#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d6o s GLU 2 N 0.00 4.09 0.83 -1.58 2.12 -1.26 -5.04 118.70 117.86 3d6o s GLU 2 Ca 0.00 1.09 -0.11 0.00 0.36 0.00 0.00 54.97 56.31 3d6o s GLU 2 Cb 0.00 -3.72 0.09 0.00 0.26 0.00 0.00 34.13 30.76 3d6o s GLU 2 CO 0.00 -0.84 1.09 0.95 -0.54 0.00 0.00 175.26 175.92 3d6o s THR 3 N 3.54 3.00 0.25 -1.70 -4.23 -1.26 -4.84 115.64 110.39 3d6o s THR 3 Ca 0.44 0.32 -0.06 0.00 -1.18 0.00 0.00 61.69 61.22 3d6o s THR 3 Cb -0.13 -2.87 0.24 0.00 1.34 0.00 0.00 72.50 71.09 3d6o s THR 3 CO 0.14 -0.42 1.91 0.00 -0.54 0.00 0.00 174.62 175.70 3d6o h ALA 4 N -1.30 1.24 -0.41 3.99 0.00 -1.96 -0.35 119.26 120.46 3d6o h ALA 4 Ca -0.47 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3d6o h ALA 4 Cb 1.26 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3d6o h ALA 4 CO 0.55 0.54 0.23 0.00 0.00 0.00 0.00 179.25 180.56 3d6o h ALA 5 N 1.37 0.52 -0.84 0.00 0.00 -1.90 -1.47 119.26 116.95 3d6o h ALA 5 Ca 0.37 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 3d6o h ALA 5 Cb -0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3d6o h ALA 5 CO -0.10 0.04 0.42 0.00 0.00 0.00 0.00 179.25 179.61 3d6o h ALA 6 N 1.09 1.17 -0.54 0.00 0.00 -1.82 -2.15 119.26 117.00 3d6o h ALA 6 Ca 0.14 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3d6o h ALA 6 Cb 0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3d6o h ALA 6 CO -0.02 0.64 0.17 -0.22 0.00 0.00 0.00 179.25 179.82 3d6o h LYS 7 N 1.18 0.84 -0.42 0.00 3.64 -0.79 -0.79 116.57 120.22 3d6o h LYS 7 Ca 0.29 -0.18 0.05 0.00 -1.27 0.00 0.00 60.65 59.54 3d6o h LYS 7 Cb 0.08 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 3d6o h LYS 7 CO -0.04 0.77 0.17 0.35 -2.27 0.00 0.00 179.45 178.43 3d6o h PHE 8 N 0.75 0.32 -0.85 1.91 3.04 -1.08 0.19 116.94 121.22 3d6o h PHE 8 Ca 0.17 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.16 3d6o h PHE 8 Cb 0.28 -0.08 -0.04 0.00 2.56 0.00 0.00 35.95 38.66 3d6o h PHE 8 CO 0.02 0.14 0.56 0.93 -2.02 0.00 0.00 178.31 177.93 3d6o h GLU 9 N 0.36 1.10 -0.43 1.11 5.08 -0.98 0.19 114.58 121.02 3d6o h GLU 9 Ca 0.19 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.35 3d6o h GLU 9 Cb 0.15 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3d6o h GLU 9 CO -0.17 0.73 -0.25 -0.09 -1.00 0.00 0.00 179.01 178.23 3d6o h ARG 10 N 1.13 0.92 0.08 2.33 2.43 -0.68 -2.32 114.38 118.28 3d6o h ARG 10 Ca 0.31 -0.42 -0.25 0.00 -0.81 0.00 0.00 59.98 58.81 3d6o h ARG 10 Cb -0.11 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 3d6o h ARG 10 CO -0.08 1.08 -1.17 1.96 -1.51 0.00 0.00 179.97 180.26 3d6o h GLN 11 N 0.75 0.17 0.00 0.20 4.20 -0.74 -3.42 115.11 116.28 3d6o h GLN 11 Ca 0.09 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.50 3d6o h GLN 11 Cb 0.83 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.72 3d6o h GLN 11 CO 0.07 1.14 0.00 0.72 -0.67 0.00 0.00 178.83 180.09 3d6o n HIS 12 N -3.46 0.00 -4.14 2.96 8.25 0.66 -4.67 115.22 114.80 3d6o n HIS 12 Ca -0.06 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.06 3d6o n HIS 12 Cb 1.00 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 32.00 3d6o n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3d6o s MET 13 N -0.40 3.82 -0.42 -0.41 -1.94 -0.87 -0.20 119.30 118.87 3d6o s MET 13 Ca 0.00 -0.43 0.06 0.00 -1.71 0.00 0.00 55.69 53.61 3d6o s MET 13 Cb 0.00 -3.10 0.20 0.00 2.01 0.00 0.00 34.83 33.94 3d6o s MET 13 CO 0.00 0.21 0.48 -3.47 -0.01 0.00 0.00 175.02 172.24 3d6o n ASP 14 N 3.67 -0.87 0.15 3.03 2.03 -0.15 -4.83 116.55 119.59 3d6o n ASP 14 Ca -0.17 -2.60 0.13 0.00 0.52 0.00 0.00 54.79 52.67 3d6o n ASP 14 Cb 0.52 -0.10 0.50 0.00 -0.72 0.00 0.00 41.12 41.32 3d6o n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3d6o h SER 15 N 4.96 0.00 0.02 1.67 0.02 -1.75 -3.29 113.55 115.19 3d6o h SER 15 Ca 0.15 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.04 3d6o h SER 15 Cb 0.94 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 3d6o h SER 15 CO 0.35 0.00 -0.19 0.28 -1.14 0.00 0.00 176.83 176.13 3d6o h SER 16 N 0.00 0.30 -3.50 3.07 0.02 -1.92 -3.42 113.55 108.10 3d6o h SER 16 Ca 0.00 -0.08 -0.67 0.00 -0.84 0.00 0.00 61.79 60.20 3d6o h SER 16 Cb 0.45 -0.08 -0.16 0.00 0.14 0.00 0.00 62.40 62.75 3d6o h SER 16 CO 0.00 0.51 -0.67 0.28 -1.14 0.00 0.00 176.83 175.81 3d6o s THR 17 N -4.60 3.89 0.10 -2.27 -1.32 -1.24 -5.04 115.64 105.16 3d6o s THR 17 Ca -0.06 -0.65 -0.13 0.00 -1.21 0.00 0.00 61.69 59.64 3d6o s THR 17 Cb 0.15 -2.70 -0.15 0.00 -1.51 0.00 0.00 72.50 68.29 3d6o s THR 17 CO 0.75 0.42 1.31 0.28 -2.21 0.00 0.00 174.62 175.17 3d6o h SER 18 N 4.55 0.91 0.00 8.08 0.02 -1.88 -3.43 113.55 121.80 3d6o h SER 18 Ca -0.49 -0.61 0.00 0.00 -0.84 0.00 0.00 61.79 59.85 3d6o h SER 18 Cb 1.17 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.45 3d6o h SER 18 CO 0.55 1.37 0.00 0.00 -1.14 0.00 0.00 176.83 177.61 3d6o n ALA 19 N -2.59 0.00 0.00 3.77 0.00 -1.26 -4.81 120.51 115.62 3d6o n ALA 19 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3d6o n ALA 19 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.15 3d6o n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d6o n ALA 20 N -0.78 0.00 -2.42 0.00 0.00 -1.26 -4.87 120.51 111.19 3d6o n ALA 20 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3d6o n ALA 20 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3d6o n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3d6o n SER 21 N 0.00 -6.19 -4.61 0.00 7.64 -1.26 -4.81 113.62 104.39 3d6o n SER 21 Ca 0.00 1.66 -0.29 0.00 1.01 0.00 0.00 58.87 61.26 3d6o n SER 21 Cb 0.00 -5.19 0.20 0.00 -1.01 0.00 0.00 64.21 58.21 3d6o n SER 21 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3d6o s SER 22 N -0.62 2.08 0.53 6.43 1.04 -1.26 -4.82 113.70 117.07 3d6o s SER 22 Ca -0.10 1.40 0.35 0.00 0.48 0.00 0.00 55.95 58.07 3d6o s SER 22 Cb 0.01 -2.10 1.89 0.00 0.10 0.00 0.00 66.02 65.92 3d6o s SER 22 CO 0.28 -3.50 2.08 0.77 0.98 0.00 0.00 173.24 173.85 3d6o h SER 23 N -2.14 0.00 1.11 7.02 4.64 -1.94 -0.05 113.55 122.19 3d6o h SER 23 Ca -0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 3d6o h SER 23 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3d6o h SER 23 CO 0.54 0.00 -0.33 0.59 -0.87 0.00 0.00 176.83 176.76 3d6o n ASN 24 N -2.76 0.71 0.06 4.97 3.02 -1.26 -4.61 115.26 115.39 3d6o n ASN 24 Ca -0.02 0.31 -0.14 0.00 -0.03 0.00 0.00 54.58 54.70 3d6o n ASN 24 Cb 0.08 -0.27 -0.07 0.00 -0.61 0.00 0.00 39.78 38.90 3d6o n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3d6o h TYR 25 N 0.00 -1.28 -0.69 3.10 3.20 -1.32 -1.22 116.97 118.76 3d6o h TYR 25 Ca 0.00 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 3d6o h TYR 25 Cb 0.72 0.56 -0.03 0.00 1.54 0.00 0.00 36.73 39.52 3d6o h TYR 25 CO 0.00 -0.52 0.25 0.00 -1.64 0.00 0.00 178.16 176.25 3d6o h ASN 27 N 1.00 0.16 -0.13 0.00 2.35 -1.70 0.11 115.58 117.37 3d6o h ASN 27 Ca 0.23 0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.98 3d6o h ASN 27 Cb 0.26 0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 3d6o h ASN 27 CO -0.01 0.10 -0.21 1.56 -1.65 0.00 0.00 177.43 177.22 3d6o h GLN 28 N 0.36 0.37 -0.06 0.81 4.20 -0.68 -3.27 115.11 116.85 3d6o h GLN 28 Ca 0.29 -0.23 -0.23 0.00 0.06 0.00 0.00 58.65 58.55 3d6o h GLN 28 Cb 0.37 0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.19 3d6o h GLN 28 CO -0.32 0.82 -0.89 0.52 -0.67 0.00 0.00 178.83 178.29 3d6o h MET 29 N -0.04 0.60 -0.53 1.46 2.86 -0.27 -0.99 114.93 118.01 3d6o h MET 29 Ca 0.01 -0.57 -0.05 0.00 -2.06 0.00 0.00 59.70 57.03 3d6o h MET 29 Cb 0.79 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 3d6o h MET 29 CO 0.05 1.19 0.14 0.52 1.06 0.00 0.00 176.91 179.86 3d6o h MET 30 N 0.37 0.81 0.03 1.72 2.86 -0.93 -1.50 114.93 118.29 3d6o h MET 30 Ca -0.08 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 3d6o h MET 30 Cb 1.52 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.05 3d6o h MET 30 CO 0.17 0.73 -0.01 -0.22 1.06 0.00 0.00 176.91 178.63 3d6o h LYS 31 N 0.79 -0.03 0.00 1.72 3.64 -1.58 -0.43 116.57 120.67 3d6o h LYS 31 Ca 0.17 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 3d6o h LYS 31 Cb 0.28 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3d6o h LYS 31 CO -0.00 0.53 -0.23 0.66 -2.27 0.00 0.00 179.45 178.14 3d6o h SER 32 N -0.62 0.00 -0.45 4.20 4.64 -1.08 -1.39 113.55 118.85 3d6o h SER 32 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d6o h SER 32 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3d6o h SER 32 CO 0.01 0.23 0.00 0.54 -0.87 0.00 0.00 176.83 176.73 3d6o n ARG 33 N -3.98 2.16 -2.99 4.77 5.12 -0.57 -4.94 116.66 116.23 3d6o n ARG 33 Ca -0.02 -1.66 -0.19 0.00 -1.93 0.00 0.00 57.85 54.05 3d6o n ARG 33 Cb 0.30 -1.40 0.04 0.00 -1.16 0.00 0.00 32.46 30.24 3d6o n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3d6o n ASN 34 N 0.79 -5.46 -1.25 0.55 3.02 -0.52 -4.81 115.26 107.58 3d6o n ASN 34 Ca 0.15 -0.28 0.12 0.00 -0.03 0.00 0.00 54.58 54.54 3d6o n ASN 34 Cb 0.42 -4.25 0.27 0.00 -0.61 0.00 0.00 39.78 35.61 3d6o n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3d6o n LEU 35 N -3.58 3.68 -0.18 3.41 4.77 -0.18 -4.00 117.00 120.92 3d6o n LEU 35 Ca -0.08 -1.72 0.07 0.00 -0.03 0.00 0.00 56.01 54.26 3d6o n LEU 35 Cb 0.59 -0.37 0.10 0.00 -2.33 0.00 0.00 43.42 41.41 3d6o n LEU 35 CO 0.42 0.86 0.48 0.35 -1.33 0.00 0.00 177.39 178.17 3d6o n THR 36 N 1.56 1.33 0.02 -5.08 -2.24 -1.19 -2.27 114.28 106.42 3d6o n THR 36 Ca 0.22 -1.59 -0.10 0.00 -2.27 0.00 0.00 64.05 60.30 3d6o n THR 36 Cb 0.61 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.76 3d6o n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3d6o h LYS 37 N 0.00 -0.15 0.00 -0.78 3.64 -1.90 -3.38 116.57 114.00 3d6o h LYS 37 Ca 0.00 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 3d6o h LYS 37 Cb 1.08 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 3d6o h LYS 37 CO 0.00 0.32 -1.58 -0.25 -2.27 0.00 0.00 179.45 175.67 3d6o n ASP 38 N -4.86 0.55 -3.68 4.20 8.00 -1.26 -5.01 116.55 114.49 3d6o n ASP 38 Ca -0.07 0.23 -0.01 0.00 0.71 0.00 0.00 54.79 55.65 3d6o n ASP 38 Cb 0.27 0.76 -0.01 0.00 -0.02 0.00 0.00 41.12 42.12 3d6o n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d6o s ARG 39 N -3.11 0.83 -0.50 -1.24 1.70 -1.26 -5.10 118.95 110.27 3d6o s ARG 39 Ca -0.04 -0.46 -0.29 0.00 -0.47 0.00 0.00 55.73 54.46 3d6o s ARG 39 Cb 0.10 0.28 0.03 0.00 -0.57 0.00 0.00 34.95 34.79 3d6o s ARG 39 CO 0.83 -0.38 1.15 0.00 -1.08 0.00 0.00 175.30 175.82 3d6o n LYS 41 N 7.95 2.78 -0.12 0.00 4.81 -0.96 -4.89 118.16 127.73 3d6o n LYS 41 Ca 0.11 1.02 -0.10 0.00 -0.87 0.00 0.00 58.31 58.47 3d6o n LYS 41 Cb 0.49 -2.93 -0.02 0.00 0.02 0.00 0.00 35.03 32.59 3d6o n LYS 41 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3d6o h PRO 42 N 9.25 0.59 -3.72 1.64 0.11 -1.94 -3.43 132.00 134.51 3d6o h PRO 42 Ca -0.48 -0.16 -0.31 0.00 0.11 0.00 0.00 66.00 65.16 3d6o h PRO 42 Cb 1.23 -0.07 -0.32 0.00 0.11 0.00 0.00 31.00 31.95 3d6o h PRO 42 CO 0.94 0.66 -0.74 0.08 -0.21 0.00 0.00 178.00 178.74 3d6o s VAL 43 N -5.19 0.10 -0.19 3.15 1.01 -1.26 -1.27 120.40 116.75 3d6o s VAL 43 Ca -0.13 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 3d6o s VAL 43 Cb 0.09 -0.18 0.06 0.00 0.00 0.00 0.00 36.38 36.35 3d6o s VAL 43 CO 0.77 0.10 0.49 0.21 0.00 0.00 0.00 175.10 176.67 3d6o s ASN 44 N 0.75 -0.58 -0.12 3.32 2.47 -0.53 -5.01 114.94 115.24 3d6o s ASN 44 Ca -0.07 1.04 -0.01 0.00 0.42 0.00 0.00 52.86 54.23 3d6o s ASN 44 Cb -0.10 0.98 -0.03 0.00 -1.45 0.00 0.00 41.25 40.65 3d6o s ASN 44 CO -0.02 -0.19 -0.06 -0.89 -3.72 0.00 0.00 177.10 172.22 3d6o s THR 45 N 0.89 3.70 -0.11 -5.21 2.01 -1.26 -0.57 115.64 115.08 3d6o s THR 45 Ca -0.05 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 61.48 3d6o s THR 45 Cb -0.06 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 3d6o s THR 45 CO -0.07 0.54 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.01 3d6o s PHE 46 N -0.12 3.07 -0.20 4.92 0.08 0.03 -4.34 117.98 121.42 3d6o s PHE 46 Ca 0.01 -0.00 -0.06 0.00 0.12 0.00 0.00 56.93 57.00 3d6o s PHE 46 Cb -0.13 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.46 3d6o s PHE 46 CO 0.03 0.27 0.03 0.08 -0.10 0.00 0.00 175.22 175.52 3d6o s VAL 47 N -0.43 4.23 -0.98 -0.44 1.01 0.72 -0.33 120.40 124.17 3d6o s VAL 47 Ca 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 3d6o s VAL 47 Cb -0.12 -2.92 0.32 0.00 0.00 0.00 0.00 36.38 33.66 3d6o s VAL 47 CO 0.02 0.43 1.64 1.41 0.00 0.00 0.00 175.10 178.60 3d6o n HIS 48 N 4.11 2.81 -4.27 5.22 -0.00 0.61 -0.97 115.22 122.72 3d6o n HIS 48 Ca -0.17 -2.75 -0.15 0.00 -0.00 0.00 0.00 57.72 54.66 3d6o n HIS 48 Cb 0.52 -1.12 -0.10 0.00 -0.00 0.00 0.00 29.99 29.29 3d6o n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3d6o s GLU 49 N -3.88 1.28 0.64 -0.41 0.41 -1.26 -4.48 118.70 110.99 3d6o s GLU 49 Ca 0.38 -1.67 -0.17 0.00 -0.41 0.00 0.00 54.97 53.10 3d6o s GLU 49 Cb 0.17 -0.13 -0.01 0.00 -1.78 0.00 0.00 34.13 32.38 3d6o s GLU 49 CO -0.08 -0.28 1.19 -1.54 -0.49 0.00 0.00 175.26 174.06 3d6o s SER 50 N -3.24 4.91 0.25 -0.19 1.04 -1.26 -4.29 113.70 110.93 3d6o s SER 50 Ca 0.34 2.31 -0.04 0.00 0.48 0.00 0.00 55.95 59.05 3d6o s SER 50 Cb 0.07 -2.59 0.40 0.00 0.10 0.00 0.00 66.02 64.01 3d6o s SER 50 CO 0.11 -1.77 1.83 0.25 0.98 0.00 0.00 173.24 174.63 3d6o h LEU 51 N 0.42 0.79 -0.62 2.42 5.85 -1.99 -2.02 115.31 120.17 3d6o h LEU 51 Ca -0.49 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.29 3d6o h LEU 51 Cb 1.29 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 3d6o h LEU 51 CO 0.53 0.47 0.38 0.00 -0.34 0.00 0.00 178.44 179.49 3d6o h ALA 52 N 1.45 0.80 -0.59 1.25 0.00 -1.99 0.50 119.26 120.69 3d6o h ALA 52 Ca 0.41 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 3d6o h ALA 52 Cb 0.31 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3d6o h ALA 52 CO -0.22 0.13 0.12 -0.44 0.00 0.00 0.00 179.25 178.84 3d6o h ASP 53 N 0.75 0.87 -0.11 0.00 3.32 -1.77 -0.69 116.42 118.79 3d6o h ASP 53 Ca 0.25 -0.18 -0.18 0.00 0.02 0.00 0.00 57.03 56.94 3d6o h ASP 53 Cb 0.02 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.35 3d6o h ASP 53 CO -0.10 0.86 -0.63 0.58 -1.72 0.00 0.00 179.24 178.23 3d6o h VAL 54 N 0.88 1.33 -0.64 -1.35 2.07 -1.03 -3.07 116.25 114.45 3d6o h VAL 54 Ca 0.19 -1.91 0.02 0.00 0.82 0.00 0.00 66.70 65.82 3d6o h VAL 54 Cb 0.35 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 3d6o h VAL 54 CO 0.00 0.59 0.42 1.56 0.02 0.00 0.00 177.57 180.16 3d6o h GLN 55 N 0.28 0.77 -0.01 1.57 4.20 -0.75 -1.54 115.11 119.63 3d6o h GLN 55 Ca -0.05 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3d6o h GLN 55 Cb 1.28 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.88 3d6o h GLN 55 CO 0.13 0.51 0.01 0.00 -0.67 0.00 0.00 178.83 178.81 3d6o h ALA 56 N 1.62 1.60 -0.13 3.87 0.00 -1.02 -2.31 119.26 122.89 3d6o h ALA 56 Ca 0.25 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.19 3d6o h ALA 56 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3d6o h ALA 56 CO -0.06 -0.02 0.11 0.28 0.00 0.00 0.00 179.25 179.56 3d6o h VAL 57 N 0.00 0.72 0.00 0.00 2.07 -1.28 -1.38 116.25 116.38 3d6o h VAL 57 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3d6o h VAL 57 Cb 0.03 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3d6o h VAL 57 CO -0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3d6o n SER 59 N -1.86 3.06 0.00 0.00 3.41 -0.52 -5.00 113.62 112.72 3d6o n SER 59 Ca 0.01 -1.96 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 3d6o n SER 59 Cb 0.09 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 3d6o n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d6o n GLN 60 N 0.78 2.05 -2.69 4.33 6.02 -0.02 -4.98 117.38 122.87 3d6o n GLN 60 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 3d6o n GLN 60 Cb 0.46 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.69 3d6o n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3d6o s LYS 61 N 4.18 3.91 0.00 -1.09 2.20 -1.02 -4.86 119.74 123.06 3d6o s LYS 61 Ca 0.00 0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 56.10 3d6o s LYS 61 Cb 0.00 -3.80 -0.06 0.00 -1.51 0.00 0.00 37.83 32.47 3d6o s LYS 61 CO 0.00 -1.02 1.44 1.21 -0.36 0.00 0.00 175.35 176.62 3d6o s ASN 62 N 1.91 6.81 0.09 1.43 3.04 -1.26 -0.20 114.94 126.76 3d6o s ASN 62 Ca 0.43 2.15 0.02 0.00 0.04 0.00 0.00 52.86 55.51 3d6o s ASN 62 Cb -0.11 -2.56 -0.04 0.00 -1.54 0.00 0.00 41.25 37.00 3d6o s ASN 62 CO 0.20 -0.75 -0.07 0.68 -3.04 0.00 0.00 177.10 174.12 3d6o s VAL 63 N 2.55 0.70 0.23 -5.21 -7.23 0.06 -4.92 120.40 106.59 3d6o s VAL 63 Ca 0.65 -1.84 -0.30 0.00 -1.81 0.00 0.00 61.98 58.68 3d6o s VAL 63 Cb -0.32 -1.57 -0.10 0.00 0.56 0.00 0.00 36.38 34.95 3d6o s VAL 63 CO 0.27 -0.81 1.40 0.00 -0.31 0.00 0.00 175.10 175.65 3d6o s ALA 64 N -3.35 3.59 0.61 1.32 0.00 -1.26 -3.17 121.76 119.51 3d6o s ALA 64 Ca 0.10 1.25 -0.15 0.00 0.00 0.00 0.00 51.96 53.16 3d6o s ALA 64 Cb 0.03 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 3d6o s ALA 64 CO -0.04 -0.67 1.06 0.00 0.00 0.00 0.00 175.76 176.11 3d6o h LYS 66 N 0.28 0.35 -0.01 0.00 1.57 -1.92 0.33 116.57 117.17 3d6o h LYS 66 Ca -0.47 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3d6o h LYS 66 Cb 1.22 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3d6o h LYS 66 CO 0.57 0.23 0.00 0.27 -0.57 0.00 0.00 179.45 179.95 3d6o n ASN 67 N -4.47 0.42 0.00 0.86 0.23 -1.26 -4.90 115.26 106.14 3d6o n ASN 67 Ca 0.16 -1.22 0.00 0.00 -0.53 0.00 0.00 54.58 52.99 3d6o n ASN 67 Cb 0.62 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.31 3d6o n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3d6o n GLY 68 N 1.01 1.10 3.74 4.83 0.00 0.11 -5.06 105.19 110.92 3d6o n GLY 68 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 3d6o n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d6o s GLN 69 N -0.62 1.78 0.00 1.61 -0.21 -1.26 -4.76 119.66 116.20 3d6o s GLN 69 Ca 0.00 1.11 0.15 0.00 0.02 0.00 0.00 55.36 56.64 3d6o s GLN 69 Cb 0.00 -1.85 0.42 0.00 1.00 0.00 0.00 33.01 32.58 3d6o s GLN 69 CO 0.00 -1.96 1.34 0.25 -2.12 0.00 0.00 175.29 172.80 3d6o n THR 70 N -3.73 0.97 -1.29 -0.19 -2.24 -1.26 -0.97 114.28 105.57 3d6o n THR 70 Ca 0.09 -0.99 -0.26 0.00 -2.27 0.00 0.00 64.05 60.62 3d6o n THR 70 Cb 0.53 0.52 0.15 0.00 -2.10 0.00 0.00 70.33 69.44 3d6o n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3d6o n ASN 71 N 0.91 4.76 -4.87 3.42 6.94 -1.26 -4.74 115.26 120.42 3d6o n ASN 71 Ca 0.16 -3.68 -0.27 0.00 -0.02 0.00 0.00 54.58 50.77 3d6o n ASN 71 Cb 0.49 -0.85 -0.04 0.00 -2.36 0.00 0.00 39.78 37.01 3d6o n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3d6o s TYR 73 N -1.68 -0.05 -0.15 0.00 1.51 0.32 -0.76 117.35 116.55 3d6o s TYR 73 Ca 0.33 0.22 -0.06 0.00 -1.01 0.00 0.00 57.07 56.54 3d6o s TYR 73 Cb -0.11 -0.09 -0.04 0.00 -0.11 0.00 0.00 41.96 41.61 3d6o s TYR 73 CO 0.26 -0.08 0.06 -1.14 -1.11 0.00 0.00 175.55 173.53 3d6o s GLN 74 N 0.66 3.67 0.32 -0.62 0.74 0.72 -1.35 119.66 123.80 3d6o s GLN 74 Ca -0.05 -0.33 -0.29 0.00 0.05 0.00 0.00 55.36 54.74 3d6o s GLN 74 Cb -0.07 -3.11 -0.10 0.00 1.10 0.00 0.00 33.01 30.83 3d6o s GLN 74 CO -0.02 0.44 1.36 -1.54 -0.55 0.00 0.00 175.29 174.98 3d6o s SER 75 N -0.11 6.69 0.25 6.67 1.04 -0.25 -2.43 113.70 125.56 3d6o s SER 75 Ca 0.07 2.73 0.03 0.00 0.48 0.00 0.00 55.95 59.25 3d6o s SER 75 Cb -0.12 -2.65 0.32 0.00 0.10 0.00 0.00 66.02 63.67 3d6o s SER 75 CO 0.01 -0.62 1.63 1.88 0.98 0.00 0.00 173.24 177.12 3d6o h TYR 76 N 3.73 0.43 -2.56 5.02 0.05 -1.96 -3.43 116.97 118.26 3d6o h TYR 76 Ca -0.48 -0.13 -0.55 0.00 0.05 0.00 0.00 58.73 57.62 3d6o h TYR 76 Cb 1.23 -0.09 -0.05 0.00 1.01 0.00 0.00 36.73 38.83 3d6o h TYR 76 CO 0.57 0.76 -0.52 -1.12 -1.05 0.00 0.00 178.16 176.79 3d6o s SER 77 N -6.88 5.83 0.62 3.88 0.01 -1.26 -5.07 113.70 110.84 3d6o s SER 77 Ca -0.05 -0.04 -0.17 0.00 1.31 0.00 0.00 55.95 57.00 3d6o s SER 77 Cb 0.13 -1.61 -0.02 0.00 0.21 0.00 0.00 66.02 64.72 3d6o s SER 77 CO 0.80 0.04 1.13 0.42 0.41 0.00 0.00 173.24 176.04 3d6o s THR 78 N -1.81 3.11 0.11 1.44 -4.23 -1.26 -4.54 115.64 108.47 3d6o s THR 78 Ca 0.32 0.59 0.07 0.00 -1.18 0.00 0.00 61.69 61.50 3d6o s THR 78 Cb -0.10 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.56 3d6o s THR 78 CO 0.26 -0.25 -0.17 -0.04 -0.54 0.00 0.00 174.62 173.88 3d6o s MET 79 N -3.74 1.04 -0.07 3.99 -1.94 0.99 -4.85 119.30 114.72 3d6o s MET 79 Ca 0.70 -1.17 -0.30 0.00 -1.71 0.00 0.00 55.69 53.22 3d6o s MET 79 Cb -0.23 -1.11 -0.03 0.00 2.01 0.00 0.00 34.83 35.48 3d6o s MET 79 CO 0.36 0.24 1.15 0.45 -0.01 0.00 0.00 175.02 177.21 3d6o s SER 80 N -2.13 7.09 0.09 3.03 0.15 -1.26 -1.75 113.70 118.92 3d6o s SER 80 Ca 0.06 1.74 0.01 0.00 0.70 0.00 0.00 55.95 58.46 3d6o s SER 80 Cb -0.08 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 3d6o s SER 80 CO 0.04 -0.56 -0.05 0.27 1.20 0.00 0.00 173.24 174.14 3d6o s ILE 81 N 2.21 0.54 -0.12 6.45 -4.36 -0.38 -0.29 121.20 125.26 3d6o s ILE 81 Ca 0.54 -1.90 0.01 0.00 -0.26 0.00 0.00 60.65 59.04 3d6o s ILE 81 Cb -0.23 -1.65 0.02 0.00 1.25 0.00 0.00 42.46 41.85 3d6o s ILE 81 CO 0.21 -0.89 -0.13 -0.89 0.24 0.00 0.00 174.94 173.47 3d6o s THR 82 N -3.72 1.41 -0.02 8.37 2.01 0.55 -1.38 115.64 122.85 3d6o s THR 82 Ca 0.11 -0.55 -0.19 0.00 0.31 0.00 0.00 61.69 61.37 3d6o s THR 82 Cb 0.06 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.19 3d6o s THR 82 CO -0.06 0.43 0.53 -1.81 -0.69 0.00 0.00 174.62 173.02 3d6o s ASP 83 N 1.31 6.90 -0.19 3.53 1.01 0.47 -0.79 116.67 128.91 3d6o s ASP 83 Ca -0.00 1.07 -0.02 0.00 0.71 0.00 0.00 52.55 54.31 3d6o s ASP 83 Cb -0.14 -2.33 -0.00 0.00 1.01 0.00 0.00 42.92 41.47 3d6o s ASP 83 CO -0.06 0.15 -0.11 0.00 0.21 0.00 0.00 175.17 175.35 3d6o s ARG 85 N 1.20 1.62 0.18 0.00 3.52 -1.00 -1.46 118.95 123.01 3d6o s ARG 85 Ca 0.02 -0.32 -0.32 0.00 -0.13 0.00 0.00 55.73 54.99 3d6o s ARG 85 Cb -0.14 -1.57 -0.11 0.00 -1.56 0.00 0.00 34.95 31.57 3d6o s ARG 85 CO -0.04 -0.19 1.73 -2.00 -0.81 0.00 0.00 175.30 173.99 3d6o s GLU 86 N 1.41 4.14 0.82 5.12 2.12 -0.39 -0.90 118.70 131.02 3d6o s GLU 86 Ca -0.00 2.56 -0.10 0.00 0.36 0.00 0.00 54.97 57.79 3d6o s GLU 86 Cb -0.13 -3.24 0.08 0.00 0.26 0.00 0.00 34.13 31.10 3d6o s GLU 86 CO -0.05 -0.76 1.10 0.95 -0.54 0.00 0.00 175.26 175.96 3d6o s THR 87 N 1.64 2.99 0.27 -1.70 -4.23 -0.32 -4.88 115.64 109.42 3d6o s THR 87 Ca 0.76 0.32 0.29 0.00 -1.18 0.00 0.00 61.69 61.88 3d6o s THR 87 Cb -0.48 -2.70 0.30 0.00 1.34 0.00 0.00 72.50 70.96 3d6o s THR 87 CO 0.33 -0.42 1.99 1.23 -0.54 0.00 0.00 174.62 177.21 3d6o h GLY 88 N -1.34 0.00 -0.87 3.99 0.00 -1.93 -2.94 103.07 99.97 3d6o h GLY 88 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3d6o h GLY 88 CO 0.49 0.00 -0.38 -1.14 0.00 0.00 0.00 176.54 175.52 3d6o n SER 89 N -3.40 1.95 -4.71 0.19 3.41 -1.26 -4.94 113.62 104.86 3d6o n SER 89 Ca -0.01 -1.46 -0.42 0.00 -0.26 0.00 0.00 58.87 56.72 3d6o n SER 89 Cb 0.31 0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 64.59 3d6o n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3d6o s SER 90 N -2.42 6.49 -0.11 4.04 0.15 -1.11 -4.99 113.70 115.74 3d6o s SER 90 Ca 0.21 2.70 -0.01 0.00 0.70 0.00 0.00 55.95 59.55 3d6o s SER 90 Cb 0.19 -2.58 0.04 0.00 -1.71 0.00 0.00 66.02 61.95 3d6o s SER 90 CO 0.53 -0.93 -0.01 -0.54 1.20 0.00 0.00 173.24 173.50 3d6o s LYS 91 N 1.85 0.82 0.28 5.44 -0.14 -1.22 -4.89 119.74 121.87 3d6o s LYS 91 Ca 0.75 -0.12 -0.29 0.00 -1.36 0.00 0.00 55.97 54.95 3d6o s LYS 91 Cb -0.45 -1.42 -0.14 0.00 -1.68 0.00 0.00 37.83 34.14 3d6o s LYS 91 CO 0.33 -0.39 1.16 0.98 -0.76 0.00 0.00 175.35 176.67 3d6o n TYR 92 N 5.07 1.68 1.64 3.18 9.36 -1.26 -0.44 117.16 136.39 3d6o n TYR 92 Ca -0.09 0.62 0.11 0.00 3.32 0.00 0.00 57.90 61.87 3d6o n TYR 92 Cb 0.49 -2.33 0.53 0.00 -0.63 0.00 0.00 39.34 37.40 3d6o n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3d6o n PRO 93 N 0.97 1.36 -2.49 2.98 -0.04 -1.26 -4.96 135.00 131.56 3d6o n PRO 93 Ca 0.09 -0.54 -0.42 0.00 -0.04 0.00 0.00 63.50 62.59 3d6o n PRO 93 Cb 0.32 -1.38 0.01 0.00 -0.04 0.00 0.00 33.50 32.41 3d6o n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3d6o n ASN 94 N -0.27 5.99 -4.72 3.54 5.03 0.41 -5.00 115.26 120.25 3d6o n ASN 94 Ca 0.17 -3.24 -0.42 0.00 0.87 0.00 0.00 54.58 51.96 3d6o n ASN 94 Cb 0.21 -1.39 -0.03 0.00 -1.02 0.00 0.00 39.78 37.55 3d6o n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3d6o s ALA 96 N 1.01 2.03 0.03 0.00 0.00 -1.26 -4.91 121.76 118.65 3d6o s ALA 96 Ca 0.64 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.59 3d6o s ALA 96 Cb -0.37 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 3d6o s ALA 96 CO 0.31 0.47 -0.09 0.71 0.00 0.00 0.00 175.76 177.16 3d6o s TYR 97 N -0.45 0.76 -0.08 0.00 1.51 -1.26 -1.17 117.35 116.65 3d6o s TYR 97 Ca 0.06 -0.34 -0.22 0.00 -1.01 0.00 0.00 57.07 55.56 3d6o s TYR 97 Cb -0.10 -0.46 -0.04 0.00 -0.11 0.00 0.00 41.96 41.25 3d6o s TYR 97 CO 0.00 -0.03 0.64 0.21 -1.11 0.00 0.00 175.55 175.26 3d6o s LYS 98 N -1.05 4.41 -0.35 -0.62 2.20 -0.07 -4.61 119.74 119.65 3d6o s LYS 98 Ca -0.04 0.76 -0.13 0.00 -0.36 0.00 0.00 55.97 56.20 3d6o s LYS 98 Cb -0.07 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.79 3d6o s LYS 98 CO 0.00 0.08 0.26 0.99 -0.36 0.00 0.00 175.35 176.33 3d6o s THR 99 N 0.77 5.27 -0.13 3.43 2.01 -1.26 -2.38 115.64 123.36 3d6o s THR 99 Ca 0.34 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.11 3d6o s THR 99 Cb -0.17 -3.75 0.02 0.00 0.01 0.00 0.00 72.50 68.62 3d6o s THR 99 CO 0.16 -0.05 -0.11 0.42 -0.69 0.00 0.00 174.62 174.35 3d6o s THR 100 N 1.74 1.32 0.24 -0.82 -4.23 -0.74 -4.94 115.64 108.21 3d6o s THR 100 Ca 0.06 -0.48 -0.24 0.00 -1.18 0.00 0.00 61.69 59.86 3d6o s THR 100 Cb -0.17 -1.27 -0.09 0.00 1.34 0.00 0.00 72.50 72.31 3d6o s THR 100 CO 0.11 0.41 0.82 -1.58 -0.54 0.00 0.00 174.62 173.84 3d6o s GLN 101 N 1.50 4.46 0.16 3.99 2.00 -1.26 -0.40 119.66 130.12 3d6o s GLN 101 Ca 0.03 1.11 -0.12 0.00 -2.00 0.00 0.00 55.36 54.39 3d6o s GLN 101 Cb -0.13 -2.97 0.01 0.00 0.80 0.00 0.00 33.01 30.71 3d6o s GLN 101 CO -0.08 0.41 0.34 0.00 -0.50 0.00 0.00 175.29 175.46 3d6o s ALA 102 N -1.44 -0.35 -0.26 1.58 0.00 -0.48 -4.96 121.76 115.85 3d6o s ALA 102 Ca 0.43 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.81 3d6o s ALA 102 Cb -0.19 0.79 0.06 0.00 0.00 0.00 0.00 23.12 23.78 3d6o s ALA 102 CO 0.24 -0.67 -0.07 -0.80 0.00 0.00 0.00 175.76 174.47 3d6o s ASN 103 N -2.91 4.20 0.12 0.00 0.01 -1.26 -1.25 114.94 113.85 3d6o s ASN 103 Ca 0.12 -1.37 -0.08 0.00 -0.71 0.00 0.00 52.86 50.82 3d6o s ASN 103 Cb 0.02 -1.37 -0.01 0.00 0.41 0.00 0.00 41.25 40.30 3d6o s ASN 103 CO -0.03 -0.23 0.22 -0.54 -1.51 0.00 0.00 177.10 175.00 3d6o s LYS 104 N 1.23 0.98 0.09 -0.60 1.02 -0.72 -4.81 119.74 116.93 3d6o s LYS 104 Ca -0.05 -1.08 -0.30 0.00 0.02 0.00 0.00 55.97 54.55 3d6o s LYS 104 Cb -0.19 0.35 -0.06 0.00 -0.52 0.00 0.00 37.83 37.41 3d6o s LYS 104 CO -0.06 -0.33 1.07 -1.01 -0.92 0.00 0.00 175.35 174.10 3d6o s HIS 105 N -3.92 3.61 0.18 3.18 3.76 -0.53 -0.01 115.29 121.57 3d6o s HIS 105 Ca 0.11 1.58 -0.03 0.00 -0.15 0.00 0.00 55.06 56.57 3d6o s HIS 105 Cb 0.04 -3.24 -0.05 0.00 1.11 0.00 0.00 32.58 30.45 3d6o s HIS 105 CO -0.05 -0.49 0.41 0.96 -0.85 0.00 0.00 174.74 174.71 3d6o s ILE 106 N 0.47 5.16 -0.15 0.60 -4.36 -1.26 -0.63 121.20 121.03 3d6o s ILE 106 Ca 0.52 -0.09 0.01 0.00 -0.26 0.00 0.00 60.65 60.83 3d6o s ILE 106 Cb -0.26 -3.67 0.02 0.00 1.25 0.00 0.00 42.46 39.79 3d6o s ILE 106 CO 0.31 -0.08 -0.17 -0.63 0.24 0.00 0.00 174.94 174.61 3d6o s ILE 107 N -1.79 1.75 0.14 8.37 1.01 0.71 -1.09 121.20 130.30 3d6o s ILE 107 Ca 0.41 -0.75 0.08 0.00 0.00 0.00 0.00 60.65 60.39 3d6o s ILE 107 Cb -0.12 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 3d6o s ILE 107 CO 0.27 0.49 -0.19 0.68 0.00 0.00 0.00 174.94 176.18 3d6o s VAL 108 N 1.29 1.79 -0.06 2.92 -7.23 -0.46 -0.25 120.40 118.39 3d6o s VAL 108 Ca 0.02 -1.80 -0.13 0.00 -1.81 0.00 0.00 61.98 58.26 3d6o s VAL 108 Cb -0.13 -1.75 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 3d6o s VAL 108 CO -0.09 -0.23 0.34 0.00 -0.31 0.00 0.00 175.10 174.81 3d6o s ALA 109 N -1.76 3.69 0.04 1.32 0.00 0.01 -0.52 121.76 124.54 3d6o s ALA 109 Ca 0.13 -0.34 0.09 0.00 0.00 0.00 0.00 51.96 51.84 3d6o s ALA 109 Cb -0.07 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 3d6o s ALA 109 CO 0.06 0.39 -0.26 0.00 0.00 0.00 0.00 175.76 175.94 3d6o s GLU 111 N -1.20 1.00 0.00 0.00 2.02 -0.81 -4.90 118.70 114.81 3d6o s GLU 111 Ca 0.12 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 54.18 3d6o s GLU 111 Cb -0.10 0.39 0.00 0.00 0.10 0.00 0.00 34.13 34.52 3d6o s GLU 111 CO 0.02 -0.36 0.00 0.41 0.02 0.00 0.00 175.26 175.35 3d6o n GLY 112 N -0.15 0.23 2.87 -1.39 0.00 -1.26 -2.23 105.19 103.26 3d6o n GLY 112 Ca -0.13 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 3d6o n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3d6o s ASN 113 N -0.75 3.88 0.68 1.61 2.47 -1.26 -2.35 114.94 119.22 3d6o s ASN 113 Ca 0.00 -1.36 -0.13 0.00 0.42 0.00 0.00 52.86 51.79 3d6o s ASN 113 Cb 0.00 -1.08 0.01 0.00 -1.45 0.00 0.00 41.25 38.72 3d6o s ASN 113 CO 0.00 -0.31 1.08 -2.16 -3.72 0.00 0.00 177.10 171.99 3d6o s PRO 114 N 1.45 2.85 -0.53 0.43 0.04 -1.26 -5.10 135.00 132.87 3d6o s PRO 114 Ca 0.01 1.15 -0.28 0.00 0.04 0.00 0.00 61.00 61.92 3d6o s PRO 114 Cb -0.18 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.42 3d6o s PRO 114 CO -0.11 -1.19 1.11 -0.47 0.04 0.00 0.00 177.00 176.38 3d6o s TYR 115 N -2.72 2.74 0.11 0.56 5.04 -0.99 -4.88 117.35 117.20 3d6o s TYR 115 Ca 0.62 0.44 0.02 0.00 -2.44 0.00 0.00 57.07 55.71 3d6o s TYR 115 Cb -0.16 -4.36 -0.04 0.00 0.35 0.00 0.00 41.96 37.74 3d6o s TYR 115 CO 0.48 -1.40 -0.05 0.14 -1.34 0.00 0.00 175.55 173.38 3d6o s VAL 116 N 4.51 0.69 0.24 3.14 -7.23 -0.95 -4.88 120.40 115.92 3d6o s VAL 116 Ca 0.42 -1.94 -0.30 0.00 -1.81 0.00 0.00 61.98 58.34 3d6o s VAL 116 Cb -0.08 -1.75 -0.10 0.00 0.56 0.00 0.00 36.38 35.00 3d6o s VAL 116 CO 0.27 -0.81 1.51 -2.84 -0.31 0.00 0.00 175.10 172.91 3d6o s PRO 117 N -3.85 4.22 0.00 4.82 0.02 -1.26 -1.92 135.00 137.03 3d6o s PRO 117 Ca 0.14 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.54 3d6o s PRO 117 Cb 0.05 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.47 3d6o s PRO 117 CO -0.03 -0.51 0.00 1.33 -0.33 0.00 0.00 177.00 177.45 3d6o n VAL 118 N 2.69 0.00 -3.76 3.83 0.24 0.69 -4.49 118.33 117.53 3d6o n VAL 118 Ca 0.09 -0.31 -0.13 0.00 -2.04 0.00 0.00 64.34 61.95 3d6o n VAL 118 Cb 0.39 0.87 -0.11 0.00 -1.47 0.00 0.00 33.84 33.52 3d6o n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3d6o s HIS 119 N -0.97 -0.34 -0.29 6.34 5.65 -1.13 -4.59 115.29 119.95 3d6o s HIS 119 Ca 0.00 0.84 -0.15 0.00 0.25 0.00 0.00 55.06 56.00 3d6o s HIS 119 Cb 0.00 0.12 -0.03 0.00 -1.18 0.00 0.00 32.58 31.49 3d6o s HIS 119 CO 0.00 -0.17 0.36 0.12 -0.65 0.00 0.00 174.74 174.40 3d6o s PHE 120 N 0.25 3.23 -0.20 3.88 5.36 -1.26 -0.81 117.98 128.44 3d6o s PHE 120 Ca -0.01 0.27 -0.09 0.00 -0.96 0.00 0.00 56.93 56.14 3d6o s PHE 120 Cb -0.03 -2.60 -0.20 0.00 -0.34 0.00 0.00 43.02 39.85 3d6o s PHE 120 CO -0.00 -0.29 0.09 -3.47 -1.46 0.00 0.00 175.22 170.09 3d6o n ASP 121 N 5.34 2.01 -3.64 6.13 2.03 0.65 -4.96 116.55 124.12 3d6o n ASP 121 Ca -0.09 0.20 -0.04 0.00 0.52 0.00 0.00 54.79 55.39 3d6o n ASP 121 Cb 0.50 -0.78 -0.01 0.00 -0.72 0.00 0.00 41.12 40.11 3d6o n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3d6o s ALA 122 N -2.50 -1.90 0.07 -1.67 0.00 -1.04 -4.95 121.76 109.78 3d6o s ALA 122 Ca -0.29 0.70 0.08 0.00 0.00 0.00 0.00 51.96 52.45 3d6o s ALA 122 Cb 0.08 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 3d6o s ALA 122 CO 0.65 -0.89 -0.23 -1.54 0.00 0.00 0.00 175.76 173.75 3d6o s SER 123 N -2.72 2.78 0.00 0.00 1.04 -1.26 -0.21 113.70 113.33 3d6o s SER 123 Ca 0.10 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.93 3d6o s SER 123 Cb 0.00 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.91 3d6o s SER 123 CO -0.03 0.17 0.09 1.33 0.98 0.00 0.00 173.24 175.79