#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 3.50 0.97 -1.58 2.12 -1.26 -4.97 118.70 117.48 2aas s GLU 2 Ca 0.00 -0.96 -0.13 0.00 0.36 0.00 0.00 54.97 54.24 2aas s GLU 2 Cb 0.00 -5.08 0.17 0.00 0.26 0.00 0.00 34.13 29.48 2aas s GLU 2 CO 0.00 -2.17 1.11 0.95 -0.54 0.00 0.00 175.26 174.61 2aas s THR 3 N 5.03 1.99 0.23 -1.70 -4.23 -1.26 -4.91 115.64 110.79 2aas s THR 3 Ca 0.43 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.88 2aas s THR 3 Cb -0.02 -2.60 0.20 0.00 1.34 0.00 0.00 72.50 71.41 2aas s THR 3 CO -0.05 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 175.87 2aas h ALA 4 N -1.77 1.11 -0.64 3.99 0.00 -1.93 -1.25 119.26 118.77 2aas h ALA 4 Ca -0.53 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 2aas h ALA 4 Cb 1.33 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2aas h ALA 4 CO 0.59 0.20 0.23 0.00 0.00 0.00 0.00 179.25 180.27 2aas h ALA 5 N 1.40 0.84 -0.71 0.00 0.00 -1.76 -1.82 119.26 117.21 2aas h ALA 5 Ca 0.36 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2aas h ALA 5 Cb 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2aas h ALA 5 CO -0.18 0.48 0.44 0.00 0.00 0.00 0.00 179.25 179.99 2aas h ALA 6 N 1.09 1.44 -0.27 0.00 0.00 -1.68 -1.41 119.26 118.43 2aas h ALA 6 Ca 0.21 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 2aas h ALA 6 Cb 0.25 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2aas h ALA 6 CO -0.01 0.49 -0.48 -0.22 0.00 0.00 0.00 179.25 179.03 2aas h LYS 7 N 0.97 0.72 -0.12 0.00 3.64 -0.68 0.10 116.57 121.21 2aas h LYS 7 Ca 0.26 -0.42 0.04 0.00 -1.27 0.00 0.00 60.65 59.26 2aas h LYS 7 Cb -0.06 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 2aas h LYS 7 CO -0.05 1.04 -0.23 0.35 -2.27 0.00 0.00 179.45 178.29 2aas h PHE 8 N 0.57 -0.61 -0.29 1.91 3.57 -0.92 -1.25 116.94 119.93 2aas h PHE 8 Ca 0.03 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.62 2aas h PHE 8 Cb 1.04 0.29 -0.07 0.00 2.79 0.00 0.00 35.95 40.00 2aas h PHE 8 CO 0.05 -0.31 -0.16 0.93 -2.23 0.00 0.00 178.31 176.60 2aas h GLU 9 N -0.30 -0.12 0.04 1.11 5.08 -0.73 0.11 114.58 119.77 2aas h GLU 9 Ca 0.10 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2aas h GLU 9 Cb 0.44 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2aas h GLU 9 CO -0.29 -0.08 -0.11 -0.09 -1.00 0.00 0.00 179.01 177.44 2aas h ARG 10 N -0.12 -0.20 -0.03 2.33 1.12 -0.63 0.49 114.38 117.34 2aas h ARG 10 Ca 0.15 0.01 -0.14 0.00 -1.11 0.00 0.00 59.98 58.89 2aas h ARG 10 Cb 0.35 0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.34 2aas h ARG 10 CO -0.36 -0.14 -0.64 1.96 -3.11 0.00 0.00 179.97 177.69 2aas h GLN 11 N -0.21 0.13 0.00 0.20 4.20 -1.03 -3.42 115.11 114.97 2aas h GLN 11 Ca 0.03 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 2aas h GLN 11 Cb 0.24 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2aas h GLN 11 CO -0.08 0.72 -1.12 0.72 -0.67 0.00 0.00 178.83 178.39 2aas n HIS 12 N -3.82 0.00 -2.84 2.96 8.25 0.36 -4.46 115.22 115.67 2aas n HIS 12 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 2aas n HIS 12 Cb 0.64 -0.08 -0.04 0.00 1.12 0.00 0.00 29.99 31.62 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 -2.04 4.00 -0.26 -0.41 -1.94 0.14 0.41 119.30 119.20 2aas s MET 13 Ca -0.03 0.76 0.12 0.00 -1.71 0.00 0.00 55.69 54.83 2aas s MET 13 Cb 0.01 -3.73 0.47 0.00 2.01 0.00 0.00 34.83 33.59 2aas s MET 13 CO 0.05 -0.75 1.17 -0.25 -0.01 0.00 0.00 175.02 175.24 2aas n ASP 14 N 6.41 3.51 -0.14 3.03 9.92 -0.03 -4.89 116.55 134.36 2aas n ASP 14 Ca 0.06 -3.26 0.18 0.00 -0.53 0.00 0.00 54.79 51.25 2aas n ASP 14 Cb 0.48 -0.40 0.57 0.00 -0.64 0.00 0.00 41.12 41.13 2aas n ASP 14 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 2aas h SER 15 N 2.07 0.26 -0.98 -2.24 0.87 -1.74 -0.23 113.55 111.57 2aas h SER 15 Ca 0.17 0.02 0.22 0.00 -1.23 0.00 0.00 61.79 60.97 2aas h SER 15 Cb 1.43 -0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 63.27 2aas h SER 15 CO 0.49 0.13 0.63 0.28 -0.53 0.00 0.00 176.83 177.83 2aas h SER 16 N 0.27 0.49 -3.41 6.23 0.02 -1.91 -3.40 113.55 111.84 2aas h SER 16 Ca 0.36 0.07 -0.67 0.00 -0.84 0.00 0.00 61.79 60.71 2aas h SER 16 Cb 1.03 -0.02 -0.29 0.00 0.14 0.00 0.00 62.40 63.26 2aas h SER 16 CO -0.09 0.16 -0.82 0.42 -1.14 0.00 0.00 176.83 175.36 2aas s THR 17 N -5.53 2.61 -0.35 -2.27 -4.23 -0.10 -5.03 115.64 100.74 2aas s THR 17 Ca -0.09 -0.83 0.26 0.00 -1.18 0.00 0.00 61.69 59.86 2aas s THR 17 Cb 0.24 -2.05 0.34 0.00 1.34 0.00 0.00 72.50 72.37 2aas s THR 17 CO 0.79 0.54 1.74 0.28 -0.54 0.00 0.00 174.62 177.44 2aas h SER 18 N 6.59 0.00 -4.26 3.99 0.02 -1.79 -3.44 113.55 114.66 2aas h SER 18 Ca -0.25 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 60.82 2aas h SER 18 Cb 1.22 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.56 2aas h SER 18 CO 0.52 0.00 0.58 0.00 -1.14 0.00 0.00 176.83 176.78 2aas s ALA 19 N -3.32 -1.92 0.13 3.77 0.00 -1.26 -4.85 121.76 114.31 2aas s ALA 19 Ca 0.06 1.42 -0.30 0.00 0.00 0.00 0.00 51.96 53.14 2aas s ALA 19 Cb 0.08 -0.32 -0.07 0.00 0.00 0.00 0.00 23.12 22.81 2aas s ALA 19 CO 0.60 -0.46 1.23 0.00 0.00 0.00 0.00 175.76 177.13 2aas s ALA 20 N -1.90 3.44 0.23 0.00 0.00 -1.26 -4.99 121.76 117.29 2aas s ALA 20 Ca 0.02 0.94 -0.08 0.00 0.00 0.00 0.00 51.96 52.84 2aas s ALA 20 Cb -0.01 -3.45 0.22 0.00 0.00 0.00 0.00 23.12 19.89 2aas s ALA 20 CO -0.03 -0.43 1.90 0.66 0.00 0.00 0.00 175.76 177.86 2aas h SER 21 N 6.08 1.06 0.00 0.00 4.64 -1.98 -3.43 113.55 119.91 2aas h SER 21 Ca -0.43 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2aas h SER 21 Cb 1.21 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2aas h SER 21 CO 0.79 0.79 0.00 -0.24 -0.87 0.00 0.00 176.83 177.30 2aas n SER 22 N -4.43 0.00 0.22 4.97 2.88 -1.26 -5.01 113.62 110.99 2aas n SER 22 Ca 0.10 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.82 2aas n SER 22 Cb 0.03 0.00 0.81 0.00 -0.75 0.00 0.00 64.21 64.30 2aas n SER 22 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2aas h SER 23 N 0.00 0.00 0.07 -3.46 0.87 -1.90 -2.57 113.55 106.56 2aas h SER 23 Ca 0.00 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.36 2aas h SER 23 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2aas h SER 23 CO 0.00 0.00 -0.72 -0.55 -0.53 0.00 0.00 176.83 175.03 2aas h ASN 24 N 0.00 0.68 -0.43 6.23 -1.07 -1.88 -3.34 115.58 115.77 2aas h ASN 24 Ca 0.09 -0.43 0.04 0.00 0.07 0.00 0.00 56.30 56.06 2aas h ASN 24 Cb 0.77 -0.20 -0.05 0.00 -2.07 0.00 0.00 38.32 36.77 2aas h ASN 24 CO -0.00 1.20 -0.25 0.00 0.07 0.00 0.00 177.43 178.44 2aas n TYR 25 N -3.89 -0.19 0.23 4.14 9.36 -0.97 -1.88 117.16 123.96 2aas n TYR 25 Ca -0.05 0.54 0.12 0.00 3.32 0.00 0.00 57.90 61.83 2aas n TYR 25 Cb 0.71 -0.53 0.73 0.00 -0.63 0.00 0.00 39.34 39.62 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 -0.33 0.03 0.00 4.21 -1.59 -0.38 115.58 117.52 2aas h ASN 27 Ca 0.04 0.12 -0.05 0.00 1.21 0.00 0.00 56.30 57.63 2aas h ASN 27 Cb 0.19 0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.64 2aas h ASN 27 CO -0.00 -0.11 -0.24 1.56 -1.29 0.00 0.00 177.43 177.34 2aas h GLN 28 N 0.04 0.07 -0.31 0.81 7.50 -1.57 -3.36 115.11 118.28 2aas h GLN 28 Ca 0.22 -0.11 -0.01 0.00 0.50 0.00 0.00 58.65 59.25 2aas h GLN 28 Cb 0.34 0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.90 2aas h GLN 28 CO -0.43 1.05 0.16 1.98 -1.50 0.00 0.00 178.83 180.09 2aas h MET 29 N -0.86 0.45 -0.85 1.46 4.05 -1.07 -2.83 114.93 115.28 2aas h MET 29 Ca -0.05 -0.06 0.06 0.00 -0.28 0.00 0.00 59.70 59.37 2aas h MET 29 Cb 1.16 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.82 2aas h MET 29 CO 0.02 0.41 0.55 0.52 0.23 0.00 0.00 176.91 178.65 2aas h MET 30 N 0.37 0.93 0.01 0.39 2.86 -1.26 -2.24 114.93 115.98 2aas h MET 30 Ca 0.11 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2aas h MET 30 Cb 0.10 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 2aas h MET 30 CO -0.01 0.61 -0.09 0.87 1.06 0.00 0.00 176.91 179.35 2aas h LYS 31 N 0.95 -0.15 -0.35 1.72 1.79 -1.65 -2.57 116.57 116.31 2aas h LYS 31 Ca 0.36 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.90 2aas h LYS 31 Cb 0.20 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.87 2aas h LYS 31 CO -0.13 -0.10 0.24 1.03 -1.08 0.00 0.00 179.45 179.41 2aas h SER 32 N -0.16 0.20 -0.27 0.86 0.87 -1.30 -0.97 113.55 112.79 2aas h SER 32 Ca 0.03 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2aas h SER 32 Cb 0.20 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2aas h SER 32 CO -0.09 0.13 0.00 0.54 -0.53 0.00 0.00 176.83 176.89 2aas n ARG 33 N -4.48 2.07 -0.65 2.24 5.12 -0.98 -4.92 116.66 115.06 2aas n ARG 33 Ca 0.04 -1.14 0.00 0.00 -1.93 0.00 0.00 57.85 54.82 2aas n ARG 33 Cb 0.26 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.07 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 0.31 -0.88 0.16 0.55 3.02 -0.37 -4.86 115.26 113.19 2aas n ASN 34 Ca 0.10 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.78 2aas n ASN 34 Cb 0.42 -2.23 0.66 0.00 -0.61 0.00 0.00 39.78 38.02 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 0.00 -2.47 3.41 3.38 -1.71 -1.00 115.31 116.93 2aas h LEU 35 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2aas h LEU 35 Cb 0.13 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2aas h LEU 35 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 2aas n THR 36 N -4.48 0.72 0.86 0.22 -2.24 -1.26 -4.34 114.28 103.77 2aas n THR 36 Ca 0.02 -0.86 0.09 0.00 -2.27 0.00 0.00 64.05 61.03 2aas n THR 36 Cb 0.29 0.70 0.45 0.00 -2.10 0.00 0.00 70.33 69.67 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 0.46 0.28 0.05 -0.78 4.01 -0.38 -3.44 118.16 118.35 2aas n LYS 37 Ca 0.09 0.11 -0.00 0.00 -0.51 0.00 0.00 58.31 58.00 2aas n LYS 37 Cb 0.36 -1.50 -0.00 0.00 -0.51 0.00 0.00 35.03 33.38 2aas n LYS 37 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2aas n ASP 38 N -1.26 1.06 -4.07 4.39 8.00 -1.26 -5.07 116.55 118.33 2aas n ASP 38 Ca 0.09 0.13 -0.07 0.00 0.71 0.00 0.00 54.79 55.65 2aas n ASP 38 Cb 0.13 -0.32 -0.10 0.00 -0.02 0.00 0.00 41.12 40.81 2aas n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aas s ARG 39 N -2.01 0.66 -0.38 -1.24 1.70 -1.22 -5.08 118.95 111.38 2aas s ARG 39 Ca -0.00 -1.21 -0.28 0.00 -0.47 0.00 0.00 55.73 53.77 2aas s ARG 39 Cb 0.00 0.23 -0.03 0.00 -0.57 0.00 0.00 34.95 34.58 2aas s ARG 39 CO 0.00 -0.14 1.90 0.00 -1.08 0.00 0.00 175.30 175.98 2aas s LYS 41 N 6.18 4.19 0.35 0.00 2.20 -1.26 -4.92 119.74 126.49 2aas s LYS 41 Ca 0.81 2.14 0.09 0.00 -0.36 0.00 0.00 55.97 58.65 2aas s LYS 41 Cb -0.21 -3.92 0.83 0.00 -1.51 0.00 0.00 37.83 33.02 2aas s LYS 41 CO 0.31 -0.81 1.84 -1.35 -0.36 0.00 0.00 175.35 174.98 2aas h PRO 42 N 9.25 0.66 -3.10 4.03 0.11 -1.95 -3.44 132.00 137.55 2aas h PRO 42 Ca -0.38 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.54 2aas h PRO 42 Cb 1.17 -0.15 -0.24 0.00 0.11 0.00 0.00 31.00 31.90 2aas h PRO 42 CO 0.95 0.43 -0.38 0.54 -0.21 0.00 0.00 178.00 179.34 2aas s VAL 43 N -5.69 0.02 -0.06 3.15 0.11 -1.26 -1.04 120.40 115.62 2aas s VAL 43 Ca -0.10 -0.17 -0.29 0.00 -2.93 0.00 0.00 61.98 58.49 2aas s VAL 43 Cb 0.23 -0.44 0.06 0.00 -1.53 0.00 0.00 36.38 34.70 2aas s VAL 43 CO 0.79 -0.09 0.64 0.21 -3.33 0.00 0.00 175.10 173.32 2aas s ASN 44 N -0.31 -0.61 -0.19 3.54 3.84 0.01 -5.02 114.94 116.19 2aas s ASN 44 Ca -0.04 0.70 0.01 0.00 0.21 0.00 0.00 52.86 53.74 2aas s ASN 44 Cb -0.03 0.58 0.03 0.00 -0.55 0.00 0.00 41.25 41.28 2aas s ASN 44 CO 0.01 -0.56 -0.16 -0.89 -2.79 0.00 0.00 177.10 172.71 2aas s THR 45 N -1.09 1.94 0.38 -5.21 2.01 -1.26 0.32 115.64 112.73 2aas s THR 45 Ca -0.10 -1.04 -0.15 0.00 0.31 0.00 0.00 61.69 60.70 2aas s THR 45 Cb -0.01 -1.86 -0.09 0.00 0.01 0.00 0.00 72.50 70.55 2aas s THR 45 CO 0.09 0.35 0.81 -0.36 -0.69 0.00 0.00 174.62 174.82 2aas s PHE 46 N 1.30 3.39 -0.23 4.92 0.08 0.10 -4.52 117.98 123.03 2aas s PHE 46 Ca 0.01 1.28 0.01 0.00 0.12 0.00 0.00 56.93 58.35 2aas s PHE 46 Cb -0.15 -2.60 0.06 0.00 -0.57 0.00 0.00 43.02 39.76 2aas s PHE 46 CO -0.10 -0.03 -0.06 0.08 -0.10 0.00 0.00 175.22 175.00 2aas s VAL 47 N -2.17 1.56 -0.50 -0.44 1.01 0.16 0.46 120.40 120.48 2aas s VAL 47 Ca 0.55 -1.18 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 2aas s VAL 47 Cb -0.10 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 2aas s VAL 47 CO 0.21 -0.04 2.95 1.41 0.00 0.00 0.00 175.10 179.63 2aas n HIS 48 N 4.67 1.36 -4.25 5.22 8.25 0.38 -0.85 115.22 130.00 2aas n HIS 48 Ca -0.13 -1.99 -0.14 0.00 -0.26 0.00 0.00 57.72 55.20 2aas n HIS 48 Cb 0.44 -1.55 -0.10 0.00 1.12 0.00 0.00 29.99 29.91 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 -0.78 1.08 0.73 -0.41 0.41 -1.26 -4.70 118.70 113.76 2aas s GLU 49 Ca 0.61 -1.48 -0.13 0.00 -0.41 0.00 0.00 54.97 53.56 2aas s GLU 49 Cb 0.33 -0.50 0.03 0.00 -1.78 0.00 0.00 34.13 32.21 2aas s GLU 49 CO -0.14 0.00 1.10 -1.54 -0.49 0.00 0.00 175.26 174.19 2aas s SER 50 N -3.17 4.71 0.22 -0.19 1.04 -1.26 -3.33 113.70 111.72 2aas s SER 50 Ca 0.19 1.93 -0.07 0.00 0.48 0.00 0.00 55.95 58.48 2aas s SER 50 Cb 0.04 -2.54 0.35 0.00 0.10 0.00 0.00 66.02 63.97 2aas s SER 50 CO 0.02 -1.90 1.74 0.25 0.98 0.00 0.00 173.24 174.33 2aas h LEU 51 N -0.61 0.28 -0.59 2.42 5.85 -1.98 -2.45 115.31 118.22 2aas h LEU 51 Ca -0.45 0.09 0.12 0.00 0.84 0.00 0.00 57.88 58.47 2aas h LEU 51 Cb 1.24 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 42.24 2aas h LEU 51 CO 0.52 0.14 0.07 0.00 -0.34 0.00 0.00 178.44 178.83 2aas h ALA 52 N 1.47 0.64 -0.83 1.25 0.00 -1.98 0.30 119.26 120.10 2aas h ALA 52 Ca 0.35 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.42 2aas h ALA 52 Cb 0.46 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2aas h ALA 52 CO -0.34 -0.35 0.54 -0.44 0.00 0.00 0.00 179.25 178.67 2aas h ASP 53 N 0.19 0.96 0.71 0.00 3.32 -1.83 -1.50 116.42 118.27 2aas h ASP 53 Ca 0.31 -0.03 -0.26 0.00 0.02 0.00 0.00 57.03 57.07 2aas h ASP 53 Cb 0.48 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 2aas h ASP 53 CO -0.45 0.70 -1.37 0.58 -1.72 0.00 0.00 179.24 176.99 2aas h VAL 54 N 1.13 1.28 -0.61 -1.35 2.07 -0.91 -3.09 116.25 114.77 2aas h VAL 54 Ca 0.30 -3.04 0.09 0.00 0.82 0.00 0.00 66.70 64.87 2aas h VAL 54 Cb -0.12 2.66 -0.04 0.00 -1.52 0.00 0.00 31.29 32.27 2aas h VAL 54 CO -0.06 0.75 0.41 1.56 0.02 0.00 0.00 177.57 180.25 2aas h GLN 55 N 0.01 0.47 0.00 1.57 4.20 -0.22 -0.78 115.11 120.36 2aas h GLN 55 Ca -0.16 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.53 2aas h GLN 55 Cb 1.90 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.58 2aas h GLN 55 CO 0.11 0.31 0.00 0.00 -0.67 0.00 0.00 178.83 178.58 2aas h ALA 56 N 1.69 1.00 0.07 3.87 0.00 -1.19 -1.89 119.26 122.81 2aas h ALA 56 Ca 0.28 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.88 2aas h ALA 56 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2aas h ALA 56 CO -0.08 0.00 -1.64 0.28 0.00 0.00 0.00 179.25 177.81 2aas h VAL 57 N 0.00 0.99 0.00 0.00 2.07 -1.21 -3.34 116.25 114.76 2aas h VAL 57 Ca 0.00 -2.72 -0.00 0.00 0.82 0.00 0.00 66.70 64.80 2aas h VAL 57 Cb 0.12 2.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 2aas h VAL 57 CO 0.00 0.74 -0.01 0.00 0.02 0.00 0.00 177.57 178.32 2aas n SER 59 N -3.41 5.11 0.00 0.00 3.41 -1.22 -4.93 113.62 112.58 2aas n SER 59 Ca -0.03 -3.16 0.00 0.00 -0.26 0.00 0.00 58.87 55.42 2aas n SER 59 Cb 0.10 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 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 0.04 3.66 -2.49 4.33 6.02 -0.30 -5.09 117.38 123.55 2aas n GLN 60 Ca 0.39 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.95 2aas n GLN 60 Cb 1.36 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 32.60 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 1.75 4.43 0.20 -1.09 -0.14 -1.26 -4.83 119.74 118.80 2aas s LYS 61 Ca 0.00 1.67 -0.30 0.00 -1.36 0.00 0.00 55.97 55.98 2aas s LYS 61 Cb 0.00 -3.44 -0.08 0.00 -1.68 0.00 0.00 37.83 32.63 2aas s LYS 61 CO 0.00 -0.29 1.07 1.21 -0.76 0.00 0.00 175.35 176.59 2aas s ASN 62 N 1.19 7.32 0.30 2.83 3.84 -1.26 -1.27 114.94 127.88 2aas s ASN 62 Ca 0.56 2.09 0.05 0.00 0.21 0.00 0.00 52.86 55.77 2aas s ASN 62 Cb -0.26 -2.61 -0.03 0.00 -0.55 0.00 0.00 41.25 37.80 2aas s ASN 62 CO 0.26 -0.16 0.22 0.68 -2.79 0.00 0.00 177.10 175.32 2aas s VAL 63 N -0.49 0.04 -0.05 -5.21 -7.23 0.29 -4.94 120.40 102.81 2aas s VAL 63 Ca 0.47 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.52 2aas s VAL 63 Cb -0.29 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 34.10 2aas s VAL 63 CO 0.35 0.00 0.31 0.00 -0.31 0.00 0.00 175.10 175.45 2aas s ALA 64 N -3.64 3.75 0.79 1.32 0.00 -1.26 -1.69 121.76 121.02 2aas s ALA 64 Ca 0.39 -0.38 -0.11 0.00 0.00 0.00 0.00 51.96 51.87 2aas s ALA 64 Cb 0.04 -2.25 0.06 0.00 0.00 0.00 0.00 23.12 20.98 2aas s ALA 64 CO 0.22 0.50 1.09 0.00 0.00 0.00 0.00 175.76 177.57 2aas h LYS 66 N -1.14 0.47 0.00 0.00 1.57 -1.91 0.19 116.57 115.75 2aas h LYS 66 Ca -0.45 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2aas h LYS 66 Cb 1.24 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2aas h LYS 66 CO 0.53 0.31 0.00 -2.95 -0.57 0.00 0.00 179.45 176.77 2aas h ASN 67 N 0.48 0.00 0.00 0.86 -1.07 -2.00 -3.47 115.58 110.39 2aas h ASN 67 Ca 0.57 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.94 2aas h ASN 67 Cb 1.04 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.29 2aas h ASN 67 CO -0.49 0.00 0.00 0.61 0.07 0.00 0.00 177.43 177.62 2aas n GLY 68 N -0.08 0.67 3.78 9.14 0.00 0.68 -5.09 105.19 114.29 2aas n GLY 68 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 2aas n GLY 68 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2aas s GLN 69 N -0.58 4.39 0.00 1.61 -2.07 -1.25 -4.65 119.66 117.11 2aas s GLN 69 Ca 0.00 1.46 0.18 0.00 -1.82 0.00 0.00 55.36 55.17 2aas s GLN 69 Cb 0.00 -2.71 1.06 0.00 -1.09 0.00 0.00 33.01 30.27 2aas s GLN 69 CO 0.00 0.07 1.68 0.25 -1.32 0.00 0.00 175.29 175.98 2aas n THR 70 N 0.31 0.00 -3.67 3.63 -2.24 -1.26 -0.33 114.28 110.72 2aas n THR 70 Ca 0.03 -0.01 -0.30 0.00 -2.27 0.00 0.00 64.05 61.50 2aas n THR 70 Cb 0.49 -0.27 -0.09 0.00 -2.10 0.00 0.00 70.33 68.37 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 -0.76 3.68 -4.33 3.42 6.94 -1.26 -4.57 115.26 118.39 2aas n ASN 71 Ca 0.13 -3.27 -0.17 0.00 -0.02 0.00 0.00 54.58 51.25 2aas n ASN 71 Cb 0.07 -0.83 -0.10 0.00 -2.36 0.00 0.00 39.78 36.55 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 -3.24 0.46 -0.03 0.00 1.51 -0.11 -0.55 117.35 115.39 2aas s TYR 73 Ca 0.25 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.90 2aas s TYR 73 Cb 0.04 -0.29 -0.04 0.00 -0.11 0.00 0.00 41.96 41.56 2aas s TYR 73 CO 0.07 -0.09 0.09 -1.14 -1.11 0.00 0.00 175.55 173.37 2aas s GLN 74 N -1.14 3.15 -0.26 -0.62 2.00 -0.40 -1.90 119.66 120.49 2aas s GLN 74 Ca -0.08 -0.40 -0.17 0.00 -2.00 0.00 0.00 55.36 52.71 2aas s GLN 74 Cb -0.08 -2.92 -0.03 0.00 0.80 0.00 0.00 33.01 30.78 2aas s GLN 74 CO -0.00 0.68 0.45 -1.54 -0.50 0.00 0.00 175.29 174.38 2aas s SER 75 N -1.53 6.36 0.22 6.67 1.04 -0.72 -4.06 113.70 121.67 2aas s SER 75 Ca 0.21 0.43 0.20 0.00 0.48 0.00 0.00 55.95 57.27 2aas s SER 75 Cb -0.12 -2.25 0.90 0.00 0.10 0.00 0.00 66.02 64.65 2aas s SER 75 CO 0.11 -0.23 1.61 -1.22 0.98 0.00 0.00 173.24 174.49 2aas n TYR 76 N 5.38 0.61 -4.11 5.02 4.01 -1.26 -4.39 117.16 122.42 2aas n TYR 76 Ca -0.06 0.26 -0.27 0.00 -0.16 0.00 0.00 57.90 57.67 2aas n TYR 76 Cb 0.50 -0.92 -0.06 0.00 -0.31 0.00 0.00 39.34 38.55 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 -3.92 5.31 0.44 7.72 1.04 -1.26 -5.12 113.70 117.92 2aas s SER 77 Ca 0.03 -0.18 -0.22 0.00 0.48 0.00 0.00 55.95 56.06 2aas s SER 77 Cb 0.08 -1.33 -0.10 0.00 0.10 0.00 0.00 66.02 64.77 2aas s SER 77 CO 0.30 0.09 1.00 0.42 0.98 0.00 0.00 173.24 176.03 2aas s THR 78 N -1.67 4.05 0.09 2.02 -4.23 -1.26 -4.55 115.64 110.09 2aas s THR 78 Ca 0.30 1.35 0.09 0.00 -1.18 0.00 0.00 61.69 62.24 2aas s THR 78 Cb -0.10 -3.59 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 2aas s THR 78 CO 0.22 -0.20 -0.22 -0.04 -0.54 0.00 0.00 174.62 173.83 2aas s MET 79 N -3.01 1.25 -0.54 3.99 -1.94 0.64 -4.84 119.30 114.85 2aas s MET 79 Ca 0.63 -1.16 -0.26 0.00 -1.71 0.00 0.00 55.69 53.19 2aas s MET 79 Cb -0.14 -1.54 -0.05 0.00 2.01 0.00 0.00 34.83 35.11 2aas s MET 79 CO 0.19 0.37 2.20 0.45 -0.01 0.00 0.00 175.02 178.22 2aas s SER 80 N -1.78 4.74 0.03 3.03 0.15 -1.26 -1.50 113.70 117.11 2aas s SER 80 Ca 0.08 0.79 0.09 0.00 0.70 0.00 0.00 55.95 57.61 2aas s SER 80 Cb -0.10 -2.51 -0.03 0.00 -1.71 0.00 0.00 66.02 61.67 2aas s SER 80 CO 0.04 -2.70 -0.26 0.27 1.20 0.00 0.00 173.24 171.79 2aas s ILE 81 N 11.06 2.16 -0.44 6.45 -5.25 0.24 -0.47 121.20 134.95 2aas s ILE 81 Ca 0.86 -1.33 -0.01 0.00 -0.99 0.00 0.00 60.65 59.17 2aas s ILE 81 Cb -0.15 -1.82 0.12 0.00 2.95 0.00 0.00 42.46 43.55 2aas s ILE 81 CO 0.24 0.40 0.22 -0.89 -1.79 0.00 0.00 174.94 173.12 2aas s THR 82 N -0.78 3.15 -0.12 8.37 2.01 0.17 -0.76 115.64 127.68 2aas s THR 82 Ca 0.12 -2.34 -0.28 0.00 0.31 0.00 0.00 61.69 59.50 2aas s THR 82 Cb -0.10 -3.16 -0.02 0.00 0.01 0.00 0.00 72.50 69.23 2aas s THR 82 CO 0.02 -0.72 0.92 -0.62 -0.69 0.00 0.00 174.62 173.53 2aas s ASP 83 N 1.34 7.13 -0.20 3.53 -1.08 -0.04 0.00 116.67 127.34 2aas s ASP 83 Ca 0.11 1.38 0.00 0.00 -0.52 0.00 0.00 52.55 53.52 2aas s ASP 83 Cb -0.22 -2.51 0.05 0.00 -1.46 0.00 0.00 42.92 38.78 2aas s ASP 83 CO -0.04 -0.39 -0.07 0.00 0.52 0.00 0.00 175.17 175.19 2aas s ARG 85 N 1.46 1.87 0.21 0.00 0.52 -0.28 -0.81 118.95 121.92 2aas s ARG 85 Ca -0.03 -0.94 -0.30 0.00 -0.52 0.00 0.00 55.73 53.94 2aas s ARG 85 Cb -0.17 -1.89 -0.09 0.00 0.52 0.00 0.00 34.95 33.32 2aas s ARG 85 CO -0.07 0.51 1.38 -2.00 0.02 0.00 0.00 175.30 175.13 2aas s GLU 86 N -0.80 4.33 0.62 3.54 2.56 -0.21 0.47 118.70 129.22 2aas s GLU 86 Ca 0.10 2.16 -0.09 0.00 0.00 0.00 0.00 54.97 57.14 2aas s GLU 86 Cb -0.09 -3.17 -0.01 0.00 2.00 0.00 0.00 34.13 32.86 2aas s GLU 86 CO 0.00 -0.35 0.99 0.95 -0.56 0.00 0.00 175.26 176.29 2aas s THR 87 N 0.21 4.03 0.37 -1.70 -4.23 -0.40 -4.77 115.64 109.14 2aas s THR 87 Ca 0.59 0.42 0.33 0.00 -1.18 0.00 0.00 61.69 61.84 2aas s THR 87 Cb -0.39 -3.62 0.35 0.00 1.34 0.00 0.00 72.50 70.18 2aas s THR 87 CO 0.39 -0.75 2.10 1.23 -0.54 0.00 0.00 174.62 177.05 2aas h GLY 88 N -0.33 0.00 -3.59 3.99 0.00 -1.96 -3.17 103.07 98.01 2aas h GLY 88 Ca -0.45 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.38 2aas h GLY 88 CO 0.62 0.00 0.46 -1.14 0.00 0.00 0.00 176.54 176.49 2aas n SER 89 N -3.36 4.71 -4.57 0.19 3.41 -1.26 -4.93 113.62 107.81 2aas n SER 89 Ca -0.01 -3.71 -0.43 0.00 -0.26 0.00 0.00 58.87 54.46 2aas n SER 89 Cb 0.23 -0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 63.35 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 -1.88 6.45 -0.05 4.04 1.04 -1.20 -4.57 113.70 117.53 2aas s SER 90 Ca 0.56 0.05 -0.01 0.00 0.48 0.00 0.00 55.95 57.03 2aas s SER 90 Cb 0.47 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 64.04 2aas s SER 90 CO 0.05 -1.36 0.04 -0.75 0.98 0.00 0.00 173.24 172.20 2aas s LYS 91 N 4.55 3.02 0.01 4.02 2.20 -1.20 -4.88 119.74 127.47 2aas s LYS 91 Ca 0.40 -0.44 -0.27 0.00 -0.36 0.00 0.00 55.97 55.31 2aas s LYS 91 Cb -0.09 -2.83 -0.04 0.00 -1.51 0.00 0.00 37.83 33.36 2aas s LYS 91 CO 0.25 0.68 0.83 -0.47 -0.36 0.00 0.00 175.35 176.28 2aas s TYR 92 N -1.03 3.69 -1.73 4.03 5.04 -1.26 -0.55 117.35 125.53 2aas s TYR 92 Ca 0.17 1.52 0.27 0.00 -2.44 0.00 0.00 57.07 56.60 2aas s TYR 92 Cb -0.12 -2.93 0.97 0.00 0.35 0.00 0.00 41.96 40.24 2aas s TYR 92 CO 0.07 0.14 1.70 -0.35 -1.34 0.00 0.00 175.55 175.78 2aas n PRO 93 N 3.34 0.80 -2.23 4.97 -0.04 -1.26 -4.99 135.00 135.59 2aas n PRO 93 Ca 0.01 -0.40 -0.42 0.00 -0.04 0.00 0.00 63.50 62.65 2aas n PRO 93 Cb 0.51 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.75 4.89 -4.77 3.54 6.94 0.29 -4.94 115.26 120.45 2aas n ASN 94 Ca 0.13 -3.07 -0.36 0.00 -0.02 0.00 0.00 54.58 51.26 2aas n ASN 94 Cb 0.32 -1.51 0.01 0.00 -2.36 0.00 0.00 39.78 36.24 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 -1.58 1.59 0.03 0.00 0.00 -1.26 -4.47 121.76 116.07 2aas s ALA 96 Ca 0.69 -0.63 0.08 0.00 0.00 0.00 0.00 51.96 52.10 2aas s ALA 96 Cb -0.29 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 2aas s ALA 96 CO 0.34 0.09 -0.22 0.71 0.00 0.00 0.00 175.76 176.67 2aas s TYR 97 N 0.71 1.95 -0.99 0.00 2.02 -1.26 -1.28 117.35 118.49 2aas s TYR 97 Ca -0.13 -0.38 -0.23 0.00 -0.37 0.00 0.00 57.07 55.96 2aas s TYR 97 Cb -0.16 -1.18 0.05 0.00 -0.40 0.00 0.00 41.96 40.27 2aas s TYR 97 CO 0.03 0.07 1.42 0.15 -1.57 0.00 0.00 175.55 175.66 2aas s LYS 98 N -1.05 3.56 -0.30 -0.62 1.02 0.18 -4.68 119.74 117.85 2aas s LYS 98 Ca 0.09 -1.07 -0.12 0.00 0.02 0.00 0.00 55.97 54.89 2aas s LYS 98 Cb -0.09 -5.24 -0.04 0.00 -0.52 0.00 0.00 37.83 31.94 2aas s LYS 98 CO 0.01 -2.19 0.22 0.99 -0.92 0.00 0.00 175.35 173.46 2aas s THR 99 N 4.95 5.29 -0.14 2.17 2.01 -1.25 -1.13 115.64 127.54 2aas s THR 99 Ca 0.45 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.54 2aas s THR 99 Cb -0.01 -3.60 0.01 0.00 0.01 0.00 0.00 72.50 68.91 2aas s THR 99 CO -0.08 0.17 -0.21 -0.89 -0.69 0.00 0.00 174.62 172.92 2aas s THR 100 N 1.77 2.18 -0.38 -0.82 2.01 0.48 -3.82 115.64 117.05 2aas s THR 100 Ca 0.07 -0.94 -0.21 0.00 0.31 0.00 0.00 61.69 60.93 2aas s THR 100 Cb -0.16 -1.88 0.01 0.00 0.01 0.00 0.00 72.50 70.47 2aas s THR 100 CO 0.11 0.54 0.66 -1.58 -0.69 0.00 0.00 174.62 173.66 2aas s GLN 101 N 0.84 3.57 0.00 4.92 2.00 -1.26 -0.86 119.66 128.87 2aas s GLN 101 Ca -0.06 -0.04 0.01 0.00 -2.00 0.00 0.00 55.36 53.26 2aas s GLN 101 Cb -0.15 -3.85 -0.01 0.00 0.80 0.00 0.00 33.01 29.80 2aas s GLN 101 CO -0.02 -0.84 -0.02 0.00 -0.50 0.00 0.00 175.29 173.91 2aas s ALA 102 N 2.80 0.17 -0.73 1.58 0.00 0.06 -5.03 121.76 120.61 2aas s ALA 102 Ca 0.25 -0.18 -0.16 0.00 0.00 0.00 0.00 51.96 51.87 2aas s ALA 102 Cb -0.14 -0.01 0.17 0.00 0.00 0.00 0.00 23.12 23.14 2aas s ALA 102 CO 0.16 0.01 0.72 -0.80 0.00 0.00 0.00 175.76 175.85 2aas s ASN 103 N -0.31 6.51 0.18 0.00 -0.87 -1.26 -0.59 114.94 118.60 2aas s ASN 103 Ca -0.02 -2.21 0.06 0.00 -1.57 0.00 0.00 52.86 49.12 2aas s ASN 103 Cb -0.02 -2.24 -0.05 0.00 -0.02 0.00 0.00 41.25 38.92 2aas s ASN 103 CO -0.00 -0.78 -0.12 -0.54 -2.57 0.00 0.00 177.10 173.09 2aas s LYS 104 N 1.16 1.21 0.21 -0.60 1.02 -0.56 -4.70 119.74 117.47 2aas s LYS 104 Ca 0.14 -1.53 -0.20 0.00 0.02 0.00 0.00 55.97 54.40 2aas s LYS 104 Cb -0.17 -0.88 -0.08 0.00 -0.52 0.00 0.00 37.83 36.18 2aas s LYS 104 CO -0.04 0.13 0.72 -1.01 -0.92 0.00 0.00 175.35 174.23 2aas s HIS 105 N -3.15 3.68 -0.01 3.18 3.76 -1.26 -0.26 115.29 121.24 2aas s HIS 105 Ca 0.20 1.41 0.04 0.00 -0.15 0.00 0.00 55.06 56.55 2aas s HIS 105 Cb 0.01 -2.63 -0.03 0.00 1.11 0.00 0.00 32.58 31.04 2aas s HIS 105 CO 0.04 0.37 -0.10 0.96 -0.85 0.00 0.00 174.74 175.15 2aas s ILE 106 N -1.46 3.38 -0.29 0.60 -4.36 -1.26 -0.16 121.20 117.64 2aas s ILE 106 Ca 0.42 -0.80 -0.06 0.00 -0.26 0.00 0.00 60.65 59.95 2aas s ILE 106 Cb -0.17 -2.42 0.02 0.00 1.25 0.00 0.00 42.46 41.13 2aas s ILE 106 CO 0.21 0.45 0.06 -0.63 0.24 0.00 0.00 174.94 175.28 2aas s ILE 107 N -0.90 3.75 -0.06 8.37 1.01 0.40 -1.75 121.20 132.02 2aas s ILE 107 Ca 0.15 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 60.01 2aas s ILE 107 Cb -0.11 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.38 2aas s ILE 107 CO 0.05 0.06 -0.16 0.68 0.00 0.00 0.00 174.94 175.56 2aas s VAL 108 N 1.45 2.85 -0.11 2.92 -7.23 -0.80 -1.78 120.40 117.71 2aas s VAL 108 Ca 0.01 -0.79 -0.24 0.00 -1.81 0.00 0.00 61.98 59.15 2aas s VAL 108 Cb -0.17 -2.11 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 2aas s VAL 108 CO 0.01 0.58 0.75 0.00 -0.31 0.00 0.00 175.10 176.13 2aas s ALA 109 N -0.50 3.41 0.06 1.32 0.00 0.48 -0.93 121.76 125.59 2aas s ALA 109 Ca 0.07 0.08 0.09 0.00 0.00 0.00 0.00 51.96 52.19 2aas s ALA 109 Cb -0.12 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 2aas s ALA 109 CO 0.01 -0.34 -0.24 0.00 0.00 0.00 0.00 175.76 175.20 2aas s GLU 111 N -1.34 1.51 0.48 0.00 0.41 -0.13 -4.90 118.70 114.72 2aas s GLU 111 Ca 0.10 -0.89 0.00 0.00 -0.41 0.00 0.00 54.97 53.77 2aas s GLU 111 Cb -0.10 0.55 0.00 0.00 -1.78 0.00 0.00 34.13 32.81 2aas s GLU 111 CO 0.02 -0.66 0.00 0.41 -0.49 0.00 0.00 175.26 174.54 2aas n GLY 112 N -0.39 -1.90 2.90 -1.39 0.00 -1.26 -0.58 105.19 102.57 2aas n GLY 112 Ca -0.08 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.08 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 -3.97 0.34 0.48 1.61 2.47 -1.26 -3.58 114.94 111.03 2aas s ASN 113 Ca 0.00 0.20 -0.22 0.00 0.42 0.00 0.00 52.86 53.26 2aas s ASN 113 Cb 0.00 1.05 -0.07 0.00 -1.45 0.00 0.00 41.25 40.78 2aas s ASN 113 CO 0.00 -0.30 1.16 -2.16 -3.72 0.00 0.00 177.10 172.08 2aas s PRO 114 N 2.53 3.65 -0.14 0.43 0.04 -1.26 -5.06 135.00 135.19 2aas s PRO 114 Ca 0.12 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 62.61 2aas s PRO 114 Cb -0.15 -2.30 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 2aas s PRO 114 CO -0.15 -0.64 1.76 -0.47 0.04 0.00 0.00 177.00 177.54 2aas s TYR 115 N -1.60 1.82 0.02 0.56 5.04 -1.24 -4.97 117.35 116.98 2aas s TYR 115 Ca 0.66 0.29 0.05 0.00 -2.44 0.00 0.00 57.07 55.62 2aas s TYR 115 Cb -0.28 -4.00 -0.02 0.00 0.35 0.00 0.00 41.96 38.02 2aas s TYR 115 CO 0.33 -3.75 -0.14 0.14 -1.34 0.00 0.00 175.55 170.79 2aas s VAL 116 N 5.18 1.08 0.09 3.14 -7.23 0.25 -4.84 120.40 118.08 2aas s VAL 116 Ca 0.78 -0.87 -0.31 0.00 -1.81 0.00 0.00 61.98 59.78 2aas s VAL 116 Cb -0.31 -0.96 -0.10 0.00 0.56 0.00 0.00 36.38 35.57 2aas s VAL 116 CO 0.32 0.09 1.88 -2.16 -0.31 0.00 0.00 175.10 174.92 2aas s PRO 117 N -0.90 4.14 -0.14 4.82 0.04 -1.26 -0.96 135.00 140.74 2aas s PRO 117 Ca 0.02 2.61 0.10 0.00 0.04 0.00 0.00 61.00 63.77 2aas s PRO 117 Cb -0.07 -3.81 -0.15 0.00 0.04 0.00 0.00 34.50 30.50 2aas s PRO 117 CO 0.01 -0.89 0.01 1.33 0.04 0.00 0.00 177.00 177.50 2aas n VAL 118 N 5.05 0.93 -3.91 -0.36 0.24 0.66 -4.36 118.33 116.58 2aas n VAL 118 Ca 0.19 -0.53 -0.11 0.00 -2.04 0.00 0.00 64.34 61.85 2aas n VAL 118 Cb 0.39 -0.74 -0.13 0.00 -1.47 0.00 0.00 33.84 31.90 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 -2.33 0.09 -0.12 6.34 3.76 -1.07 -3.49 115.29 118.48 2aas s HIS 119 Ca -0.10 -0.19 -0.05 0.00 -0.15 0.00 0.00 55.06 54.57 2aas s HIS 119 Cb 0.04 -0.07 -0.04 0.00 1.11 0.00 0.00 32.58 33.63 2aas s HIS 119 CO 0.52 -0.08 0.07 0.12 -0.85 0.00 0.00 174.74 174.52 2aas s PHE 120 N -0.59 3.35 0.00 1.40 2.19 -1.26 -0.39 117.98 122.69 2aas s PHE 120 Ca -0.06 0.30 0.00 0.00 0.33 0.00 0.00 56.93 57.49 2aas s PHE 120 Cb -0.04 -1.92 0.00 0.00 -1.31 0.00 0.00 43.02 39.75 2aas s PHE 120 CO -0.00 0.50 0.00 -0.25 1.83 0.00 0.00 175.22 177.29 2aas n ASP 121 N 2.43 0.00 -4.08 6.13 9.92 -0.73 -4.97 116.55 125.25 2aas n ASP 121 Ca -0.19 0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 53.86 2aas n ASP 121 Cb 0.54 -0.03 -0.15 0.00 -0.64 0.00 0.00 41.12 40.84 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 -2.36 1.02 -0.34 2.24 0.00 -1.22 -4.92 121.76 116.18 2aas s ALA 122 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 51.96 51.39 2aas s ALA 122 Cb 0.00 -0.26 0.06 0.00 0.00 0.00 0.00 23.12 22.92 2aas s ALA 122 CO 0.00 0.25 0.09 -1.54 0.00 0.00 0.00 175.76 174.56 2aas s SER 123 N -0.28 5.16 0.00 0.00 1.04 -1.26 -0.45 113.70 117.91 2aas s SER 123 Ca 0.05 -1.36 0.26 0.00 0.48 0.00 0.00 55.95 55.37 2aas s SER 123 Cb -0.05 -1.81 0.53 0.00 0.10 0.00 0.00 66.02 64.79 2aas s SER 123 CO -0.00 -0.35 1.45 1.33 0.98 0.00 0.00 173.24 176.65