#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rta s GLU 2 N 0.00 4.71 0.34 1.97 2.12 -1.26 -5.02 118.70 121.56 1rta s GLU 2 Ca 0.00 1.43 -0.27 0.00 0.36 0.00 0.00 54.97 56.49 1rta s GLU 2 Cb 0.00 -3.35 -0.09 0.00 0.26 0.00 0.00 34.13 30.94 1rta s GLU 2 CO 0.00 0.29 1.09 0.99 -0.54 0.00 0.00 175.26 177.08 1rta s THR 3 N -0.26 3.54 0.35 -1.70 2.01 -1.26 -4.89 115.64 113.43 1rta s THR 3 Ca 0.45 1.37 0.15 0.00 0.31 0.00 0.00 61.69 63.97 1rta s THR 3 Cb -0.24 -3.81 0.36 0.00 0.01 0.00 0.00 72.50 68.82 1rta s THR 3 CO 0.30 0.19 1.60 0.00 -0.69 0.00 0.00 174.62 176.02 1rta h ALA 4 N 3.17 1.89 0.00 7.40 0.00 -1.95 0.23 119.26 130.00 1rta h ALA 4 Ca -0.48 0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1rta h ALA 4 Cb 1.22 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1rta h ALA 4 CO 0.65 -0.79 0.00 0.00 0.00 0.00 0.00 179.25 179.11 1rta h ALA 5 N 1.96 1.00 0.11 0.00 0.00 -1.86 -1.71 119.26 118.75 1rta h ALA 5 Ca 0.76 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 55.36 1rta h ALA 5 Cb 1.88 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1rta h ALA 5 CO -0.76 0.00 -1.59 0.00 0.00 0.00 0.00 179.25 176.90 1rta h ALA 6 N 2.18 0.33 0.67 0.00 0.00 -1.08 -2.15 119.26 119.21 1rta h ALA 6 Ca 0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 54.91 53.71 1rta h ALA 6 Cb 0.86 0.34 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1rta h ALA 6 CO 0.00 1.20 -0.32 -0.22 0.00 0.00 0.00 179.25 179.90 1rta h LYS 7 N 0.06 -0.87 -0.67 0.00 3.64 -0.69 -0.65 116.57 117.39 1rta h LYS 7 Ca -0.26 0.06 0.13 0.00 -1.27 0.00 0.00 60.65 59.31 1rta h LYS 7 Cb 2.02 0.20 -0.13 0.00 -0.41 0.00 0.00 32.23 33.91 1rta h LYS 7 CO 0.15 -0.55 -0.18 0.35 -2.27 0.00 0.00 179.45 176.95 1rta h PHE 8 N -1.01 -0.39 -0.28 1.91 3.04 -1.30 0.17 116.94 119.08 1rta h PHE 8 Ca -0.09 0.06 0.06 0.00 3.98 0.00 0.00 57.97 61.98 1rta h PHE 8 Cb 0.72 0.28 -0.05 0.00 2.56 0.00 0.00 35.95 39.45 1rta h PHE 8 CO -0.01 -0.30 -0.08 1.49 -2.02 0.00 0.00 178.31 177.39 1rta h GLU 9 N -0.01 -0.02 0.04 1.11 4.81 -1.28 0.55 114.58 119.79 1rta h GLU 9 Ca 0.32 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1rta h GLU 9 Cb 0.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1rta h GLU 9 CO -0.69 -0.01 -0.02 -0.09 -0.73 0.00 0.00 179.01 177.47 1rta h ARG 10 N -0.02 -0.06 0.00 1.92 2.43 -0.35 -2.57 114.38 115.74 1rta h ARG 10 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1rta h ARG 10 Cb 0.22 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1rta h ARG 10 CO -0.30 0.13 0.00 0.37 -1.51 0.00 0.00 179.97 178.67 1rta h GLN 11 N -0.24 0.00 0.00 0.20 4.15 -0.47 -3.39 115.11 115.37 1rta h GLN 11 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1rta h GLN 11 Cb 0.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.90 1rta h GLN 11 CO 0.01 0.00 0.00 0.72 -1.93 0.00 0.00 178.83 177.63 1rta n HIS 12 N -3.01 0.00 -3.69 3.99 8.25 0.19 -4.76 115.22 116.19 1rta n HIS 12 Ca 0.02 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.10 1rta n HIS 12 Cb 0.38 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.38 1rta n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1rta s MET 13 N -0.43 2.38 -0.53 -0.41 -1.94 -0.97 -0.68 119.30 116.71 1rta s MET 13 Ca 0.00 -1.58 0.03 0.00 -1.71 0.00 0.00 55.69 52.43 1rta s MET 13 Cb 0.00 -3.66 0.13 0.00 2.01 0.00 0.00 34.83 33.32 1rta s MET 13 CO 0.00 -0.97 0.29 0.34 -0.01 0.00 0.00 175.02 174.66 1rta s ASP 14 N 1.97 4.47 0.29 3.03 2.15 0.12 -4.88 116.67 123.84 1rta s ASP 14 Ca 0.04 -2.98 0.11 0.00 0.43 0.00 0.00 52.55 50.15 1rta s ASP 14 Cb -0.23 -1.67 0.43 0.00 -0.30 0.00 0.00 42.92 41.15 1rta s ASP 14 CO -0.01 -0.26 1.66 -1.28 -0.17 0.00 0.00 175.17 175.12 1rta h SER 15 N 6.60 0.00 0.00 -0.34 0.87 -1.72 -3.15 113.55 115.80 1rta h SER 15 Ca -0.07 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1rta h SER 15 Cb 0.90 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1rta h SER 15 CO 0.69 0.57 0.00 -1.54 -0.53 0.00 0.00 176.83 176.02 1rta n SER 16 N -3.87 0.12 -3.75 6.23 3.41 -1.26 -4.47 113.62 110.04 1rta n SER 16 Ca -0.01 -1.74 -0.14 0.00 -0.26 0.00 0.00 58.87 56.72 1rta n SER 16 Cb 0.57 -0.06 -0.14 0.00 -0.26 0.00 0.00 64.21 64.31 1rta n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1rta s THR 17 N -1.86 -0.05 0.53 6.66 -4.23 -1.19 -5.02 115.64 110.47 1rta s THR 17 Ca 0.00 0.18 0.33 0.00 -1.18 0.00 0.00 61.69 61.02 1rta s THR 17 Cb 0.00 -0.24 0.36 0.00 1.34 0.00 0.00 72.50 73.96 1rta s THR 17 CO 0.00 0.08 2.21 0.77 -0.54 0.00 0.00 174.62 177.14 1rta h SER 18 N 7.26 0.00 -5.17 3.99 4.64 -1.83 -3.42 113.55 119.02 1rta h SER 18 Ca -0.43 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.96 1rta h SER 18 Cb 1.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 1rta h SER 18 CO 0.42 0.04 0.39 0.00 -0.87 0.00 0.00 176.83 176.82 1rta s ALA 19 N -4.34 -1.17 0.60 5.18 0.00 -1.26 -4.81 121.76 115.97 1rta s ALA 19 Ca -0.04 -0.48 -0.18 0.00 0.00 0.00 0.00 51.96 51.26 1rta s ALA 19 Cb 0.14 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.93 1rta s ALA 19 CO 0.53 -1.02 0.95 0.00 0.00 0.00 0.00 175.76 176.22 1rta n ALA 20 N -0.57 0.14 -1.10 0.00 0.00 -1.26 -5.04 120.51 112.67 1rta n ALA 20 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1rta n ALA 20 Cb 0.60 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.94 1rta n ALA 20 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1rta n SER 21 N -0.74 0.00 -1.81 0.00 3.41 -1.26 -5.05 113.62 108.17 1rta n SER 21 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1rta n SER 21 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1rta n SER 21 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1rta n SER 22 N -1.20 0.00 -0.67 4.04 3.41 -1.26 -4.97 113.62 112.97 1rta n SER 22 Ca 0.00 -0.50 0.13 0.00 -0.26 0.00 0.00 58.87 58.24 1rta n SER 22 Cb 0.00 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.18 1rta n SER 22 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1rta n SER 23 N -1.49 2.20 -0.05 4.04 3.41 -1.26 -3.70 113.62 116.77 1rta n SER 23 Ca 0.00 -1.66 -0.10 0.00 -0.26 0.00 0.00 58.87 56.85 1rta n SER 23 Cb 0.00 0.10 -0.15 0.00 -0.26 0.00 0.00 64.21 63.90 1rta n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1rta n ASN 24 N 0.57 0.71 -0.17 4.04 4.05 -1.26 -4.40 115.26 118.81 1rta n ASN 24 Ca 0.14 0.25 0.04 0.00 0.45 0.00 0.00 54.58 55.46 1rta n ASN 24 Cb 0.48 0.22 0.09 0.00 1.23 0.00 0.00 39.78 41.80 1rta n ASN 24 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1rta n TYR 25 N -2.98 0.22 -0.21 1.20 9.36 -1.24 0.19 117.16 123.68 1rta n TYR 25 Ca -0.24 0.57 -0.04 0.00 3.32 0.00 0.00 57.90 61.51 1rta n TYR 25 Cb 1.08 -0.80 0.14 0.00 -0.63 0.00 0.00 39.34 39.13 1rta n TYR 25 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1rta h ASN 27 N 0.98 0.43 -0.40 0.00 2.35 0.17 -0.50 115.58 118.61 1rta h ASN 27 Ca 0.23 -0.24 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1rta h ASN 27 Cb 0.23 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1rta h ASN 27 CO -0.02 0.93 0.17 1.56 -1.65 0.00 0.00 177.43 178.42 1rta h GLN 28 N 0.28 0.60 0.10 0.81 4.20 -0.73 -3.19 115.11 117.19 1rta h GLN 28 Ca -0.00 -0.10 -0.32 0.00 0.06 0.00 0.00 58.65 58.28 1rta h GLN 28 Cb 1.13 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.79 1rta h GLN 28 CO 0.10 0.56 -1.74 1.98 -0.67 0.00 0.00 178.83 179.06 1rta h MET 29 N 0.51 0.22 -1.00 1.46 4.05 -1.00 -1.82 114.93 117.35 1rta h MET 29 Ca 0.14 -0.37 0.15 0.00 -0.28 0.00 0.00 59.70 59.34 1rta h MET 29 Cb 0.17 0.14 -0.10 0.00 -0.80 0.00 0.00 31.60 31.02 1rta h MET 29 CO -0.01 1.18 0.61 0.52 0.23 0.00 0.00 176.91 179.44 1rta h MET 30 N -0.21 0.84 0.23 0.39 2.86 -1.25 0.15 114.93 117.94 1rta h MET 30 Ca -0.38 -0.05 -0.33 0.00 -2.06 0.00 0.00 59.70 56.88 1rta h MET 30 Cb 1.85 -0.19 0.03 0.00 0.06 0.00 0.00 31.60 33.35 1rta h MET 30 CO 0.03 0.56 -1.47 -0.22 1.06 0.00 0.00 176.91 176.86 1rta h LYS 31 N 0.87 0.49 -0.61 1.72 3.11 -1.68 -0.07 116.57 120.39 1rta h LYS 31 Ca 0.53 -0.83 0.10 0.00 -2.81 0.00 0.00 60.65 57.64 1rta h LYS 31 Cb 0.69 0.31 -0.07 0.00 -1.00 0.00 0.00 32.23 32.15 1rta h LYS 31 CO -0.33 1.40 0.22 0.77 -2.81 0.00 0.00 179.45 178.70 1rta h SER 32 N 0.13 0.21 -0.68 4.20 0.02 -0.16 -1.31 113.55 115.95 1rta h SER 32 Ca -0.25 0.08 -0.21 0.00 -0.84 0.00 0.00 61.79 60.58 1rta h SER 32 Cb 2.14 0.07 -0.12 0.00 0.14 0.00 0.00 62.40 64.62 1rta h SER 32 CO 0.26 0.12 0.26 0.54 -1.14 0.00 0.00 176.83 176.87 1rta n ARG 33 N -5.01 3.44 -3.39 3.45 1.74 0.34 -4.93 116.66 112.29 1rta n ARG 33 Ca 0.09 -2.76 -0.18 0.00 -0.77 0.00 0.00 57.85 54.23 1rta n ARG 33 Cb 0.28 -2.13 0.08 0.00 -1.02 0.00 0.00 32.46 29.67 1rta n ARG 33 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1rta n ASN 34 N -0.12 -3.25 -1.35 0.55 5.03 -0.50 -4.88 115.26 110.74 1rta n ASN 34 Ca 0.38 -0.56 0.09 0.00 0.87 0.00 0.00 54.58 55.35 1rta n ASN 34 Cb 1.30 -4.81 0.32 0.00 -1.02 0.00 0.00 39.78 35.57 1rta n ASN 34 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1rta n LEU 35 N -4.17 4.44 -0.24 3.41 4.32 -0.05 -4.19 117.00 120.52 1rta n LEU 35 Ca -0.19 -2.53 0.03 0.00 -0.02 0.00 0.00 56.01 53.30 1rta n LEU 35 Cb 0.63 -0.53 0.04 0.00 -1.62 0.00 0.00 43.42 41.94 1rta n LEU 35 CO 0.58 0.76 0.38 0.35 -1.22 0.00 0.00 177.39 178.24 1rta n THR 36 N 0.69 0.69 -0.01 -5.08 -2.24 -1.26 -1.90 114.28 105.17 1rta n THR 36 Ca 0.23 -0.80 -0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1rta n THR 36 Cb 0.85 0.35 -0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1rta n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1rta h LYS 37 N 0.00 0.00 0.00 -0.78 1.79 -1.93 -3.46 116.57 112.19 1rta h LYS 37 Ca 0.00 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.21 1rta h LYS 37 Cb 1.12 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.72 1rta h LYS 37 CO 0.00 0.00 -1.96 -0.25 -1.08 0.00 0.00 179.45 176.16 1rta n ASP 38 N -2.51 2.35 -4.43 0.86 8.00 -1.26 -4.91 116.55 114.64 1rta n ASP 38 Ca -0.01 -0.01 -0.37 0.00 0.71 0.00 0.00 54.79 55.11 1rta n ASP 38 Cb 0.03 -0.33 0.06 0.00 -0.02 0.00 0.00 41.12 40.86 1rta n ASP 38 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1rta n ARG 39 N -3.19 0.32 -3.58 -1.24 5.12 -1.26 -5.01 116.66 107.83 1rta n ARG 39 Ca -0.31 0.14 -0.29 0.00 -1.93 0.00 0.00 57.85 55.46 1rta n ARG 39 Cb 0.80 -1.71 -0.14 0.00 -1.16 0.00 0.00 32.46 30.25 1rta n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1rta s LYS 41 N 1.67 4.14 0.29 0.00 2.20 -0.80 -4.92 119.74 122.33 1rta s LYS 41 Ca 0.12 1.65 0.06 0.00 -0.36 0.00 0.00 55.97 57.44 1rta s LYS 41 Cb -0.18 -2.63 0.45 0.00 -1.51 0.00 0.00 37.83 33.95 1rta s LYS 41 CO -0.24 -0.19 1.70 -1.35 -0.36 0.00 0.00 175.35 174.90 1rta h PRO 42 N 2.62 0.25 -1.61 4.03 0.11 -1.94 -3.43 132.00 132.04 1rta h PRO 42 Ca -0.48 -0.12 0.12 0.00 0.11 0.00 0.00 66.00 65.62 1rta h PRO 42 Cb 1.22 -0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.11 1rta h PRO 42 CO 0.63 0.63 0.60 0.54 -0.21 0.00 0.00 178.00 180.19 1rta s VAL 43 N -4.15 0.00 -0.21 3.15 0.11 -1.26 -0.58 120.40 117.47 1rta s VAL 43 Ca -0.05 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 58.82 1rta s VAL 43 Cb 0.13 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 34.04 1rta s VAL 43 CO 0.77 0.00 0.56 0.21 -3.33 0.00 0.00 175.10 173.31 1rta s ASN 44 N -1.41 -0.60 0.10 3.54 2.47 -0.80 -4.98 114.94 113.27 1rta s ASN 44 Ca 0.01 1.13 0.10 0.00 0.42 0.00 0.00 52.86 54.52 1rta s ASN 44 Cb -0.01 1.14 -0.04 0.00 -1.45 0.00 0.00 41.25 40.89 1rta s ASN 44 CO -0.02 -0.20 -0.24 0.28 -3.72 0.00 0.00 177.10 173.21 1rta s THR 45 N 0.42 2.43 -0.16 -5.21 -1.32 -1.26 -0.66 115.64 109.87 1rta s THR 45 Ca -0.01 -1.56 -0.00 0.00 -1.21 0.00 0.00 61.69 58.91 1rta s THR 45 Cb -0.04 -2.05 0.04 0.00 -1.51 0.00 0.00 72.50 68.93 1rta s THR 45 CO -0.01 0.18 -0.06 -0.36 -2.21 0.00 0.00 174.62 172.15 1rta s PHE 46 N -1.01 1.76 -0.13 9.09 0.08 0.10 -4.53 117.98 123.34 1rta s PHE 46 Ca 0.14 -1.09 -0.16 0.00 0.12 0.00 0.00 56.93 55.95 1rta s PHE 46 Cb -0.10 -1.35 -0.04 0.00 -0.57 0.00 0.00 43.02 40.96 1rta s PHE 46 CO 0.06 -0.62 0.39 0.08 -0.10 0.00 0.00 175.22 175.03 1rta s VAL 47 N 1.61 5.24 -0.57 -0.44 1.01 0.14 -0.79 120.40 126.61 1rta s VAL 47 Ca 0.01 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1rta s VAL 47 Cb -0.15 -3.72 0.45 0.00 0.00 0.00 0.00 36.38 32.96 1rta s VAL 47 CO -0.08 0.37 1.82 1.41 0.00 0.00 0.00 175.10 178.61 1rta n HIS 48 N 3.55 3.10 -4.30 5.22 8.25 -0.95 0.16 115.22 130.26 1rta n HIS 48 Ca -0.10 -2.81 -0.28 0.00 -0.26 0.00 0.00 57.72 54.28 1rta n HIS 48 Cb 0.52 -1.16 -0.10 0.00 1.12 0.00 0.00 29.99 30.37 1rta n HIS 48 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1rta s GLU 49 N -3.76 1.96 0.37 -0.41 2.56 -1.26 -4.72 118.70 113.44 1rta s GLU 49 Ca 0.61 -1.25 -0.28 0.00 0.00 0.00 0.00 54.97 54.05 1rta s GLU 49 Cb 0.48 -2.13 -0.11 0.00 2.00 0.00 0.00 34.13 34.37 1rta s GLU 49 CO 0.00 0.45 1.43 0.45 -0.56 0.00 0.00 175.26 177.03 1rta s SER 50 N -2.63 6.41 0.18 -1.70 0.15 -1.26 -4.16 113.70 110.69 1rta s SER 50 Ca 0.23 2.94 -0.23 0.00 0.70 0.00 0.00 55.95 59.59 1rta s SER 50 Cb -0.09 -2.66 0.09 0.00 -1.71 0.00 0.00 66.02 61.65 1rta s SER 50 CO 0.14 -0.81 1.58 0.25 1.20 0.00 0.00 173.24 175.59 1rta h LEU 51 N 3.03 -1.33 -0.76 3.45 5.85 -1.98 -1.18 115.31 122.40 1rta h LEU 51 Ca -0.50 0.24 0.17 0.00 0.84 0.00 0.00 57.88 58.63 1rta h LEU 51 Cb 1.24 0.63 -0.13 0.00 0.37 0.00 0.00 40.66 42.77 1rta h LEU 51 CO 0.64 -0.32 -0.01 0.00 -0.34 0.00 0.00 178.44 178.42 1rta h ALA 52 N 0.85 0.77 0.00 1.25 0.00 -2.00 0.51 119.26 120.65 1rta h ALA 52 Ca 0.22 0.25 -0.17 0.00 0.00 0.00 0.00 54.91 55.20 1rta h ALA 52 Cb 0.56 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1rta h ALA 52 CO -0.70 -0.43 -0.83 -0.44 0.00 0.00 0.00 179.25 176.85 1rta h ASP 53 N 0.09 0.00 -0.25 0.00 5.19 -1.86 -2.76 116.42 116.83 1rta h ASP 53 Ca 0.41 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.67 1rta h ASP 53 Cb 0.72 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.23 1rta h ASP 53 CO -0.68 0.83 -0.44 0.58 -3.12 0.00 0.00 179.24 176.41 1rta h VAL 54 N 0.00 1.30 0.00 -1.35 2.07 0.11 -2.81 116.25 115.58 1rta h VAL 54 Ca -0.01 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 65.87 1rta h VAL 54 Cb 1.56 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1rta h VAL 54 CO 0.11 0.52 0.00 0.00 0.02 0.00 0.00 177.57 178.22 1rta n GLN 55 N -4.15 0.20 0.32 1.57 10.64 0.23 -0.54 117.38 125.64 1rta n GLN 55 Ca -0.05 0.43 0.20 0.00 -1.83 0.00 0.00 57.00 55.75 1rta n GLN 55 Cb 0.56 -1.89 1.06 0.00 -0.86 0.00 0.00 30.24 29.12 1rta n GLN 55 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1rta h ALA 56 N 2.25 1.20 0.00 2.61 0.00 -1.21 -3.00 119.26 121.11 1rta h ALA 56 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rta h ALA 56 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1rta h ALA 56 CO 0.00 -0.12 0.00 0.28 0.00 0.00 0.00 179.25 179.41 1rta h VAL 57 N 0.00 0.00 -0.68 0.00 2.07 -0.89 -2.64 116.25 114.11 1rta h VAL 57 Ca 0.01 -0.81 0.20 0.00 0.82 0.00 0.00 66.70 66.92 1rta h VAL 57 Cb 0.23 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1rta h VAL 57 CO -0.00 0.00 0.56 0.00 0.02 0.00 0.00 177.57 178.15 1rta n SER 59 N -4.06 3.49 0.00 0.00 7.64 -0.99 -4.95 113.62 114.75 1rta n SER 59 Ca 0.14 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 58.02 1rta n SER 59 Cb 0.81 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1rta n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rta n GLN 60 N 1.17 3.59 -1.71 1.43 6.02 -0.61 -4.96 117.38 122.31 1rta n GLN 60 Ca 0.19 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.76 1rta n GLN 60 Cb 0.54 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.77 1rta n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1rta s LYS 61 N 4.21 3.05 -0.77 -1.09 2.36 -0.95 -4.82 119.74 121.73 1rta s LYS 61 Ca 0.00 1.78 -0.26 0.00 -2.55 0.00 0.00 55.97 54.95 1rta s LYS 61 Cb 0.00 -4.35 -0.01 0.00 -1.05 0.00 0.00 37.83 32.42 1rta s LYS 61 CO 0.00 -2.19 1.69 1.21 1.55 0.00 0.00 175.35 177.61 1rta s ASN 62 N 8.18 5.61 0.26 1.43 3.04 -1.26 0.59 114.94 132.80 1rta s ASN 62 Ca 0.94 -0.34 0.11 0.00 0.04 0.00 0.00 52.86 53.62 1rta s ASN 62 Cb -0.28 -2.55 -0.05 0.00 -1.54 0.00 0.00 41.25 36.83 1rta s ASN 62 CO 0.33 -2.22 -0.16 0.68 -3.04 0.00 0.00 177.10 172.69 1rta s VAL 63 N 8.00 2.71 0.57 -5.21 -7.23 -0.80 -4.98 120.40 113.46 1rta s VAL 63 Ca 0.58 -2.22 -0.18 0.00 -1.81 0.00 0.00 61.98 58.34 1rta s VAL 63 Cb -0.08 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 1rta s VAL 63 CO 0.10 -0.35 1.10 0.00 -0.31 0.00 0.00 175.10 175.64 1rta s ALA 64 N -2.34 2.67 0.34 1.32 0.00 -1.26 -3.16 121.76 119.33 1rta s ALA 64 Ca 0.29 0.64 -0.27 0.00 0.00 0.00 0.00 51.96 52.63 1rta s ALA 64 Cb -0.06 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 1rta s ALA 64 CO 0.15 -0.83 1.08 0.00 0.00 0.00 0.00 175.76 176.16 1rta h LYS 66 N 3.14 0.29 -0.28 0.00 3.64 -1.91 -1.56 116.57 119.90 1rta h LYS 66 Ca -0.48 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1rta h LYS 66 Cb 1.21 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1rta h LYS 66 CO 0.64 0.19 0.00 0.27 -2.27 0.00 0.00 179.45 178.29 1rta n ASN 67 N -5.13 1.31 0.00 4.20 6.94 -1.26 -4.93 115.26 116.39 1rta n ASN 67 Ca 0.19 -2.02 0.00 0.00 -0.02 0.00 0.00 54.58 52.73 1rta n ASN 67 Cb 0.60 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.84 1rta n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rta n GLY 68 N 0.81 1.02 3.77 4.83 0.00 -0.59 -5.09 105.19 109.93 1rta n GLY 68 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1rta n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rta s GLN 69 N -0.53 2.83 0.00 1.61 2.00 -1.26 -4.88 119.66 119.43 1rta s GLN 69 Ca 0.00 -0.76 0.29 0.00 -2.00 0.00 0.00 55.36 52.88 1rta s GLN 69 Cb 0.00 -2.67 1.21 0.00 0.80 0.00 0.00 33.01 32.34 1rta s GLN 69 CO 0.00 0.54 1.83 0.25 -0.50 0.00 0.00 175.29 177.42 1rta n THR 70 N 0.27 0.00 -1.30 -0.34 -2.24 -1.26 -1.06 114.28 108.35 1rta n THR 70 Ca -0.09 -0.14 -0.28 0.00 -2.27 0.00 0.00 64.05 61.28 1rta n THR 70 Cb 0.52 0.15 0.14 0.00 -2.10 0.00 0.00 70.33 69.04 1rta n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1rta n ASN 71 N -0.44 5.35 -4.93 3.42 6.94 -1.26 -4.65 115.26 119.69 1rta n ASN 71 Ca 0.18 -3.70 -0.22 0.00 -0.02 0.00 0.00 54.58 50.82 1rta n ASN 71 Cb 0.29 -0.88 -0.03 0.00 -2.36 0.00 0.00 39.78 36.80 1rta n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rta s TYR 73 N -1.94 0.14 0.04 0.00 2.02 0.51 -1.91 117.35 116.20 1rta s TYR 73 Ca 0.34 -0.26 -0.31 0.00 -0.37 0.00 0.00 57.07 56.47 1rta s TYR 73 Cb -0.09 -0.66 -0.07 0.00 -0.40 0.00 0.00 41.96 40.75 1rta s TYR 73 CO 0.28 -0.53 1.43 -1.14 -1.57 0.00 0.00 175.55 174.02 1rta s GLN 74 N 2.16 4.28 -0.11 -0.62 2.00 0.20 -2.64 119.66 124.93 1rta s GLN 74 Ca 0.03 2.04 -0.29 0.00 -2.00 0.00 0.00 55.36 55.14 1rta s GLN 74 Cb -0.16 -3.48 -0.06 0.00 0.80 0.00 0.00 33.01 30.11 1rta s GLN 74 CO -0.10 -0.55 2.09 -1.12 -0.50 0.00 0.00 175.29 175.10 1rta s SER 75 N 1.72 5.91 0.33 6.67 0.01 -0.44 -2.25 113.70 125.64 1rta s SER 75 Ca 0.65 2.20 0.08 0.00 1.31 0.00 0.00 55.95 60.19 1rta s SER 75 Cb -0.34 -2.52 0.79 0.00 0.21 0.00 0.00 66.02 64.16 1rta s SER 75 CO 0.28 -1.56 1.82 1.88 0.41 0.00 0.00 173.24 176.08 1rta h TYR 76 N 13.02 0.93 -1.87 2.43 0.05 -1.93 -3.43 116.97 126.17 1rta h TYR 76 Ca -0.44 0.03 -0.46 0.00 0.05 0.00 0.00 58.73 57.91 1rta h TYR 76 Cb 1.23 -0.29 0.05 0.00 1.01 0.00 0.00 36.73 38.74 1rta h TYR 76 CO 0.95 0.28 -0.02 -1.12 -1.05 0.00 0.00 178.16 177.19 1rta s SER 77 N -5.59 4.93 -0.03 3.88 0.01 -1.26 -5.09 113.70 110.55 1rta s SER 77 Ca -0.10 -0.38 -0.22 0.00 1.31 0.00 0.00 55.95 56.55 1rta s SER 77 Cb 0.23 -0.26 -0.05 0.00 0.21 0.00 0.00 66.02 66.15 1rta s SER 77 CO 0.80 -1.42 0.66 -0.89 0.41 0.00 0.00 173.24 172.80 1rta s THR 78 N -2.84 4.94 0.05 1.44 2.01 -1.26 -4.14 115.64 115.85 1rta s THR 78 Ca 0.61 1.38 0.06 0.00 0.31 0.00 0.00 61.69 64.06 1rta s THR 78 Cb -0.07 -4.00 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 1rta s THR 78 CO 0.40 0.34 -0.17 -0.04 -0.69 0.00 0.00 174.62 174.46 1rta s MET 79 N 0.28 1.06 0.02 4.92 -1.94 0.21 -4.77 119.30 119.08 1rta s MET 79 Ca 0.35 -0.87 -0.29 0.00 -1.71 0.00 0.00 55.69 53.17 1rta s MET 79 Cb -0.18 -1.12 -0.04 0.00 2.01 0.00 0.00 34.83 35.50 1rta s MET 79 CO 0.18 0.28 0.92 -1.54 -0.01 0.00 0.00 175.02 174.85 1rta s SER 80 N -1.29 7.33 -0.01 3.03 1.04 -1.26 -0.26 113.70 122.29 1rta s SER 80 Ca 0.03 1.61 0.03 0.00 0.48 0.00 0.00 55.95 58.09 1rta s SER 80 Cb -0.09 -2.55 -0.00 0.00 0.10 0.00 0.00 66.02 63.48 1rta s SER 80 CO 0.02 -0.18 -0.08 0.27 0.98 0.00 0.00 173.24 174.24 1rta s ILE 81 N 0.72 0.67 -0.02 -1.02 -4.36 0.59 -2.23 121.20 115.55 1rta s ILE 81 Ca 0.48 -0.35 -0.00 0.00 -0.26 0.00 0.00 60.65 60.52 1rta s ILE 81 Cb -0.21 -0.57 -0.04 0.00 1.25 0.00 0.00 42.46 42.89 1rta s ILE 81 CO 0.27 0.19 0.04 -0.89 0.24 0.00 0.00 174.94 174.80 1rta s THR 82 N -0.13 4.50 -0.01 8.37 2.01 0.03 -0.08 115.64 130.32 1rta s THR 82 Ca 0.02 -0.44 0.07 0.00 0.31 0.00 0.00 61.69 61.65 1rta s THR 82 Cb -0.04 -3.02 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 1rta s THR 82 CO -0.00 0.40 -0.22 -1.81 -0.69 0.00 0.00 174.62 172.30 1rta s ASP 83 N -1.55 2.54 -0.23 3.53 1.01 0.88 -0.72 116.67 122.13 1rta s ASP 83 Ca 0.20 -0.40 0.02 0.00 0.71 0.00 0.00 52.55 53.08 1rta s ASP 83 Cb -0.12 -0.28 0.05 0.00 1.01 0.00 0.00 42.92 43.59 1rta s ASP 83 CO 0.11 0.26 -0.11 0.00 0.21 0.00 0.00 175.17 175.64 1rta s ARG 85 N 1.24 3.66 -0.18 0.00 0.52 -0.88 -1.90 118.95 121.41 1rta s ARG 85 Ca -0.05 -0.52 -0.35 0.00 -0.52 0.00 0.00 55.73 54.28 1rta s ARG 85 Cb -0.18 -2.92 -0.12 0.00 0.52 0.00 0.00 34.95 32.25 1rta s ARG 85 CO -0.07 0.22 1.92 0.39 0.02 0.00 0.00 175.30 177.79 1rta n GLU 86 N 3.59 1.78 -3.03 3.54 1.02 0.26 -0.46 120.64 127.33 1rta n GLU 86 Ca -0.17 0.63 -0.40 0.00 -0.02 0.00 0.00 57.16 57.20 1rta n GLU 86 Cb 0.52 -2.53 -0.05 0.00 -0.02 0.00 0.00 31.44 29.36 1rta n GLU 86 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1rta s THR 87 N 4.74 4.76 -0.41 2.62 -1.32 -0.55 -4.86 115.64 120.62 1rta s THR 87 Ca 0.97 1.55 -0.31 0.00 -1.21 0.00 0.00 61.69 62.69 1rta s THR 87 Cb -0.78 -4.08 -0.10 0.00 -1.51 0.00 0.00 72.50 66.04 1rta s THR 87 CO 0.53 0.38 2.29 0.61 -2.21 0.00 0.00 174.62 176.23 1rta n GLY 88 N 2.38 0.46 0.00 6.08 0.00 -1.26 -1.55 105.19 111.29 1rta n GLY 88 Ca -0.03 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.84 1rta n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rta n SER 89 N 11.67 0.00 -4.68 1.61 2.88 -1.26 -5.06 113.62 118.78 1rta n SER 89 Ca 0.40 0.00 -0.51 0.00 -1.33 0.00 0.00 58.87 57.43 1rta n SER 89 Cb 0.33 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.74 1rta n SER 89 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1rta n SER 90 N 0.00 3.15 -3.87 -3.46 2.88 -0.60 -4.93 113.62 106.79 1rta n SER 90 Ca 0.00 0.96 -0.28 0.00 -1.33 0.00 0.00 58.87 58.22 1rta n SER 90 Cb 0.00 -1.31 -0.16 0.00 -0.75 0.00 0.00 64.21 61.98 1rta n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1rta s LYS 91 N 4.11 1.30 -0.11 -1.46 2.47 -0.82 -4.86 119.74 120.36 1rta s LYS 91 Ca 0.95 -0.54 -0.29 0.00 -1.56 0.00 0.00 55.97 54.53 1rta s LYS 91 Cb -0.78 -2.06 -0.04 0.00 -1.46 0.00 0.00 37.83 33.49 1rta s LYS 91 CO 0.55 -0.48 1.54 -0.47 0.16 0.00 0.00 175.35 176.64 1rta s TYR 92 N 1.65 2.24 -0.04 4.03 5.04 -1.26 -0.90 117.35 128.12 1rta s TYR 92 Ca -0.00 0.47 -0.12 0.00 -2.44 0.00 0.00 57.07 54.97 1rta s TYR 92 Cb -0.16 -3.81 -0.07 0.00 0.35 0.00 0.00 41.96 38.27 1rta s TYR 92 CO -0.07 -3.12 0.55 -1.00 -1.34 0.00 0.00 175.55 170.57 1rta h PRO 93 N 9.34 -0.42 -5.77 4.97 0.13 -1.97 -3.49 132.00 134.78 1rta h PRO 93 Ca -0.35 0.03 -0.49 0.00 -0.87 0.00 0.00 66.00 64.33 1rta h PRO 93 Cb 1.15 0.10 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 1rta h PRO 93 CO 0.97 -0.28 1.44 0.54 -0.23 0.00 0.00 178.00 180.43 1rta s ASN 94 N -4.66 5.90 0.32 1.44 6.03 -0.07 -4.97 114.94 118.93 1rta s ASN 94 Ca -0.06 -1.67 -0.11 0.00 -1.03 0.00 0.00 52.86 49.98 1rta s ASN 94 Cb 0.01 -2.58 -0.07 0.00 -3.03 0.00 0.00 41.25 35.58 1rta s ASN 94 CO 0.19 -2.11 0.68 0.00 -2.03 0.00 0.00 177.10 173.83 1rta s ALA 96 N -2.05 0.04 -0.07 0.00 0.00 -1.26 -4.93 121.76 113.49 1rta s ALA 96 Ca 0.51 -0.42 -0.22 0.00 0.00 0.00 0.00 51.96 51.83 1rta s ALA 96 Cb -0.11 0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.17 1rta s ALA 96 CO 0.23 -0.14 0.50 0.71 0.00 0.00 0.00 175.76 177.07 1rta s TYR 97 N -1.16 -0.45 -0.26 0.00 2.02 -1.26 -1.49 117.35 114.75 1rta s TYR 97 Ca -0.13 0.86 -0.22 0.00 -0.37 0.00 0.00 57.07 57.21 1rta s TYR 97 Cb -0.08 0.24 -0.01 0.00 -0.40 0.00 0.00 41.96 41.70 1rta s TYR 97 CO -0.01 -0.44 0.69 0.21 -1.57 0.00 0.00 175.55 174.43 1rta s LYS 98 N -0.90 4.11 -0.42 -0.62 2.47 0.39 -4.68 119.74 120.10 1rta s LYS 98 Ca -0.09 0.63 -0.29 0.00 -1.56 0.00 0.00 55.97 54.66 1rta s LYS 98 Cb -0.03 -3.66 0.01 0.00 -1.46 0.00 0.00 37.83 32.69 1rta s LYS 98 CO 0.06 -0.46 1.44 0.99 0.16 0.00 0.00 175.35 177.53 1rta s THR 99 N 2.62 3.86 -0.13 3.43 2.01 -1.26 -2.07 115.64 124.10 1rta s THR 99 Ca 0.29 0.87 0.01 0.00 0.31 0.00 0.00 61.69 63.16 1rta s THR 99 Cb -0.15 -4.18 -0.01 0.00 0.01 0.00 0.00 72.50 68.17 1rta s THR 99 CO 0.09 -0.76 -0.17 -0.89 -0.69 0.00 0.00 174.62 172.20 1rta s THR 100 N 5.60 2.63 -0.01 -0.82 2.01 -0.19 -4.94 115.64 119.93 1rta s THR 100 Ca 0.62 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.83 1rta s THR 100 Cb -0.14 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1rta s THR 100 CO 0.32 0.53 0.01 -1.58 -0.69 0.00 0.00 174.62 173.21 1rta s GLN 101 N 0.57 2.82 0.07 4.92 2.00 -1.26 -0.08 119.66 128.69 1rta s GLN 101 Ca -0.10 -0.59 -0.23 0.00 -2.00 0.00 0.00 55.36 52.45 1rta s GLN 101 Cb -0.16 -2.69 0.06 0.00 0.80 0.00 0.00 33.01 31.01 1rta s GLN 101 CO 0.04 0.63 0.54 0.00 -0.50 0.00 0.00 175.29 176.00 1rta s ALA 102 N -1.08 -1.38 -0.18 1.58 0.00 0.88 -4.98 121.76 116.59 1rta s ALA 102 Ca 0.19 0.58 -0.08 0.00 0.00 0.00 0.00 51.96 52.66 1rta s ALA 102 Cb -0.12 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 1rta s ALA 102 CO 0.10 -0.56 0.07 -0.80 0.00 0.00 0.00 175.76 174.57 1rta s ASN 103 N -2.13 5.65 0.28 0.00 -0.87 -1.26 -0.30 114.94 116.31 1rta s ASN 103 Ca -0.04 0.08 -0.09 0.00 -1.57 0.00 0.00 52.86 51.25 1rta s ASN 103 Cb -0.00 -1.97 0.04 0.00 -0.02 0.00 0.00 41.25 39.29 1rta s ASN 103 CO -0.04 0.17 0.53 0.29 -2.57 0.00 0.00 177.10 175.49 1rta n LYS 104 N 3.56 0.77 -3.94 -0.60 5.02 0.65 -4.82 118.16 118.79 1rta n LYS 104 Ca -0.16 -1.69 -0.30 0.00 -2.02 0.00 0.00 58.31 54.14 1rta n LYS 104 Cb 0.52 2.00 -0.04 0.00 -0.02 0.00 0.00 35.03 37.49 1rta n LYS 104 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1rta s HIS 105 N -3.97 3.48 0.08 2.13 3.76 -1.26 0.67 115.29 120.18 1rta s HIS 105 Ca 0.13 0.21 0.07 0.00 -0.15 0.00 0.00 55.06 55.32 1rta s HIS 105 Cb -0.03 -1.73 -0.03 0.00 1.11 0.00 0.00 32.58 31.90 1rta s HIS 105 CO 0.10 0.57 -0.18 0.96 -0.85 0.00 0.00 174.74 175.34 1rta s ILE 106 N -1.54 1.42 -0.12 0.60 -5.25 -1.26 -1.05 121.20 113.99 1rta s ILE 106 Ca 0.34 -1.37 0.03 0.00 -0.99 0.00 0.00 60.65 58.67 1rta s ILE 106 Cb -0.13 -1.31 0.01 0.00 2.95 0.00 0.00 42.46 43.98 1rta s ILE 106 CO 0.28 -0.09 -0.22 -0.63 -1.79 0.00 0.00 174.94 172.48 1rta s ILE 107 N -1.14 2.02 0.04 8.37 1.09 -0.11 -1.33 121.20 130.14 1rta s ILE 107 Ca 0.03 -0.97 0.04 0.00 -1.10 0.00 0.00 60.65 58.65 1rta s ILE 107 Cb -0.10 -1.77 -0.02 0.00 -1.06 0.00 0.00 42.46 39.51 1rta s ILE 107 CO 0.03 0.55 -0.12 0.68 -0.10 0.00 0.00 174.94 175.97 1rta s VAL 108 N 0.67 0.94 0.03 2.92 -7.23 -1.08 -1.06 120.40 115.58 1rta s VAL 108 Ca -0.11 -0.98 -0.24 0.00 -1.81 0.00 0.00 61.98 58.83 1rta s VAL 108 Cb -0.16 -0.88 -0.05 0.00 0.56 0.00 0.00 36.38 35.85 1rta s VAL 108 CO 0.02 -0.09 0.74 0.00 -0.31 0.00 0.00 175.10 175.46 1rta s ALA 109 N -0.94 3.38 0.20 1.32 0.00 -0.25 -0.36 121.76 125.11 1rta s ALA 109 Ca -0.01 0.24 0.11 0.00 0.00 0.00 0.00 51.96 52.30 1rta s ALA 109 Cb -0.08 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 1rta s ALA 109 CO 0.01 0.06 -0.22 0.00 0.00 0.00 0.00 175.76 175.61 1rta s GLU 111 N -2.75 0.79 0.04 0.00 -1.05 -0.89 -4.86 118.70 109.98 1rta s GLU 111 Ca 0.22 -0.43 0.00 0.00 -0.15 0.00 0.00 54.97 54.60 1rta s GLU 111 Cb -0.08 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 1rta s GLU 111 CO 0.11 -0.36 0.00 0.41 0.95 0.00 0.00 175.26 176.37 1rta n GLY 112 N -0.48 -1.71 3.13 -3.83 0.00 -1.26 -2.73 105.19 98.31 1rta n GLY 112 Ca -0.07 -2.03 -0.33 0.00 0.00 0.00 0.00 46.02 43.58 1rta n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rta s ASN 113 N -4.00 3.49 0.91 1.61 3.04 -1.26 -2.92 114.94 115.82 1rta s ASN 113 Ca 0.00 -0.77 -0.12 0.00 0.04 0.00 0.00 52.86 52.01 1rta s ASN 113 Cb 0.00 -1.52 0.14 0.00 -1.54 0.00 0.00 41.25 38.33 1rta s ASN 113 CO 0.00 -0.04 1.09 -2.84 -3.04 0.00 0.00 177.10 172.27 1rta s PRO 114 N 1.27 1.11 -0.08 0.43 0.02 -1.26 -5.07 135.00 131.42 1rta s PRO 114 Ca 0.03 0.73 -0.29 0.00 0.02 0.00 0.00 61.00 61.48 1rta s PRO 114 Cb -0.14 -1.80 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 1rta s PRO 114 CO -0.11 -2.32 0.98 -0.47 -0.33 0.00 0.00 177.00 174.75 1rta s TYR 115 N -2.96 3.54 0.24 6.54 5.04 -1.15 -4.86 117.35 123.75 1rta s TYR 115 Ca 0.64 1.58 -0.14 0.00 -2.44 0.00 0.00 57.07 56.71 1rta s TYR 115 Cb -0.18 -3.15 0.00 0.00 0.35 0.00 0.00 41.96 38.99 1rta s TYR 115 CO 0.57 -0.17 0.49 0.14 -1.34 0.00 0.00 175.55 175.24 1rta s VAL 116 N 1.75 0.01 -0.03 3.14 -7.23 -1.11 -4.99 120.40 111.94 1rta s VAL 116 Ca 0.48 -1.30 -0.30 0.00 -1.81 0.00 0.00 61.98 59.05 1rta s VAL 116 Cb -0.19 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.64 1rta s VAL 116 CO 0.20 -0.04 1.08 -2.84 -0.31 0.00 0.00 175.10 173.19 1rta s PRO 117 N -3.99 4.45 -0.10 4.82 0.02 -1.26 -2.10 135.00 136.84 1rta s PRO 117 Ca 0.20 1.54 0.11 0.00 0.02 0.00 0.00 61.00 62.87 1rta s PRO 117 Cb -0.01 -3.48 -0.15 0.00 0.02 0.00 0.00 34.50 30.88 1rta s PRO 117 CO 0.07 -0.25 0.08 1.33 -0.33 0.00 0.00 177.00 177.89 1rta n VAL 118 N 4.24 0.68 -4.15 3.83 0.24 -0.62 -4.46 118.33 118.10 1rta n VAL 118 Ca 0.08 -0.46 -0.26 0.00 -2.04 0.00 0.00 64.34 61.66 1rta n VAL 118 Cb 0.48 -0.54 -0.17 0.00 -1.47 0.00 0.00 33.84 32.14 1rta n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1rta s HIS 119 N -2.38 1.48 -0.19 6.34 5.65 -1.10 -4.43 115.29 120.66 1rta s HIS 119 Ca -0.06 -0.68 -0.22 0.00 0.25 0.00 0.00 55.06 54.35 1rta s HIS 119 Cb 0.04 -1.18 -0.02 0.00 -1.18 0.00 0.00 32.58 30.24 1rta s HIS 119 CO 0.49 -0.43 0.70 0.12 -0.65 0.00 0.00 174.74 174.97 1rta s PHE 120 N 1.33 3.38 -0.22 3.88 5.36 -1.26 -1.08 117.98 129.36 1rta s PHE 120 Ca -0.02 1.03 -0.14 0.00 -0.96 0.00 0.00 56.93 56.84 1rta s PHE 120 Cb -0.14 -2.88 -0.09 0.00 -0.34 0.00 0.00 43.02 39.57 1rta s PHE 120 CO -0.04 -0.22 -0.32 -3.47 -1.46 0.00 0.00 175.22 169.71 1rta n ASP 121 N 5.20 1.80 -3.37 6.13 2.03 -0.22 -4.94 116.55 123.18 1rta n ASP 121 Ca 0.01 0.31 -0.08 0.00 0.52 0.00 0.00 54.79 55.54 1rta n ASP 121 Cb 0.49 -0.73 -0.00 0.00 -0.72 0.00 0.00 41.12 40.16 1rta n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rta s ALA 122 N -2.58 -0.81 0.10 -1.67 0.00 -1.07 -4.92 121.76 110.81 1rta s ALA 122 Ca -0.32 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.04 1rta s ALA 122 Cb 0.10 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 1rta s ALA 122 CO 0.42 -0.99 -0.11 -1.54 0.00 0.00 0.00 175.76 173.55 1rta s SER 123 N -3.02 1.50 0.00 0.00 1.04 -1.26 -0.93 113.70 111.02 1rta s SER 123 Ca 0.15 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.79 1rta s SER 123 Cb -0.05 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.07 1rta s SER 123 CO 0.10 -0.24 0.00 0.55 0.98 0.00 0.00 173.24 174.63