01 2aas s ILE 107 Ca 0.14 -1.18 -0.00 0.00 0.00 0.00 0.00 60.65 59.61 2aas s ILE 107 Cb -0.11 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 2aas s ILE 107 CO 0.04 -0.21 -0.08 0.68 0.00 0.00 0.00 174.94 175.37 2aas s VAL 108 N 1.39 3.56 -0.20 2.92 -7.23 -0.95 -1.50 120.40 118.39 2aas s VAL 108 Ca -0.01 -0.51 -0.25 0.00 -1.81 0.00 0.00 61.98 59.40 2aas s VAL 108 Cb -0.20 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 2aas s VAL 108 CO 0.02 0.56 0.85 0.00 -0.31 0.00 0.00 175.10 176.22 2aas s ALA 109 N -0.27 3.57 -0.02 1.32 0.00 0.44 -1.32 121.76 125.49 2aas s ALA 109 Ca 0.03 -0.00 0.06 0.00 0.00 0.00 0.00 51.96 52.05 2aas s ALA 109 Cb -0.13 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 2aas s ALA 109 CO 0.03 -0.76 -0.20 0.00 0.00 0.00 0.00 175.76 174.82 2aas s GLU 111 N -0.44 1.65 0.02 0.00 0.41 -0.08 -4.90 118.70 115.37 2aas s GLU 111 Ca 0.07 -0.91 0.00 0.00 -0.41 0.00 0.00 54.97 53.72 2aas s GLU 111 Cb -0.08 0.59 0.00 0.00 -1.78 0.00 0.00 34.13 32.86 2aas s GLU 111 CO -0.00 -0.74 0.00 0.41 -0.49 0.00 0.00 175.26 174.43 2aas n GLY 112 N -0.43 -2.24 2.73 -1.39 0.00 -1.26 -1.18 105.19 101.42 2aas n GLY 112 Ca -0.07 -2.05 -0.19 0.00 0.00 0.00 0.00 46.02 43.71 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 -3.18 1.53 0.79 1.61 2.47 -1.26 -3.42 114.94 113.47 2aas s ASN 113 Ca 0.00 -0.30 -0.11 0.00 0.42 0.00 0.00 52.86 52.87 2aas s ASN 113 Cb 0.00 0.31 0.07 0.00 -1.45 0.00 0.00 41.25 40.17 2aas s ASN 113 CO 0.00 -0.33 1.11 -2.16 -3.72 0.00 0.00 177.10 171.99 2aas s PRO 114 N 2.30 2.06 -0.23 0.43 0.04 -1.26 -5.06 135.00 133.28 2aas s PRO 114 Ca 0.06 1.28 -0.29 0.00 0.04 0.00 0.00 61.00 62.10 2aas s PRO 114 Cb -0.16 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 2aas s PRO 114 CO -0.13 -1.81 1.41 -0.47 0.04 0.00 0.00 177.00 176.05 2aas s TYR 115 N -2.77 2.49 0.03 0.56 5.04 -1.22 -4.98 117.35 116.51 2aas s TYR 115 Ca 0.63 0.75 0.04 0.00 -2.44 0.00 0.00 57.07 56.05 2aas s TYR 115 Cb -0.19 -3.85 -0.02 0.00 0.35 0.00 0.00 41.96 38.25 2aas s TYR 115 CO 0.55 -2.22 -0.12 0.14 -1.34 0.00 0.00 175.55 172.56 2aas s VAL 116 N 4.44 0.90 0.04 3.14 -7.23 -0.32 -4.83 120.40 116.52 2aas s VAL 116 Ca 0.62 -0.92 -0.30 0.00 -1.81 0.00 0.00 61.98 59.56 2aas s VAL 116 Cb -0.21 -0.84 -0.08 0.00 0.56 0.00 0.00 36.38 35.80 2aas s VAL 116 CO 0.24 -0.07 1.85 -2.16 -0.31 0.00 0.00 175.10 174.65 2aas s PRO 117 N -1.11 4.15 -0.20 4.82 0.04 -1.26 -0.90 135.00 140.53 2aas s PRO 117 Ca -0.01 2.50 0.13 0.00 0.04 0.00 0.00 61.00 63.66 2aas s PRO 117 Cb -0.08 -3.98 -0.22 0.00 0.04 0.00 0.00 34.50 30.27 2aas s PRO 117 CO 0.01 -0.89 -0.01 1.33 0.04 0.00 0.00 177.00 177.47 2aas n VAL 118 N 5.33 1.34 -3.98 -0.36 0.24 0.90 -4.45 118.33 117.35 2aas n VAL 118 Ca 0.19 -0.74 -0.09 0.00 -2.04 0.00 0.00 64.34 61.66 2aas n VAL 118 Cb 0.41 -0.73 -0.10 0.00 -1.47 0.00 0.00 33.84 31.95 2aas n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2aas s HIS 119 N -2.47 0.27 -0.09 6.34 3.76 -1.01 -2.96 115.29 119.13 2aas s HIS 119 Ca -0.16 -0.59 -0.01 0.00 -0.15 0.00 0.00 55.06 54.16 2aas s HIS 119 Cb 0.06 -0.20 -0.03 0.00 1.11 0.00 0.00 32.58 33.52 2aas s HIS 119 CO 0.72 -0.28 -0.05 0.12 -0.85 0.00 0.00 174.74 174.41 2aas s PHE 120 N -2.17 3.00 0.00 1.40 2.19 -1.26 -0.42 117.98 120.72 2aas s PHE 120 Ca -0.09 -0.03 0.00 0.00 0.33 0.00 0.00 56.93 57.14 2aas s PHE 120 Cb -0.04 -1.79 0.00 0.00 -1.31 0.00 0.00 43.02 39.88 2aas s PHE 120 CO -0.03 0.27 0.00 -0.25 1.83 0.00 0.00 175.22 177.03 2aas n ASP 121 N 2.53 0.00 -4.17 6.13 9.92 -0.56 -4.95 116.55 125.44 2aas n ASP 121 Ca -0.18 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 53.84 2aas n ASP 121 Cb 0.53 -0.01 -0.15 0.00 -0.64 0.00 0.00 41.12 40.85 2aas n ASP 121 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2aas s ALA 122 N -2.23 1.43 -0.31 2.24 0.00 -1.20 -4.99 121.76 116.69 2aas s ALA 122 Ca 0.00 -0.81 -0.06 0.00 0.00 0.00 0.00 51.96 51.09 2aas s ALA 122 Cb 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.82 2aas s ALA 122 CO 0.00 0.33 0.07 -1.54 0.00 0.00 0.00 175.76 174.62 2aas s SER 123 N -0.68 5.11 0.00 0.00 1.04 -1.26 -0.10 113.70 117.81 2aas s SER 123 Ca 0.06 -0.90 0.31 0.00 0.48 0.00 0.00 55.95 55.90 2aas s SER 123 Cb -0.07 -1.85 1.73 0.00 0.10 0.00 0.00 66.02 65.93 2aas s SER 123 CO 0.00 -0.24 2.13 0.52 0.98 0.00 0.00 173.24 176.63