#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 2.96 0.51 1.64 2.12 -1.26 -4.88 118.70 119.80 2aas s GLU 2 Ca 0.00 0.09 0.09 0.00 0.36 0.00 0.00 54.97 55.51 2aas s GLU 2 Cb 0.00 -4.29 0.06 0.00 0.26 0.00 0.00 34.13 30.16 2aas s GLU 2 CO 0.00 -2.40 0.70 0.95 -0.54 0.00 0.00 175.26 173.98 2aas s THR 3 N 7.11 2.49 0.39 -1.70 -4.23 -1.26 -5.01 115.64 113.43 2aas s THR 3 Ca 0.48 -1.00 0.13 0.00 -1.18 0.00 0.00 61.69 60.12 2aas s THR 3 Cb -0.10 -2.49 0.34 0.00 1.34 0.00 0.00 72.50 71.60 2aas s THR 3 CO 0.17 0.00 1.89 0.00 -0.54 0.00 0.00 174.62 176.14 2aas h ALA 4 N 0.36 2.00 -0.95 3.99 0.00 -1.92 -1.30 119.26 121.44 2aas h ALA 4 Ca -0.34 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.63 2aas h ALA 4 Cb 1.29 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 2aas h ALA 4 CO 0.42 -0.23 0.61 0.00 0.00 0.00 0.00 179.25 180.06 2aas h ALA 5 N 1.62 1.30 -0.80 0.00 0.00 -1.77 -1.55 119.26 118.06 2aas h ALA 5 Ca 0.42 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 2aas h ALA 5 Cb 0.84 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2aas h ALA 5 CO -0.17 0.43 0.31 0.00 0.00 0.00 0.00 179.25 179.83 2aas h ALA 6 N 1.42 1.04 -0.58 0.00 0.00 -1.55 -2.31 119.26 117.27 2aas h ALA 6 Ca 0.40 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2aas h ALA 6 Cb 0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2aas h ALA 6 CO -0.15 0.67 0.31 -0.22 0.00 0.00 0.00 179.25 179.86 2aas h LYS 7 N 1.16 0.82 -0.26 0.00 3.64 -1.15 -0.25 116.57 120.53 2aas h LYS 7 Ca 0.26 -0.10 0.06 0.00 -1.27 0.00 0.00 60.65 59.61 2aas h LYS 7 Cb 0.23 -0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 31.82 2aas h LYS 7 CO -0.02 0.64 -0.25 0.35 -2.27 0.00 0.00 179.45 177.90 2aas h PHE 8 N 0.79 -0.67 -0.36 1.91 3.57 -1.15 -1.16 116.94 119.86 2aas h PHE 8 Ca 0.20 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.81 2aas h PHE 8 Cb 0.07 0.33 -0.06 0.00 2.79 0.00 0.00 35.95 39.08 2aas h PHE 8 CO -0.01 -0.33 -0.01 0.93 -2.23 0.00 0.00 178.31 176.66 2aas h GLU 9 N -0.25 0.08 0.25 1.11 5.08 -0.85 0.53 114.58 120.54 2aas h GLU 9 Ca 0.14 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2aas h GLU 9 Cb 0.47 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 2aas h GLU 9 CO -0.41 0.05 -0.30 0.00 -1.00 0.00 0.00 179.01 177.36 2aas h ARG 10 N 0.09 -0.58 -0.26 2.33 3.08 -0.66 0.49 114.38 118.86 2aas h ARG 10 Ca 0.18 0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.18 2aas h ARG 10 Cb 0.25 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2aas h ARG 10 CO -0.31 -0.39 -0.20 1.96 -1.07 0.00 0.00 179.97 179.96 2aas h GLN 11 N -0.61 0.47 0.00 0.04 4.20 -0.96 -3.41 115.11 114.84 2aas h GLN 11 Ca -0.00 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.51 2aas h GLN 11 Cb 0.57 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 2aas h GLN 11 CO -0.09 0.65 -1.15 0.72 -0.67 0.00 0.00 178.83 178.29 2aas n HIS 12 N -4.16 0.00 -3.01 2.96 8.25 0.15 -4.58 115.22 114.84 2aas n HIS 12 Ca -0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 2aas n HIS 12 Cb 0.37 -0.10 -0.06 0.00 1.12 0.00 0.00 29.99 31.32 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 -2.05 3.38 -0.46 -0.41 -1.94 0.15 0.23 119.30 118.20 2aas s MET 13 Ca -0.04 -0.17 0.04 0.00 -1.71 0.00 0.00 55.69 53.81 2aas s MET 13 Cb 0.01 -3.94 0.43 0.00 2.01 0.00 0.00 34.83 33.34 2aas s MET 13 CO 0.06 -1.08 1.38 -0.25 -0.01 0.00 0.00 175.02 175.12 2aas n ASP 14 N 6.57 5.55 -0.10 3.03 9.92 -0.69 -4.83 116.55 136.01 2aas n ASP 14 Ca 0.01 -3.76 0.15 0.00 -0.53 0.00 0.00 54.79 50.66 2aas n ASP 14 Cb 0.48 -0.56 0.53 0.00 -0.64 0.00 0.00 41.12 40.94 2aas n ASP 14 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2aas h SER 15 N 2.39 0.32 -0.12 -2.24 0.02 -1.76 0.13 113.55 112.30 2aas h SER 15 Ca 0.40 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 2aas h SER 15 Cb 1.04 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 2aas h SER 15 CO 0.99 0.18 0.08 0.77 -1.14 0.00 0.00 176.83 177.70 2aas h SER 16 N 0.34 0.14 -3.73 3.07 4.64 -1.90 -3.43 113.55 112.68 2aas h SER 16 Ca 0.31 -0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.95 2aas h SER 16 Cb 0.74 -0.03 -0.28 0.00 -0.31 0.00 0.00 62.40 62.52 2aas h SER 16 CO -0.08 0.11 -0.81 0.42 -0.87 0.00 0.00 176.83 175.59 2aas s THR 17 N -5.19 2.67 -0.54 2.95 -4.23 0.03 -5.03 115.64 106.31 2aas s THR 17 Ca -0.06 -0.83 0.24 0.00 -1.18 0.00 0.00 61.69 59.86 2aas s THR 17 Cb 0.17 -2.05 0.32 0.00 1.34 0.00 0.00 72.50 72.28 2aas s THR 17 CO 0.69 0.56 1.67 -1.28 -0.54 0.00 0.00 174.62 175.72 2aas h SER 18 N 6.13 0.00 -4.58 3.99 0.87 -1.83 -3.43 113.55 114.70 2aas h SER 18 Ca -0.33 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.29 2aas h SER 18 Cb 1.19 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.97 2aas h SER 18 CO 0.51 0.00 0.43 0.00 -0.53 0.00 0.00 176.83 177.24 2aas s ALA 19 N -3.18 -1.82 -0.29 6.23 0.00 -1.26 -4.84 121.76 116.60 2aas s ALA 19 Ca 0.08 1.17 -0.29 0.00 0.00 0.00 0.00 51.96 52.93 2aas s ALA 19 Cb 0.08 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 2aas s ALA 19 CO 0.64 -0.54 1.68 0.00 0.00 0.00 0.00 175.76 177.54 2aas s ALA 20 N -2.31 3.07 0.48 0.00 0.00 -1.26 -4.93 121.76 116.81 2aas s ALA 20 Ca 0.00 0.32 0.21 0.00 0.00 0.00 0.00 51.96 52.49 2aas s ALA 20 Cb -0.01 -3.93 1.31 0.00 0.00 0.00 0.00 23.12 20.49 2aas s ALA 20 CO -0.03 -2.29 2.08 0.66 0.00 0.00 0.00 175.76 176.18 2aas h SER 21 N 11.67 0.00 -5.25 0.00 4.64 -1.99 -3.44 113.55 119.18 2aas h SER 21 Ca -0.33 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.90 2aas h SER 21 Cb 1.16 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.14 2aas h SER 21 CO 1.02 0.11 -0.21 -0.94 -0.87 0.00 0.00 176.83 175.94 2aas s SER 22 N -6.63 -0.05 0.00 4.97 1.04 -1.26 -5.02 113.70 106.75 2aas s SER 22 Ca -0.04 -0.87 0.01 0.00 0.48 0.00 0.00 55.95 55.53 2aas s SER 22 Cb 0.15 0.51 0.07 0.00 0.10 0.00 0.00 66.02 66.85 2aas s SER 22 CO 0.64 -1.01 0.86 -1.54 0.98 0.00 0.00 173.24 173.17 2aas n SER 23 N -0.30 0.00 -0.01 7.02 3.41 -1.26 -2.24 113.62 120.24 2aas n SER 23 Ca -0.05 0.29 0.07 0.00 -0.26 0.00 0.00 58.87 58.92 2aas n SER 23 Cb 0.63 -0.30 -0.11 0.00 -0.26 0.00 0.00 64.21 64.16 2aas n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2aas n ASN 24 N -1.30 1.56 -0.24 4.04 2.85 -1.26 -2.81 115.26 118.10 2aas n ASN 24 Ca 0.01 -0.07 -0.02 0.00 -0.11 0.00 0.00 54.58 54.39 2aas n ASN 24 Cb 0.01 1.62 0.01 0.00 1.24 0.00 0.00 39.78 42.65 2aas n ASN 24 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2aas n TYR 25 N -1.95 -0.05 0.14 1.20 9.36 -0.95 -0.88 117.16 124.03 2aas n TYR 25 Ca -0.02 0.76 0.16 0.00 3.32 0.00 0.00 57.90 62.12 2aas n TYR 25 Cb 0.37 -0.69 0.72 0.00 -0.63 0.00 0.00 39.34 39.11 2aas n TYR 25 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2aas h ASN 27 N 0.00 -1.31 -0.12 0.00 -0.26 -1.28 0.26 115.58 112.87 2aas h ASN 27 Ca 0.12 0.16 -0.11 0.00 -0.56 0.00 0.00 56.30 55.92 2aas h ASN 27 Cb 0.54 0.53 0.00 0.00 -1.06 0.00 0.00 38.32 38.33 2aas h ASN 27 CO -0.00 -0.32 -0.36 1.56 -1.06 0.00 0.00 177.43 177.25 2aas h GLN 28 N -0.35 0.45 -0.43 0.81 7.50 -1.77 -3.32 115.11 118.00 2aas h GLN 28 Ca 0.04 -0.33 0.01 0.00 0.50 0.00 0.00 58.65 58.87 2aas h GLN 28 Cb 0.46 0.06 -0.02 0.00 0.05 0.00 0.00 27.48 28.02 2aas h GLN 28 CO -0.38 0.95 0.28 1.98 -1.50 0.00 0.00 178.83 180.15 2aas h MET 29 N 0.03 0.54 -0.65 1.46 4.05 -1.29 -2.17 114.93 116.90 2aas h MET 29 Ca -0.01 -0.03 0.12 0.00 -0.28 0.00 0.00 59.70 59.50 2aas h MET 29 Cb 0.99 -0.12 -0.09 0.00 -0.80 0.00 0.00 31.60 31.58 2aas h MET 29 CO 0.08 0.36 0.17 0.52 0.23 0.00 0.00 176.91 178.27 2aas h MET 30 N 0.56 0.30 -0.02 0.39 2.86 -0.62 -2.27 114.93 116.13 2aas h MET 30 Ca 0.16 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2aas h MET 30 Cb -0.04 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.55 2aas h MET 30 CO -0.05 0.20 0.01 0.87 1.06 0.00 0.00 176.91 179.00 2aas h LYS 31 N 0.31 0.03 0.00 1.72 1.57 -1.54 -2.81 116.57 115.84 2aas h LYS 31 Ca 0.35 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 2aas h LYS 31 Cb 0.52 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 2aas h LYS 31 CO -0.41 0.03 -0.04 1.03 -0.57 0.00 0.00 179.45 179.49 2aas h SER 32 N 0.02 0.00 -0.18 0.86 0.87 -0.83 -2.05 113.55 112.23 2aas h SER 32 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2aas h SER 32 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2aas h SER 32 CO -0.00 0.04 0.00 0.54 -0.53 0.00 0.00 176.83 176.88 2aas n ARG 33 N -4.23 2.22 -0.04 2.24 5.12 -1.02 -4.89 116.66 116.06 2aas n ARG 33 Ca -0.03 -0.99 0.00 0.00 -1.93 0.00 0.00 57.85 54.90 2aas n ARG 33 Cb 0.13 -1.73 0.00 0.00 -1.16 0.00 0.00 32.46 29.70 2aas n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2aas n ASN 34 N 0.20 0.00 -0.05 0.55 3.02 -0.77 -4.79 115.26 113.41 2aas n ASN 34 Ca 0.09 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.78 2aas n ASN 34 Cb 0.54 -1.09 0.55 0.00 -0.61 0.00 0.00 39.78 39.18 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 0.26 -2.68 3.41 3.38 -1.71 -2.32 115.31 115.65 2aas h LEU 35 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2aas h LEU 35 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2aas h LEU 35 CO 0.00 0.15 0.00 0.35 0.09 0.00 0.00 178.44 179.03 2aas n THR 36 N -4.45 0.85 1.12 0.22 -2.24 -1.26 -4.37 114.28 104.16 2aas n THR 36 Ca 0.10 -0.93 0.10 0.00 -2.27 0.00 0.00 64.05 61.05 2aas n THR 36 Cb 0.43 0.59 0.55 0.00 -2.10 0.00 0.00 70.33 69.81 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 0.10 0.49 0.00 -0.78 5.02 -0.87 -3.27 118.16 118.85 2aas n LYS 37 Ca 0.06 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 2aas n LYS 37 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 2aas n LYS 37 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2aas n ASP 38 N -1.12 0.12 -3.96 4.39 5.68 -1.26 -5.08 116.55 115.32 2aas n ASP 38 Ca 0.13 0.00 -0.09 0.00 -0.50 0.00 0.00 54.79 54.33 2aas n ASP 38 Cb 0.10 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 39.99 2aas n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2aas s ARG 39 N -1.99 0.62 -0.24 0.11 1.70 -1.20 -5.01 118.95 112.94 2aas s ARG 39 Ca 0.00 -0.90 -0.29 0.00 -0.47 0.00 0.00 55.73 54.07 2aas s ARG 39 Cb 0.00 0.23 -0.01 0.00 -0.57 0.00 0.00 34.95 34.61 2aas s ARG 39 CO 0.00 -0.15 1.27 0.00 -1.08 0.00 0.00 175.30 175.34 2aas s LYS 41 N 3.82 4.26 0.22 0.00 2.20 -1.26 -4.95 119.74 124.03 2aas s LYS 41 Ca 0.55 2.14 -0.07 0.00 -0.36 0.00 0.00 55.97 58.23 2aas s LYS 41 Cb -0.19 -3.48 0.35 0.00 -1.51 0.00 0.00 37.83 33.01 2aas s LYS 41 CO 0.18 -0.60 1.74 -1.35 -0.36 0.00 0.00 175.35 174.97 2aas h PRO 42 N 7.69 0.44 -3.13 4.03 0.11 -1.96 -3.42 132.00 135.76 2aas h PRO 42 Ca -0.41 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.52 2aas h PRO 42 Cb 1.19 -0.10 -0.25 0.00 0.11 0.00 0.00 31.00 31.95 2aas h PRO 42 CO 0.90 0.29 -0.41 0.54 -0.21 0.00 0.00 178.00 179.11 2aas s VAL 43 N -6.06 0.01 -0.01 3.15 0.11 -1.26 -1.17 120.40 115.16 2aas s VAL 43 Ca -0.13 -0.05 -0.14 0.00 -2.93 0.00 0.00 61.98 58.73 2aas s VAL 43 Cb 0.18 -0.38 0.02 0.00 -1.53 0.00 0.00 36.38 34.68 2aas s VAL 43 CO 0.75 -0.03 0.29 0.21 -3.33 0.00 0.00 175.10 173.00 2aas s ASN 44 N -0.00 -0.17 -0.16 3.54 3.84 0.55 -5.02 114.94 117.52 2aas s ASN 44 Ca -0.01 0.07 0.00 0.00 0.21 0.00 0.00 52.86 53.13 2aas s ASN 44 Cb -0.02 0.31 0.03 0.00 -0.55 0.00 0.00 41.25 41.01 2aas s ASN 44 CO 0.01 -0.43 -0.12 -0.89 -2.79 0.00 0.00 177.10 172.87 2aas s THR 45 N -1.30 1.51 0.25 -5.21 2.01 -1.26 0.30 115.64 111.94 2aas s THR 45 Ca -0.13 -0.67 -0.15 0.00 0.31 0.00 0.00 61.69 61.04 2aas s THR 45 Cb -0.05 -1.47 -0.08 0.00 0.01 0.00 0.00 72.50 70.90 2aas s THR 45 CO 0.04 0.38 0.67 -0.36 -0.69 0.00 0.00 174.62 174.65 2aas s PHE 46 N 1.50 3.49 -0.26 4.92 0.08 0.69 -4.51 117.98 123.88 2aas s PHE 46 Ca 0.04 1.17 0.02 0.00 0.12 0.00 0.00 56.93 58.27 2aas s PHE 46 Cb -0.14 -2.48 0.07 0.00 -0.57 0.00 0.00 43.02 39.91 2aas s PHE 46 CO -0.10 0.25 -0.04 0.08 -0.10 0.00 0.00 175.22 175.30 2aas s VAL 47 N -1.74 1.81 -0.41 -0.44 1.01 0.14 0.44 120.40 121.19 2aas s VAL 47 Ca 0.47 -1.55 -0.05 0.00 0.00 0.00 0.00 61.98 60.86 2aas s VAL 47 Cb -0.13 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 2aas s VAL 47 CO 0.19 -0.20 2.98 1.41 0.00 0.00 0.00 175.10 179.48 2aas n HIS 48 N 4.54 1.26 -4.39 5.22 8.25 -0.09 -1.70 115.22 128.30 2aas n HIS 48 Ca -0.09 -1.90 -0.20 0.00 -0.26 0.00 0.00 57.72 55.27 2aas n HIS 48 Cb 0.43 -1.49 -0.10 0.00 1.12 0.00 0.00 29.99 29.95 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 -0.90 1.59 0.62 -0.41 8.01 -1.26 -4.74 118.70 121.62 2aas s GLU 49 Ca 0.61 -1.90 -0.14 0.00 0.01 0.00 0.00 54.97 53.56 2aas s GLU 49 Cb 0.35 -0.48 -0.03 0.00 -4.31 0.00 0.00 34.13 29.67 2aas s GLU 49 CO -0.15 -0.31 1.05 -1.54 0.01 0.00 0.00 175.26 174.31 2aas s SER 50 N -3.42 5.78 0.23 -0.19 1.04 -1.26 -3.66 113.70 112.21 2aas s SER 50 Ca 0.35 1.68 -0.07 0.00 0.48 0.00 0.00 55.95 58.39 2aas s SER 50 Cb 0.07 -2.51 0.30 0.00 0.10 0.00 0.00 66.02 63.98 2aas s SER 50 CO 0.15 -1.17 1.82 0.25 0.98 0.00 0.00 173.24 175.27 2aas h LEU 51 N 0.01 0.68 -0.95 2.42 5.85 -1.98 -2.09 115.31 119.25 2aas h LEU 51 Ca -0.45 0.03 0.14 0.00 0.84 0.00 0.00 57.88 58.43 2aas h LEU 51 Cb 1.21 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 42.04 2aas h LEU 51 CO 0.58 0.43 0.57 0.00 -0.34 0.00 0.00 178.44 179.67 2aas h ALA 52 N 1.39 1.45 -0.20 1.25 0.00 -1.99 0.31 119.26 121.47 2aas h ALA 52 Ca 0.34 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.18 2aas h ALA 52 Cb 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2aas h ALA 52 CO -0.19 0.08 -0.41 -0.44 0.00 0.00 0.00 179.25 178.30 2aas h ASP 53 N 0.84 0.50 0.84 0.00 3.32 -1.78 -2.41 116.42 117.74 2aas h ASP 53 Ca 0.50 -0.22 -0.22 0.00 0.02 0.00 0.00 57.03 57.10 2aas h ASP 53 Cb 0.60 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 2aas h ASP 53 CO -0.31 0.85 -1.24 0.58 -1.72 0.00 0.00 179.24 177.41 2aas h VAL 54 N 0.39 1.18 -0.65 -1.35 2.07 -0.81 -3.10 116.25 113.98 2aas h VAL 54 Ca 0.03 -2.88 0.09 0.00 0.82 0.00 0.00 66.70 64.76 2aas h VAL 54 Cb 0.88 2.56 -0.04 0.00 -1.52 0.00 0.00 31.29 33.17 2aas h VAL 54 CO 0.07 0.67 0.43 1.56 0.02 0.00 0.00 177.57 180.33 2aas h GLN 55 N 0.00 0.50 0.00 1.57 4.20 -0.38 -1.56 115.11 119.44 2aas h GLN 55 Ca -0.12 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.56 2aas h GLN 55 Cb 1.79 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.46 2aas h GLN 55 CO 0.10 0.33 0.00 0.00 -0.67 0.00 0.00 178.83 178.59 2aas h ALA 56 N 1.67 1.00 0.14 3.87 0.00 -1.35 -2.06 119.26 122.53 2aas h ALA 56 Ca 0.30 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.93 2aas h ALA 56 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2aas h ALA 56 CO -0.09 0.00 -1.29 0.28 0.00 0.00 0.00 179.25 178.14 2aas h VAL 57 N 0.00 1.45 0.00 0.00 2.07 -1.37 -3.28 116.25 115.12 2aas h VAL 57 Ca 0.00 -3.01 -0.00 0.00 0.82 0.00 0.00 66.70 64.51 2aas h VAL 57 Cb 0.08 2.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.79 2aas h VAL 57 CO 0.00 0.88 -0.01 0.00 0.02 0.00 0.00 177.57 178.46 2aas n SER 59 N -3.27 4.20 0.00 0.00 3.41 -1.24 -4.92 113.62 111.81 2aas n SER 59 Ca -0.03 -3.28 0.00 0.00 -0.26 0.00 0.00 58.87 55.31 2aas n SER 59 Cb 0.11 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 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 -0.42 3.78 -3.10 4.33 6.02 -0.24 -5.09 117.38 122.66 2aas n GLN 60 Ca 0.35 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.95 2aas n GLN 60 Cb 1.22 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 32.43 2aas n GLN 60 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2aas s LYS 61 N 3.46 4.40 0.28 -1.09 3.01 -1.24 -4.87 119.74 123.69 2aas s LYS 61 Ca 0.00 0.78 -0.29 0.00 -1.01 0.00 0.00 55.97 55.45 2aas s LYS 61 Cb 0.00 -3.45 -0.10 0.00 -1.01 0.00 0.00 37.83 33.27 2aas s LYS 61 CO 0.00 0.06 1.17 1.21 0.51 0.00 0.00 175.35 178.30 2aas s ASN 62 N 0.79 7.11 0.14 2.83 3.84 -1.26 -1.30 114.94 127.09 2aas s ASN 62 Ca 0.35 2.37 -0.00 0.00 0.21 0.00 0.00 52.86 55.79 2aas s ASN 62 Cb -0.17 -2.63 -0.04 0.00 -0.55 0.00 0.00 41.25 37.86 2aas s ASN 62 CO 0.16 -0.28 0.04 0.68 -2.79 0.00 0.00 177.10 174.91 2aas s VAL 63 N -0.98 0.26 -0.08 -5.21 -7.23 0.34 -4.92 120.40 102.58 2aas s VAL 63 Ca 0.47 -1.93 -0.20 0.00 -1.81 0.00 0.00 61.98 58.51 2aas s VAL 63 Cb -0.34 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 2aas s VAL 63 CO 0.43 -0.45 0.54 0.00 -0.31 0.00 0.00 175.10 175.32 2aas s ALA 64 N -3.94 3.46 0.55 1.32 0.00 -1.26 -1.51 121.76 120.37 2aas s ALA 64 Ca 0.24 -0.08 -0.20 0.00 0.00 0.00 0.00 51.96 51.93 2aas s ALA 64 Cb 0.07 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.42 2aas s ALA 64 CO 0.03 0.04 1.16 0.00 0.00 0.00 0.00 175.76 176.99 2aas n LYS 66 N -1.27 -0.07 0.27 0.00 4.81 -1.26 0.03 118.16 120.67 2aas n LYS 66 Ca 0.12 1.38 0.18 0.00 -0.87 0.00 0.00 58.31 59.12 2aas n LYS 66 Cb 0.50 -2.27 0.77 0.00 0.02 0.00 0.00 35.03 34.06 2aas n LYS 66 CO 0.00 0.00 0.00 -2.95 1.17 0.00 0.00 177.40 175.62 2aas h ASN 67 N 0.00 0.00 0.00 3.14 -1.07 -2.01 -3.46 115.58 112.18 2aas h ASN 67 Ca 0.63 0.00 0.00 0.00 0.07 0.00 0.00 56.30 57.00 2aas h ASN 67 Cb 1.42 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.67 2aas h ASN 67 CO -0.84 0.00 0.00 0.61 0.07 0.00 0.00 177.43 177.27 2aas n GLY 68 N -0.22 0.84 3.70 9.14 0.00 0.10 -5.10 105.19 113.66 2aas n GLY 68 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.37 4.33 0.00 1.61 0.74 -1.23 -4.76 119.66 119.99 2aas s GLN 69 Ca 0.00 1.94 0.18 0.00 0.05 0.00 0.00 55.36 57.53 2aas s GLN 69 Cb 0.00 -3.42 0.76 0.00 1.10 0.00 0.00 33.01 31.46 2aas s GLN 69 CO 0.00 -0.45 1.57 0.25 -0.55 0.00 0.00 175.29 176.11 2aas n THR 70 N 4.26 0.77 -3.66 -0.34 -2.24 -1.26 -0.19 114.28 111.62 2aas n THR 70 Ca 0.12 0.19 -0.36 0.00 -2.27 0.00 0.00 64.05 61.73 2aas n THR 70 Cb 0.44 -0.88 -0.07 0.00 -2.10 0.00 0.00 70.33 67.71 2aas n THR 70 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2aas s ASN 71 N -3.00 5.81 0.16 3.42 4.22 -1.26 -4.51 114.94 119.79 2aas s ASN 71 Ca 0.09 -3.55 0.04 0.00 -2.14 0.00 0.00 52.86 47.30 2aas s ASN 71 Cb 0.12 -1.89 -0.05 0.00 1.28 0.00 0.00 41.25 40.71 2aas s ASN 71 CO 0.33 -0.22 -0.08 0.00 -2.04 0.00 0.00 177.10 175.09 2aas s TYR 73 N -3.35 0.88 0.10 0.00 1.51 0.05 -0.51 117.35 116.03 2aas s TYR 73 Ca 0.19 -0.39 0.06 0.00 -1.01 0.00 0.00 57.07 55.92 2aas s TYR 73 Cb 0.03 -0.52 -0.04 0.00 -0.11 0.00 0.00 41.96 41.32 2aas s TYR 73 CO 0.02 -0.02 -0.05 -1.14 -1.11 0.00 0.00 175.55 173.25 2aas s GLN 74 N -1.26 2.32 -0.03 -0.62 0.74 -0.42 -2.10 119.66 118.28 2aas s GLN 74 Ca -0.04 -0.95 -0.18 0.00 0.05 0.00 0.00 55.36 54.24 2aas s GLN 74 Cb -0.08 -2.41 -0.05 0.00 1.10 0.00 0.00 33.01 31.57 2aas s GLN 74 CO 0.01 0.52 0.51 -1.54 -0.55 0.00 0.00 175.29 174.23 2aas s SER 75 N -2.30 6.85 0.04 6.67 1.04 -1.05 -3.61 113.70 121.34 2aas s SER 75 Ca 0.24 1.01 0.27 0.00 0.48 0.00 0.00 55.95 57.94 2aas s SER 75 Cb -0.11 -2.31 1.08 0.00 0.10 0.00 0.00 66.02 64.78 2aas s SER 75 CO 0.16 0.14 1.84 -1.22 0.98 0.00 0.00 173.24 175.14 2aas n TYR 76 N 2.72 0.17 -4.18 5.02 4.01 -1.26 -4.54 117.16 119.11 2aas n TYR 76 Ca -0.09 0.05 -0.31 0.00 -0.16 0.00 0.00 57.90 57.39 2aas n TYR 76 Cb 0.51 -0.59 -0.08 0.00 -0.31 0.00 0.00 39.34 38.88 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 -3.28 5.20 0.44 7.72 1.04 -1.26 -5.12 113.70 118.43 2aas s SER 77 Ca 0.12 -0.05 -0.23 0.00 0.48 0.00 0.00 55.95 56.27 2aas s SER 77 Cb 0.16 -1.34 -0.08 0.00 0.10 0.00 0.00 66.02 64.87 2aas s SER 77 CO 0.50 0.23 1.11 0.42 0.98 0.00 0.00 173.24 176.48 2aas s THR 78 N -1.22 3.38 0.15 2.02 -4.23 -1.26 -4.62 115.64 109.87 2aas s THR 78 Ca 0.24 1.04 0.10 0.00 -1.18 0.00 0.00 61.69 61.88 2aas s THR 78 Cb -0.12 -3.53 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 2aas s THR 78 CO 0.15 -0.01 -0.23 -0.04 -0.54 0.00 0.00 174.62 173.95 2aas s MET 79 N -2.63 1.35 -0.66 3.99 -1.94 0.79 -4.83 119.30 115.37 2aas s MET 79 Ca 0.61 -1.38 -0.27 0.00 -1.71 0.00 0.00 55.69 52.94 2aas s MET 79 Cb -0.25 -1.65 0.01 0.00 2.01 0.00 0.00 34.83 34.94 2aas s MET 79 CO 0.31 0.37 1.55 0.45 -0.01 0.00 0.00 175.02 177.69 2aas s SER 80 N -2.37 5.77 0.08 3.03 0.15 -1.26 -1.61 113.70 117.49 2aas s SER 80 Ca 0.15 0.01 0.09 0.00 0.70 0.00 0.00 55.95 56.90 2aas s SER 80 Cb -0.08 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.65 2aas s SER 80 CO 0.07 -2.05 -0.21 0.27 1.20 0.00 0.00 173.24 172.52 2aas s ILE 81 N 7.23 2.58 -0.36 6.45 -5.25 -0.25 -0.92 121.20 130.67 2aas s ILE 81 Ca 0.52 -1.41 0.02 0.00 -0.99 0.00 0.00 60.65 58.78 2aas s ILE 81 Cb -0.11 -2.11 0.10 0.00 2.95 0.00 0.00 42.46 43.30 2aas s ILE 81 CO 0.19 0.24 0.10 -0.89 -1.79 0.00 0.00 174.94 172.79 2aas s THR 82 N -0.98 2.63 -0.15 8.37 2.01 0.17 -1.01 115.64 126.68 2aas s THR 82 Ca 0.15 -2.22 -0.26 0.00 0.31 0.00 0.00 61.69 59.67 2aas s THR 82 Cb -0.10 -2.87 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 2aas s THR 82 CO 0.06 -0.61 0.84 -1.81 -0.69 0.00 0.00 174.62 172.41 2aas s ASP 83 N 1.22 6.99 -0.09 3.53 1.01 -0.10 -0.23 116.67 129.00 2aas s ASP 83 Ca 0.09 1.21 -0.00 0.00 0.71 0.00 0.00 52.55 54.56 2aas s ASP 83 Cb -0.20 -2.46 0.02 0.00 1.01 0.00 0.00 42.92 41.29 2aas s ASP 83 CO -0.07 -0.38 -0.06 0.00 0.21 0.00 0.00 175.17 174.87 2aas s ARG 85 N 1.60 1.22 0.28 0.00 0.52 0.07 -0.33 118.95 122.31 2aas s ARG 85 Ca 0.02 -0.51 -0.30 0.00 -0.52 0.00 0.00 55.73 54.42 2aas s ARG 85 Cb -0.13 -1.16 -0.11 0.00 0.52 0.00 0.00 34.95 34.07 2aas s ARG 85 CO -0.06 0.28 1.62 -1.21 0.02 0.00 0.00 175.30 175.96 2aas s GLU 86 N -0.24 4.12 0.67 3.54 2.02 -0.32 0.24 118.70 128.73 2aas s GLU 86 Ca 0.04 2.59 -0.09 0.00 0.02 0.00 0.00 54.97 57.52 2aas s GLU 86 Cb -0.07 -3.03 0.02 0.00 0.10 0.00 0.00 34.13 31.15 2aas s GLU 86 CO -0.00 -0.66 1.03 0.95 0.02 0.00 0.00 175.26 176.60 2aas s THR 87 N 0.19 3.43 0.52 3.63 -4.23 -0.23 -4.81 115.64 114.12 2aas s THR 87 Ca 0.65 0.27 0.19 0.00 -1.18 0.00 0.00 61.69 61.61 2aas s THR 87 Cb -0.48 -3.43 0.27 0.00 1.34 0.00 0.00 72.50 70.20 2aas s THR 87 CO 0.46 -0.52 2.14 1.23 -0.54 0.00 0.00 174.62 177.39 2aas h GLY 88 N -0.51 0.00 -3.32 3.99 0.00 -1.96 -2.84 103.07 98.43 2aas h GLY 88 Ca -0.45 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 2aas h GLY 88 CO 0.63 0.00 0.09 -1.14 0.00 0.00 0.00 176.54 176.11 2aas n SER 89 N -4.35 4.95 -4.37 0.19 3.41 -1.26 -4.87 113.62 107.30 2aas n SER 89 Ca -0.03 -2.91 -0.45 0.00 -0.26 0.00 0.00 58.87 55.23 2aas n SER 89 Cb 0.12 -0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 63.34 2aas n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2aas s SER 90 N -0.73 6.23 0.25 4.04 0.15 -1.07 -4.69 113.70 117.88 2aas s SER 90 Ca 0.48 -1.53 0.09 0.00 0.70 0.00 0.00 55.95 55.69 2aas s SER 90 Cb 0.37 -2.30 -0.05 0.00 -1.71 0.00 0.00 66.02 62.33 2aas s SER 90 CO 0.13 -1.08 -0.15 -0.54 1.20 0.00 0.00 173.24 172.80 2aas s LYS 91 N 2.55 1.53 -0.01 5.44 1.02 -0.96 -4.80 119.74 124.51 2aas s LYS 91 Ca 0.12 -1.71 -0.26 0.00 0.02 0.00 0.00 55.97 54.14 2aas s LYS 91 Cb -0.23 -1.42 -0.04 0.00 -0.52 0.00 0.00 37.83 35.62 2aas s LYS 91 CO 0.05 0.22 0.83 -0.47 -0.92 0.00 0.00 175.35 175.05 2aas s TYR 92 N -2.77 3.66 -2.29 3.18 5.04 -1.26 0.25 117.35 123.15 2aas s TYR 92 Ca 0.27 1.49 0.28 0.00 -2.44 0.00 0.00 57.07 56.67 2aas s TYR 92 Cb -0.02 -2.94 1.07 0.00 0.35 0.00 0.00 41.96 40.43 2aas s TYR 92 CO 0.11 0.10 1.76 -0.35 -1.34 0.00 0.00 175.55 175.83 2aas n PRO 93 N 3.55 1.42 -2.10 4.97 -0.04 -1.26 -5.01 135.00 136.53 2aas n PRO 93 Ca 0.01 -0.77 -0.42 0.00 -0.04 0.00 0.00 63.50 62.28 2aas n PRO 93 Cb 0.51 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.11 4.65 -4.60 3.54 6.94 0.14 -4.94 115.26 120.86 2aas n ASN 94 Ca 0.18 -3.01 -0.43 0.00 -0.02 0.00 0.00 54.58 51.30 2aas n ASN 94 Cb 0.33 -1.55 -0.02 0.00 -2.36 0.00 0.00 39.78 36.18 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 5.44 3.00 -0.01 0.00 0.00 -1.26 -4.68 121.76 124.24 2aas s ALA 96 Ca 0.63 -1.02 0.08 0.00 0.00 0.00 0.00 51.96 51.65 2aas s ALA 96 Cb -0.15 -1.76 -0.02 0.00 0.00 0.00 0.00 23.12 21.19 2aas s ALA 96 CO 0.32 -0.19 -0.25 0.71 0.00 0.00 0.00 175.76 176.34 2aas s TYR 97 N 1.08 2.36 -0.40 0.00 1.51 -1.26 -1.07 117.35 119.56 2aas s TYR 97 Ca 0.02 -0.41 -0.25 0.00 -1.01 0.00 0.00 57.07 55.42 2aas s TYR 97 Cb -0.14 -1.49 0.02 0.00 -0.11 0.00 0.00 41.96 40.23 2aas s TYR 97 CO 0.01 0.00 0.88 0.21 -1.11 0.00 0.00 175.55 175.54 2aas s LYS 98 N -0.72 3.70 -0.09 -0.62 2.47 0.14 -4.67 119.74 119.94 2aas s LYS 98 Ca 0.10 0.34 0.00 0.00 -1.56 0.00 0.00 55.97 54.85 2aas s LYS 98 Cb -0.10 -3.85 -0.03 0.00 -1.46 0.00 0.00 37.83 32.39 2aas s LYS 98 CO -0.00 -1.01 -0.09 0.99 0.16 0.00 0.00 175.35 175.40 2aas s THR 99 N 3.44 3.51 -0.04 3.43 2.01 -1.12 -0.75 115.64 126.12 2aas s THR 99 Ca 0.35 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.84 2aas s THR 99 Cb -0.12 -2.45 0.01 0.00 0.01 0.00 0.00 72.50 69.95 2aas s THR 99 CO 0.21 0.56 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.73 2aas s THR 100 N -0.34 0.74 -0.27 -0.82 2.01 0.08 -4.54 115.64 112.50 2aas s THR 100 Ca 0.04 -0.30 -0.13 0.00 0.31 0.00 0.00 61.69 61.61 2aas s THR 100 Cb -0.13 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 2aas s THR 100 CO 0.02 0.25 0.29 -1.58 -0.69 0.00 0.00 174.62 172.91 2aas s GLN 101 N 0.45 4.00 -0.02 4.92 2.00 -1.26 -0.93 119.66 128.82 2aas s GLN 101 Ca -0.07 -0.11 -0.06 0.00 -2.00 0.00 0.00 55.36 53.12 2aas s GLN 101 Cb -0.11 -3.65 0.01 0.00 0.80 0.00 0.00 33.01 30.05 2aas s GLN 101 CO 0.01 -0.22 0.13 0.00 -0.50 0.00 0.00 175.29 174.71 2aas s ALA 102 N 1.89 -0.32 -0.62 1.58 0.00 -0.18 -5.03 121.76 119.08 2aas s ALA 102 Ca 0.12 0.06 -0.15 0.00 0.00 0.00 0.00 51.96 51.99 2aas s ALA 102 Cb -0.16 -0.03 0.16 0.00 0.00 0.00 0.00 23.12 23.09 2aas s ALA 102 CO 0.10 -0.15 0.57 -0.80 0.00 0.00 0.00 175.76 175.48 2aas s ASN 103 N -0.81 6.32 0.21 0.00 -0.87 -1.26 -1.09 114.94 117.44 2aas s ASN 103 Ca -0.09 -2.09 0.07 0.00 -1.57 0.00 0.00 52.86 49.18 2aas s ASN 103 Cb -0.05 -2.19 -0.05 0.00 -0.02 0.00 0.00 41.25 38.94 2aas s ASN 103 CO 0.01 -0.76 -0.12 -0.54 -2.57 0.00 0.00 177.10 173.12 2aas s LYS 104 N 1.13 1.31 0.34 -0.60 1.02 -0.63 -4.69 119.74 117.61 2aas s LYS 104 Ca 0.08 -1.59 -0.24 0.00 0.02 0.00 0.00 55.97 54.24 2aas s LYS 104 Cb -0.24 -1.02 -0.10 0.00 -0.52 0.00 0.00 37.83 35.95 2aas s LYS 104 CO -0.01 0.14 0.92 -1.01 -0.92 0.00 0.00 175.35 174.47 2aas s HIS 105 N -3.05 3.58 -0.04 3.18 3.76 -1.26 -0.15 115.29 121.31 2aas s HIS 105 Ca 0.23 1.68 0.04 0.00 -0.15 0.00 0.00 55.06 56.86 2aas s HIS 105 Cb 0.01 -2.86 -0.03 0.00 1.11 0.00 0.00 32.58 30.81 2aas s HIS 105 CO 0.06 0.14 -0.14 0.96 -0.85 0.00 0.00 174.74 174.91 2aas s ILE 106 N -1.76 3.06 -0.32 0.60 -4.36 -1.26 0.23 121.20 117.40 2aas s ILE 106 Ca 0.53 -0.78 -0.06 0.00 -0.26 0.00 0.00 60.65 60.08 2aas s ILE 106 Cb -0.16 -2.22 0.03 0.00 1.25 0.00 0.00 42.46 41.37 2aas s ILE 106 CO 0.21 0.55 0.08 -0.63 0.24 0.00 0.00 174.94 175.39 2aas s ILE 107 N -0.77 3.73 -0.05 8.37 1.09 0.73 -2.52 121.20 131.78 2aas s ILE 107 Ca 0.12 -1.01 0.04 0.00 -1.10 0.00 0.00 60.65 58.70 2aas s ILE 107 Cb -0.11 -3.04 -0.02 0.00 -1.06 0.00 0.00 42.46 38.23 2aas s ILE 107 CO 0.01 -0.07 -0.16 0.68 -0.10 0.00 0.00 174.94 175.30 2aas s VAL 108 N 1.42 2.89 -0.09 2.92 -7.23 -0.89 -1.70 120.40 117.71 2aas s VAL 108 Ca -0.01 -0.78 -0.24 0.00 -1.81 0.00 0.00 61.98 59.14 2aas s VAL 108 Cb -0.19 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 2aas s VAL 108 CO 0.02 0.58 0.74 0.00 -0.31 0.00 0.00 175.10 176.13 2aas s ALA 109 N -0.61 3.38 0.02 1.32 0.00 0.70 -0.77 121.76 125.79 2aas s ALA 109 Ca 0.09 0.10 0.08 0.00 0.00 0.00 0.00 51.96 52.23 2aas s ALA 109 Cb -0.11 -3.04 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 2aas s ALA 109 CO 0.01 -0.26 -0.23 0.00 0.00 0.00 0.00 175.76 175.27 2aas s GLU 111 N -0.94 1.44 0.39 0.00 2.02 -0.24 -4.93 118.70 116.44 2aas s GLU 111 Ca 0.09 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 54.02 2aas s GLU 111 Cb -0.09 0.49 0.00 0.00 0.10 0.00 0.00 34.13 34.63 2aas s GLU 111 CO 0.01 -0.60 0.00 0.41 0.02 0.00 0.00 175.26 175.09 2aas n GLY 112 N -0.35 -2.35 2.79 -1.39 0.00 -1.26 -0.83 105.19 101.80 2aas n GLY 112 Ca -0.06 -1.59 -0.18 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.76 1.16 0.35 1.61 2.47 -1.26 -3.26 114.94 113.25 2aas s ASN 113 Ca 0.00 0.01 -0.27 0.00 0.42 0.00 0.00 52.86 53.02 2aas s ASN 113 Cb 0.00 0.31 -0.09 0.00 -1.45 0.00 0.00 41.25 40.01 2aas s ASN 113 CO 0.00 -0.29 1.24 -2.16 -3.72 0.00 0.00 177.10 172.17 2aas s PRO 114 N 2.30 4.25 -0.10 0.43 0.04 -1.26 -5.06 135.00 135.60 2aas s PRO 114 Ca 0.04 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.84 2aas s PRO 114 Cb -0.14 -2.93 -0.06 0.00 0.04 0.00 0.00 34.50 31.41 2aas s PRO 114 CO -0.09 -0.22 2.00 -0.47 0.04 0.00 0.00 177.00 178.26 2aas s TYR 115 N -1.23 1.38 0.02 0.56 5.04 -1.20 -4.96 117.35 116.95 2aas s TYR 115 Ca 0.52 0.09 0.05 0.00 -2.44 0.00 0.00 57.07 55.29 2aas s TYR 115 Cb -0.36 -4.08 -0.02 0.00 0.35 0.00 0.00 41.96 37.86 2aas s TYR 115 CO 0.47 -4.57 -0.15 0.14 -1.34 0.00 0.00 175.55 170.10 2aas s VAL 116 N 6.04 1.22 0.09 3.14 -7.23 -0.01 -4.85 120.40 118.81 2aas s VAL 116 Ca 0.90 -0.85 -0.31 0.00 -1.81 0.00 0.00 61.98 59.91 2aas s VAL 116 Cb -0.36 -1.06 -0.09 0.00 0.56 0.00 0.00 36.38 35.43 2aas s VAL 116 CO 0.37 0.19 1.71 -2.16 -0.31 0.00 0.00 175.10 174.90 2aas s PRO 117 N -0.77 4.18 -0.13 4.82 0.04 -1.26 -1.07 135.00 140.80 2aas s PRO 117 Ca 0.04 2.42 0.07 0.00 0.04 0.00 0.00 61.00 63.57 2aas s PRO 117 Cb -0.07 -3.58 -0.13 0.00 0.04 0.00 0.00 34.50 30.76 2aas s PRO 117 CO 0.00 -0.76 -0.02 1.33 0.04 0.00 0.00 177.00 177.59 2aas n VAL 118 N 4.70 0.84 -4.07 -0.36 0.24 0.63 -4.42 118.33 115.88 2aas n VAL 118 Ca 0.16 -0.44 -0.14 0.00 -2.04 0.00 0.00 64.34 61.88 2aas n VAL 118 Cb 0.40 -0.82 -0.14 0.00 -1.47 0.00 0.00 33.84 31.81 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 -2.29 0.38 -0.12 6.34 3.76 -1.10 -3.56 115.29 118.70 2aas s HIS 119 Ca -0.11 -0.15 -0.07 0.00 -0.15 0.00 0.00 55.06 54.58 2aas s HIS 119 Cb 0.04 -0.24 -0.04 0.00 1.11 0.00 0.00 32.58 33.45 2aas s HIS 119 CO 0.44 -0.03 0.13 0.12 -0.85 0.00 0.00 174.74 174.55 2aas s PHE 120 N -0.33 3.57 0.00 1.40 2.19 -1.26 -0.22 117.98 123.33 2aas s PHE 120 Ca -0.01 0.50 0.00 0.00 0.33 0.00 0.00 56.93 57.75 2aas s PHE 120 Cb -0.03 -1.94 0.00 0.00 -1.31 0.00 0.00 43.02 39.74 2aas s PHE 120 CO -0.00 0.70 0.00 -3.47 1.83 0.00 0.00 175.22 174.28 2aas n ASP 121 N 2.06 0.00 -4.07 6.13 2.03 -0.69 -4.95 116.55 117.07 2aas n ASP 121 Ca -0.20 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 54.90 2aas n ASP 121 Cb 0.55 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.80 2aas n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2aas s ALA 122 N -2.00 1.02 -0.35 -1.67 0.00 -1.20 -4.98 121.76 112.57 2aas s ALA 122 Ca 0.00 -0.51 -0.07 0.00 0.00 0.00 0.00 51.96 51.39 2aas s ALA 122 Cb 0.00 -0.28 0.05 0.00 0.00 0.00 0.00 23.12 22.89 2aas s ALA 122 CO 0.00 0.24 0.13 -1.54 0.00 0.00 0.00 175.76 174.58 2aas s SER 123 N -0.21 5.35 0.00 0.00 1.04 -1.26 -0.19 113.70 118.42 2aas s SER 123 Ca 0.03 -1.22 0.30 0.00 0.48 0.00 0.00 55.95 55.54 2aas s SER 123 Cb -0.05 -1.88 1.43 0.00 0.10 0.00 0.00 66.02 65.61 2aas s SER 123 CO -0.00 -0.36 1.96 0.52 0.98 0.00 0.00 173.24 176.33