#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3rsp s GLU 2 N 0.00 4.69 0.74 1.97 2.12 -1.26 -5.04 118.70 121.93 3rsp s GLU 2 Ca 0.00 1.73 -0.11 0.00 0.36 0.00 0.00 54.97 56.95 3rsp s GLU 2 Cb 0.00 -3.21 0.04 0.00 0.26 0.00 0.00 34.13 31.22 3rsp s GLU 2 CO 0.00 0.29 1.08 0.95 -0.54 0.00 0.00 175.26 177.04 3rsp s THR 3 N -1.16 3.60 0.21 -1.70 -4.23 -1.26 -4.87 115.64 106.23 3rsp s THR 3 Ca 0.44 0.52 -0.09 0.00 -1.18 0.00 0.00 61.69 61.37 3rsp s THR 3 Cb -0.30 -3.11 0.16 0.00 1.34 0.00 0.00 72.50 70.59 3rsp s THR 3 CO 0.39 -0.68 1.84 0.00 -0.54 0.00 0.00 174.62 175.63 3rsp h ALA 4 N -0.97 1.00 -0.65 3.99 0.00 -1.96 -1.76 119.26 118.91 3rsp h ALA 4 Ca -0.44 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 3rsp h ALA 4 Cb 1.22 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3rsp h ALA 4 CO 0.54 0.50 0.40 0.00 0.00 0.00 0.00 179.25 180.68 3rsp h ALA 5 N 1.24 0.83 -0.26 0.00 0.00 -1.91 -2.26 119.26 116.89 3rsp h ALA 5 Ca 0.28 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 3rsp h ALA 5 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3rsp h ALA 5 CO -0.05 0.30 -0.32 0.00 0.00 0.00 0.00 179.25 179.18 3rsp h ALA 6 N 1.21 0.95 -0.55 0.00 0.00 -1.88 -2.69 119.26 116.29 3rsp h ALA 6 Ca 0.23 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 3rsp h ALA 6 Cb -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3rsp h ALA 6 CO -0.04 0.61 -0.01 -0.22 0.00 0.00 0.00 179.25 179.59 3rsp h LYS 7 N 0.48 0.94 -0.60 0.00 3.64 -1.07 -1.90 116.57 118.06 3rsp h LYS 7 Ca 0.06 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.13 3rsp h LYS 7 Cb 0.79 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 3rsp h LYS 7 CO 0.06 0.94 0.29 0.35 -2.27 0.00 0.00 179.45 178.82 3rsp h PHE 8 N 0.87 0.85 0.09 1.91 3.04 -1.29 -0.79 116.94 121.62 3rsp h PHE 8 Ca 0.16 -0.04 0.01 0.00 3.98 0.00 0.00 57.97 62.08 3rsp h PHE 8 Cb 0.52 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.75 3rsp h PHE 8 CO 0.03 0.65 -0.10 0.93 -2.02 0.00 0.00 178.31 177.80 3rsp h GLU 9 N 0.81 -0.21 -0.30 1.11 5.08 -1.26 0.46 114.58 120.28 3rsp h GLU 9 Ca 0.21 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3rsp h GLU 9 Cb 0.11 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3rsp h GLU 9 CO -0.03 -0.14 0.16 -0.09 -1.00 0.00 0.00 179.01 177.92 3rsp h ARG 10 N -0.22 0.41 0.00 2.33 2.43 -1.23 -1.67 114.38 116.43 3rsp h ARG 10 Ca 0.01 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 58.99 3rsp h ARG 10 Cb 0.22 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3rsp h ARG 10 CO -0.04 0.36 -0.67 1.96 -1.51 0.00 0.00 179.97 180.06 3rsp h GLN 11 N 0.36 0.00 0.00 0.20 4.20 -1.03 -3.41 115.11 115.43 3rsp h GLN 11 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3rsp h GLN 11 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3rsp h GLN 11 CO -0.02 0.67 -0.24 0.72 -0.67 0.00 0.00 178.83 179.30 3rsp n HIS 12 N -3.41 0.00 -3.61 2.96 8.25 0.14 -4.70 115.22 114.85 3rsp n HIS 12 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 3rsp n HIS 12 Cb 0.75 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.79 3rsp n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3rsp s MET 13 N -1.29 4.09 -0.41 -0.41 -1.94 -0.63 -0.63 119.30 118.09 3rsp s MET 13 Ca 0.00 0.05 0.05 0.00 -1.71 0.00 0.00 55.69 54.09 3rsp s MET 13 Cb 0.01 -3.37 0.20 0.00 2.01 0.00 0.00 34.83 33.68 3rsp s MET 13 CO 0.04 0.38 0.43 -3.47 -0.01 0.00 0.00 175.02 172.38 3rsp n ASP 14 N 3.14 -0.47 -0.04 3.03 2.03 -0.62 -4.88 116.55 118.74 3rsp n ASP 14 Ca -0.14 -2.52 0.15 0.00 0.52 0.00 0.00 54.79 52.80 3rsp n ASP 14 Cb 0.52 -0.43 0.73 0.00 -0.72 0.00 0.00 41.12 41.23 3rsp n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3rsp n SER 15 N 2.36 0.15 0.10 1.67 7.64 -1.26 -3.81 113.62 120.46 3rsp n SER 15 Ca 0.26 -0.36 0.13 0.00 1.01 0.00 0.00 58.87 59.91 3rsp n SER 15 Cb 0.50 -0.19 0.43 0.00 -1.01 0.00 0.00 64.21 63.95 3rsp n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3rsp n SER 16 N -1.15 0.72 -4.39 6.43 3.41 -1.26 -4.84 113.62 112.54 3rsp n SER 16 Ca 0.15 0.58 -0.20 0.00 -0.26 0.00 0.00 58.87 59.14 3rsp n SER 16 Cb 0.24 -0.77 -0.10 0.00 -0.26 0.00 0.00 64.21 63.32 3rsp n SER 16 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3rsp s THR 17 N -3.11 1.85 -0.14 6.66 -1.32 -1.25 -5.05 115.64 113.28 3rsp s THR 17 Ca 0.10 -2.23 0.18 0.00 -1.21 0.00 0.00 61.69 58.53 3rsp s THR 17 Cb 0.13 -2.18 -0.11 0.00 -1.51 0.00 0.00 72.50 68.83 3rsp s THR 17 CO 0.57 -0.50 0.88 0.77 -2.21 0.00 0.00 174.62 174.13 3rsp h SER 18 N 2.44 0.00 -4.50 8.08 4.64 -1.88 -3.44 113.55 118.89 3rsp h SER 18 Ca -0.39 0.00 0.29 0.00 -0.47 0.00 0.00 61.79 61.22 3rsp h SER 18 Cb 1.23 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.14 3rsp h SER 18 CO 0.63 0.48 0.86 0.00 -0.87 0.00 0.00 176.83 177.93 3rsp s ALA 19 N -2.99 -2.14 0.14 5.18 0.00 -1.26 -4.88 121.76 115.80 3rsp s ALA 19 Ca -0.02 1.50 -0.30 0.00 0.00 0.00 0.00 51.96 53.14 3rsp s ALA 19 Cb 0.09 -0.09 -0.08 0.00 0.00 0.00 0.00 23.12 23.04 3rsp s ALA 19 CO 0.81 -0.67 1.28 0.00 0.00 0.00 0.00 175.76 177.17 3rsp s ALA 20 N -2.32 3.49 -0.34 0.00 0.00 -1.26 -4.93 121.76 116.39 3rsp s ALA 20 Ca 0.11 1.01 0.17 0.00 0.00 0.00 0.00 51.96 53.25 3rsp s ALA 20 Cb 0.00 -3.47 -0.24 0.00 0.00 0.00 0.00 23.12 19.41 3rsp s ALA 20 CO -0.04 -0.49 0.52 0.43 0.00 0.00 0.00 175.76 176.18 3rsp n SER 21 N 3.32 0.90 -4.31 0.00 7.64 -1.26 -4.97 113.62 114.93 3rsp n SER 21 Ca 0.08 -0.36 -0.20 0.00 1.01 0.00 0.00 58.87 59.40 3rsp n SER 21 Cb 0.44 1.48 -0.11 0.00 -1.01 0.00 0.00 64.21 65.01 3rsp n SER 21 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3rsp s SER 22 N -3.47 2.50 0.00 6.43 0.15 -1.26 -5.02 113.70 113.04 3rsp s SER 22 Ca -0.01 -0.88 0.16 0.00 0.70 0.00 0.00 55.95 55.92 3rsp s SER 22 Cb 0.12 -0.13 0.68 0.00 -1.71 0.00 0.00 66.02 64.98 3rsp s SER 22 CO 0.72 -0.08 1.49 -1.54 1.20 0.00 0.00 173.24 175.03 3rsp n SER 23 N 0.23 0.00 -0.42 5.45 3.41 -1.26 -2.29 113.62 118.74 3rsp n SER 23 Ca -0.13 0.45 0.12 0.00 -0.26 0.00 0.00 58.87 59.05 3rsp n SER 23 Cb 0.58 -0.48 0.23 0.00 -0.26 0.00 0.00 64.21 64.28 3rsp n SER 23 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3rsp n ASN 24 N -1.48 1.60 -0.19 4.04 3.02 -1.26 -4.48 115.26 116.51 3rsp n ASN 24 Ca 0.04 -1.27 -0.00 0.00 -0.03 0.00 0.00 54.58 53.32 3rsp n ASN 24 Cb 0.18 0.23 0.08 0.00 -0.61 0.00 0.00 39.78 39.66 3rsp n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3rsp h TYR 25 N 2.06 -0.11 -0.57 3.10 5.03 -1.86 -2.55 116.97 122.06 3rsp h TYR 25 Ca 0.00 0.05 -0.10 0.00 2.58 0.00 0.00 58.73 61.26 3rsp h TYR 25 Cb 0.64 0.14 -0.02 0.00 1.55 0.00 0.00 36.73 39.03 3rsp h TYR 25 CO 0.00 -0.18 -0.02 0.00 -1.32 0.00 0.00 178.16 176.64 3rsp h ASN 27 N 0.90 0.91 -0.10 0.00 2.35 -1.74 -1.85 115.58 116.06 3rsp h ASN 27 Ca 0.16 -0.07 -0.14 0.00 -0.55 0.00 0.00 56.30 55.70 3rsp h ASN 27 Cb 0.57 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.71 3rsp h ASN 27 CO 0.03 0.73 -0.48 1.56 -1.65 0.00 0.00 177.43 177.62 3rsp h GLN 28 N 1.03 0.50 -0.31 0.81 7.50 -1.29 -3.16 115.11 120.20 3rsp h GLN 28 Ca 0.26 -0.41 -0.17 0.00 0.50 0.00 0.00 58.65 58.83 3rsp h GLN 28 Cb 0.02 0.08 -0.00 0.00 0.05 0.00 0.00 27.48 27.63 3rsp h GLN 28 CO -0.04 1.04 -0.49 0.52 -1.50 0.00 0.00 178.83 178.36 3rsp h MET 29 N 0.09 0.86 -0.34 1.46 2.86 -1.18 -1.68 114.93 117.00 3rsp h MET 29 Ca -0.03 -0.51 -0.01 0.00 -2.06 0.00 0.00 59.70 57.08 3rsp h MET 29 Cb 1.13 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.82 3rsp h MET 29 CO 0.10 1.15 0.15 0.52 1.06 0.00 0.00 176.91 179.88 3rsp h MET 30 N 0.68 0.47 -0.01 1.72 2.86 -1.47 -1.38 114.93 117.80 3rsp h MET 30 Ca 0.03 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 3rsp h MET 30 Cb 1.08 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.65 3rsp h MET 30 CO 0.11 0.38 -0.31 -0.22 1.06 0.00 0.00 176.91 177.93 3rsp h LYS 31 N 0.47 0.24 0.00 1.72 3.64 -1.48 -0.11 116.57 121.05 3rsp h LYS 31 Ca 0.12 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3rsp h LYS 31 Cb 0.08 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3rsp h LYS 31 CO -0.01 0.94 -0.01 0.66 -2.27 0.00 0.00 179.45 178.75 3rsp h SER 32 N -0.37 0.00 -0.37 4.20 4.64 -0.99 -1.87 113.55 118.79 3rsp h SER 32 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3rsp h SER 32 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3rsp h SER 32 CO 0.06 0.01 0.00 0.54 -0.87 0.00 0.00 176.83 176.57 3rsp n ARG 33 N -3.12 2.04 -2.79 4.77 5.12 -0.55 -4.93 116.66 117.20 3rsp n ARG 33 Ca -0.00 -1.60 -0.17 0.00 -1.93 0.00 0.00 57.85 54.15 3rsp n ARG 33 Cb 0.28 -1.40 0.03 0.00 -1.16 0.00 0.00 32.46 30.21 3rsp n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3rsp n ASN 34 N 0.80 -4.98 -0.91 0.55 3.02 -0.70 -4.91 115.26 108.13 3rsp n ASN 34 Ca 0.16 -0.20 0.11 0.00 -0.03 0.00 0.00 54.58 54.62 3rsp n ASN 34 Cb 0.41 -3.85 0.27 0.00 -0.61 0.00 0.00 39.78 36.00 3rsp n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3rsp n LEU 35 N -3.04 2.71 -0.07 3.41 4.77 -0.06 -3.98 117.00 120.74 3rsp n LEU 35 Ca -0.09 -1.17 0.09 0.00 -0.03 0.00 0.00 56.01 54.81 3rsp n LEU 35 Cb 0.59 -0.20 0.13 0.00 -2.33 0.00 0.00 43.42 41.62 3rsp n LEU 35 CO 0.35 0.58 0.56 0.35 -1.33 0.00 0.00 177.39 177.90 3rsp n THR 36 N 1.01 1.81 0.08 -5.08 -2.24 -1.23 -2.76 114.28 105.87 3rsp n THR 36 Ca 0.18 -2.17 -0.03 0.00 -2.27 0.00 0.00 64.05 59.76 3rsp n THR 36 Cb 0.49 -0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 3rsp n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3rsp h LYS 37 N 0.00 -0.20 0.13 -0.78 1.57 -1.91 -3.39 116.57 111.99 3rsp h LYS 37 Ca 0.00 0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.61 3rsp h LYS 37 Cb 0.98 0.05 0.02 0.00 0.08 0.00 0.00 32.23 33.36 3rsp h LYS 37 CO 0.00 -0.13 -0.81 -0.44 -0.57 0.00 0.00 179.45 177.49 3rsp h ASP 38 N -0.25 0.44 -5.58 0.86 3.32 -1.89 -3.49 116.42 109.84 3rsp h ASP 38 Ca -0.02 -0.95 -0.28 0.00 0.02 0.00 0.00 57.03 55.80 3rsp h ASP 38 Cb 0.16 -0.14 -0.10 0.00 0.22 0.00 0.00 39.33 39.47 3rsp h ASP 38 CO 0.04 1.39 -0.31 0.00 -1.72 0.00 0.00 179.24 178.64 3rsp s ARG 39 N -2.42 1.73 -0.32 3.56 3.03 -1.26 -5.02 118.95 118.25 3rsp s ARG 39 Ca -0.14 -1.73 -0.21 0.00 2.03 0.00 0.00 55.73 55.68 3rsp s ARG 39 Cb 0.01 0.40 -0.00 0.00 -1.03 0.00 0.00 34.95 34.32 3rsp s ARG 39 CO 0.82 -0.69 0.67 0.00 -1.13 0.00 0.00 175.30 174.97 3rsp s LYS 41 N 2.72 4.22 0.18 0.00 2.20 -1.11 -4.92 119.74 123.04 3rsp s LYS 41 Ca 0.26 2.33 -0.11 0.00 -0.36 0.00 0.00 55.97 58.09 3rsp s LYS 41 Cb -0.15 -3.23 0.08 0.00 -1.51 0.00 0.00 37.83 33.03 3rsp s LYS 41 CO 0.13 -0.61 1.70 -1.00 -0.36 0.00 0.00 175.35 175.22 3rsp h PRO 42 N 7.01 0.99 -4.07 4.03 0.13 -1.95 -3.44 132.00 134.70 3rsp h PRO 42 Ca -0.43 -0.22 -0.28 0.00 -0.87 0.00 0.00 66.00 64.20 3rsp h PRO 42 Cb 1.20 -0.14 -0.28 0.00 0.13 0.00 0.00 31.00 31.92 3rsp h PRO 42 CO 0.91 0.88 -0.74 0.08 -0.23 0.00 0.00 178.00 178.91 3rsp s VAL 43 N -5.36 0.24 -0.26 1.56 1.01 -1.26 -1.58 120.40 114.75 3rsp s VAL 43 Ca -0.12 -0.19 -0.24 0.00 0.00 0.00 0.00 61.98 61.43 3rsp s VAL 43 Cb 0.13 -0.22 0.07 0.00 0.00 0.00 0.00 36.38 36.36 3rsp s VAL 43 CO 0.82 0.03 0.68 0.21 0.00 0.00 0.00 175.10 176.84 3rsp s ASN 44 N -0.18 -0.71 -0.09 3.32 2.47 -0.28 -5.02 114.94 114.46 3rsp s ASN 44 Ca 0.00 1.37 0.01 0.00 0.42 0.00 0.00 52.86 54.67 3rsp s ASN 44 Cb -0.02 1.39 -0.02 0.00 -1.45 0.00 0.00 41.25 41.15 3rsp s ASN 44 CO -0.00 -0.24 -0.12 -0.89 -3.72 0.00 0.00 177.10 172.13 3rsp s THR 45 N 0.37 3.18 -0.08 -5.21 2.01 -1.26 -0.96 115.64 113.68 3rsp s THR 45 Ca -0.00 -0.65 -0.02 0.00 0.31 0.00 0.00 61.69 61.33 3rsp s THR 45 Cb -0.05 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 3rsp s THR 45 CO 0.01 0.56 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.14 3rsp s PHE 46 N -0.26 3.15 -0.18 4.92 0.08 -0.41 -4.48 117.98 120.80 3rsp s PHE 46 Ca 0.02 0.18 -0.04 0.00 0.12 0.00 0.00 56.93 57.21 3rsp s PHE 46 Cb -0.13 -1.78 -0.02 0.00 -0.57 0.00 0.00 43.02 40.51 3rsp s PHE 46 CO 0.03 0.46 -0.03 0.08 -0.10 0.00 0.00 175.22 175.66 3rsp s VAL 47 N -0.87 3.79 -1.02 -0.44 1.01 0.20 -1.19 120.40 121.88 3rsp s VAL 47 Ca 0.13 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 3rsp s VAL 47 Cb -0.11 -2.68 0.30 0.00 0.00 0.00 0.00 36.38 33.88 3rsp s VAL 47 CO 0.02 0.46 1.39 1.41 0.00 0.00 0.00 175.10 178.38 3rsp n HIS 48 N 3.96 2.44 -4.06 5.22 -0.00 0.25 -1.59 115.22 121.44 3rsp n HIS 48 Ca -0.17 -2.79 -0.10 0.00 -0.00 0.00 0.00 57.72 54.65 3rsp n HIS 48 Cb 0.52 -1.16 -0.08 0.00 -0.00 0.00 0.00 29.99 29.27 3rsp n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3rsp s GLU 49 N -2.76 1.25 0.67 -0.41 0.41 -1.26 -4.51 118.70 112.09 3rsp s GLU 49 Ca 0.32 -1.36 -0.15 0.00 -0.41 0.00 0.00 54.97 53.38 3rsp s GLU 49 Cb 0.06 0.36 0.00 0.00 -1.78 0.00 0.00 34.13 32.77 3rsp s GLU 49 CO 0.09 -0.46 1.10 -1.54 -0.49 0.00 0.00 175.26 173.97 3rsp s SER 50 N -3.05 5.10 0.17 -0.19 1.04 -1.26 -4.31 113.70 111.20 3rsp s SER 50 Ca 0.26 1.97 -0.14 0.00 0.48 0.00 0.00 55.95 58.51 3rsp s SER 50 Cb 0.04 -2.55 0.07 0.00 0.10 0.00 0.00 66.02 63.68 3rsp s SER 50 CO 0.06 -1.64 1.82 0.25 0.98 0.00 0.00 173.24 174.71 3rsp h LEU 51 N -0.06 0.50 -0.97 2.42 5.85 -1.98 -1.86 115.31 119.21 3rsp h LEU 51 Ca -0.46 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.29 3rsp h LEU 51 Cb 1.24 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.10 3rsp h LEU 51 CO 0.54 0.36 0.63 0.00 -0.34 0.00 0.00 178.44 179.63 3rsp h ALA 52 N 1.21 1.29 -0.21 1.25 0.00 -1.99 -0.22 119.26 120.59 3rsp h ALA 52 Ca 0.19 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3rsp h ALA 52 Cb -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3rsp h ALA 52 CO -0.07 0.50 -0.25 -0.44 0.00 0.00 0.00 179.25 178.98 3rsp h ASP 53 N 1.21 0.38 -0.13 0.00 3.32 -1.75 -2.11 116.42 117.33 3rsp h ASP 53 Ca 0.39 -0.12 -0.17 0.00 0.02 0.00 0.00 57.03 57.14 3rsp h ASP 53 Cb 0.02 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.48 3rsp h ASP 53 CO -0.13 0.64 -0.59 0.58 -1.72 0.00 0.00 179.24 178.02 3rsp h VAL 54 N 0.34 1.33 -0.58 -1.35 2.07 -0.71 -3.14 116.25 114.22 3rsp h VAL 54 Ca 0.05 -1.86 0.04 0.00 0.82 0.00 0.00 66.70 65.75 3rsp h VAL 54 Cb 0.63 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 3rsp h VAL 54 CO 0.05 0.57 0.38 1.56 0.02 0.00 0.00 177.57 180.15 3rsp h GLN 55 N 0.29 0.63 0.00 1.57 4.20 -0.96 -1.83 115.11 119.01 3rsp h GLN 55 Ca -0.04 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 3rsp h GLN 55 Cb 1.22 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.86 3rsp h GLN 55 CO 0.12 0.42 -0.01 0.00 -0.67 0.00 0.00 178.83 178.69 3rsp h ALA 56 N 1.67 1.05 0.00 3.87 0.00 -1.33 -2.54 119.26 121.97 3rsp h ALA 56 Ca 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3rsp h ALA 56 Cb 0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3rsp h ALA 56 CO -0.06 0.02 -0.02 0.28 0.00 0.00 0.00 179.25 179.46 3rsp h VAL 57 N 0.00 0.63 0.00 0.00 2.07 -1.38 -1.87 116.25 115.70 3rsp h VAL 57 Ca -0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3rsp h VAL 57 Cb 0.21 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3rsp h VAL 57 CO 0.00 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.61 3rsp n SER 59 N -1.63 2.82 0.00 0.00 7.64 -0.70 -5.01 113.62 116.74 3rsp n SER 59 Ca 0.00 -2.26 0.00 0.00 1.01 0.00 0.00 58.87 57.62 3rsp n SER 59 Cb 0.04 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 3rsp n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3rsp n GLN 60 N -0.07 2.07 -2.53 1.43 6.02 -0.49 -5.02 117.38 118.80 3rsp n GLN 60 Ca 0.11 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.67 3rsp n GLN 60 Cb 0.48 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.72 3rsp n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3rsp s LYS 61 N 4.00 3.94 -0.13 -1.09 2.47 -1.13 -4.89 119.74 122.90 3rsp s LYS 61 Ca 0.00 1.08 -0.29 0.00 -1.56 0.00 0.00 55.97 55.19 3rsp s LYS 61 Cb 0.00 -3.83 -0.02 0.00 -1.46 0.00 0.00 37.83 32.52 3rsp s LYS 61 CO 0.00 -1.09 1.20 1.21 0.16 0.00 0.00 175.35 176.83 3rsp s ASN 62 N 2.34 7.02 0.19 1.43 3.04 -1.26 -0.30 114.94 127.39 3rsp s ASN 62 Ca 0.51 1.68 -0.00 0.00 0.04 0.00 0.00 52.86 55.09 3rsp s ASN 62 Cb -0.13 -2.55 -0.04 0.00 -1.54 0.00 0.00 41.25 36.99 3rsp s ASN 62 CO 0.22 -0.67 0.08 0.68 -3.04 0.00 0.00 177.10 174.37 3rsp s VAL 63 N 2.92 0.24 0.45 -5.21 -7.23 -0.53 -4.96 120.40 106.09 3rsp s VAL 63 Ca 0.53 -1.97 -0.20 0.00 -1.81 0.00 0.00 61.98 58.53 3rsp s VAL 63 Cb -0.22 -2.35 -0.10 0.00 0.56 0.00 0.00 36.38 34.27 3rsp s VAL 63 CO 0.16 -0.20 0.96 0.00 -0.31 0.00 0.00 175.10 175.71 3rsp s ALA 64 N -3.97 3.04 0.47 1.32 0.00 -1.26 -3.21 121.76 118.16 3rsp s ALA 64 Ca 0.33 0.36 -0.09 0.00 0.00 0.00 0.00 51.96 52.55 3rsp s ALA 64 Cb 0.07 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 19.99 3rsp s ALA 64 CO 0.08 0.06 0.83 0.00 0.00 0.00 0.00 175.76 176.73 3rsp h LYS 66 N 0.66 0.13 -0.00 0.00 1.57 -1.93 -0.47 116.57 116.53 3rsp h LYS 66 Ca -0.47 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3rsp h LYS 66 Cb 1.19 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3rsp h LYS 66 CO 0.63 0.09 -0.04 0.27 -0.57 0.00 0.00 179.45 179.82 3rsp n ASN 67 N -4.43 0.17 0.00 0.86 0.23 -1.26 -4.92 115.26 105.92 3rsp n ASN 67 Ca 0.09 -0.43 0.00 0.00 -0.53 0.00 0.00 54.58 53.71 3rsp n ASN 67 Cb 0.50 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 3rsp n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3rsp n GLY 68 N 1.24 1.68 3.75 4.83 0.00 -0.18 -5.06 105.19 111.45 3rsp n GLY 68 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3rsp n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3rsp s GLN 69 N -1.00 2.61 -0.27 1.61 -0.21 -1.26 -4.72 119.66 116.42 3rsp s GLN 69 Ca 0.00 1.61 0.12 0.00 0.02 0.00 0.00 55.36 57.11 3rsp s GLN 69 Cb 0.00 -1.91 0.60 0.00 1.00 0.00 0.00 33.01 32.70 3rsp s GLN 69 CO 0.00 -1.44 1.57 0.25 -2.12 0.00 0.00 175.29 173.56 3rsp n THR 70 N -2.33 2.60 -1.41 -0.19 -2.24 -1.26 -1.26 114.28 108.20 3rsp n THR 70 Ca 0.12 -2.05 -0.21 0.00 -2.27 0.00 0.00 64.05 59.64 3rsp n THR 70 Cb 0.51 -0.31 0.14 0.00 -2.10 0.00 0.00 70.33 68.57 3rsp n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3rsp n ASN 71 N -0.60 4.48 -4.92 3.42 6.94 -1.26 -4.79 115.26 118.53 3rsp n ASN 71 Ca 0.32 -3.73 -0.31 0.00 -0.02 0.00 0.00 54.58 50.84 3rsp n ASN 71 Cb 1.12 -0.76 -0.04 0.00 -2.36 0.00 0.00 39.78 37.73 3rsp n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3rsp s TYR 73 N -1.49 0.14 -0.12 0.00 1.51 0.05 -1.45 117.35 115.99 3rsp s TYR 73 Ca 0.34 0.00 -0.04 0.00 -1.01 0.00 0.00 57.07 56.37 3rsp s TYR 73 Cb -0.13 -0.15 -0.03 0.00 -0.11 0.00 0.00 41.96 41.54 3rsp s TYR 73 CO 0.26 -0.03 0.02 -1.14 -1.11 0.00 0.00 175.55 173.55 3rsp s GLN 74 N 0.27 3.37 0.33 -0.62 0.74 0.59 -1.98 119.66 122.35 3rsp s GLN 74 Ca -0.02 -0.40 -0.29 0.00 0.05 0.00 0.00 55.36 54.70 3rsp s GLN 74 Cb -0.04 -2.93 -0.10 0.00 1.10 0.00 0.00 33.01 31.03 3rsp s GLN 74 CO -0.01 0.52 1.39 -1.54 -0.55 0.00 0.00 175.29 175.10 3rsp s SER 75 N -0.37 6.63 0.24 6.67 1.04 -0.31 -2.85 113.70 124.76 3rsp s SER 75 Ca 0.08 2.79 -0.03 0.00 0.48 0.00 0.00 55.95 59.26 3rsp s SER 75 Cb -0.12 -2.65 0.28 0.00 0.10 0.00 0.00 66.02 63.63 3rsp s SER 75 CO 0.02 -0.67 1.72 1.88 0.98 0.00 0.00 173.24 177.18 3rsp h TYR 76 N 3.66 0.88 -1.20 5.02 0.05 -1.96 -3.44 116.97 119.98 3rsp h TYR 76 Ca -0.49 -0.14 -0.57 0.00 0.05 0.00 0.00 58.73 57.59 3rsp h TYR 76 Cb 1.23 -0.23 -0.07 0.00 1.01 0.00 0.00 36.73 38.66 3rsp h TYR 76 CO 0.56 0.83 -0.43 -1.54 -1.05 0.00 0.00 178.16 176.53 3rsp s SER 77 N -6.66 4.56 0.52 3.88 1.04 -1.26 -5.07 113.70 110.70 3rsp s SER 77 Ca -0.10 -1.12 -0.14 0.00 0.48 0.00 0.00 55.95 55.07 3rsp s SER 77 Cb 0.14 -0.17 -0.07 0.00 0.10 0.00 0.00 66.02 66.03 3rsp s SER 77 CO 0.82 -0.74 0.96 0.42 0.98 0.00 0.00 173.24 175.68 3rsp s THR 78 N -2.65 4.61 0.10 2.02 -4.23 -1.26 -4.47 115.64 109.76 3rsp s THR 78 Ca 0.37 1.05 0.04 0.00 -1.18 0.00 0.00 61.69 61.97 3rsp s THR 78 Cb 0.01 -3.75 -0.04 0.00 1.34 0.00 0.00 72.50 70.06 3rsp s THR 78 CO 0.21 -0.75 -0.10 -0.04 -0.54 0.00 0.00 174.62 173.41 3rsp s MET 79 N -4.24 0.87 -0.16 3.99 -1.94 0.74 -4.86 119.30 113.70 3rsp s MET 79 Ca 0.57 -1.19 -0.29 0.00 -1.71 0.00 0.00 55.69 53.07 3rsp s MET 79 Cb -0.10 -0.55 -0.01 0.00 2.01 0.00 0.00 34.83 36.17 3rsp s MET 79 CO 0.35 0.08 1.27 0.45 -0.01 0.00 0.00 175.02 177.17 3rsp s SER 80 N -2.51 6.94 0.15 3.03 0.15 -1.26 -1.81 113.70 118.38 3rsp s SER 80 Ca 0.07 1.70 0.02 0.00 0.70 0.00 0.00 55.95 58.44 3rsp s SER 80 Cb -0.02 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.70 3rsp s SER 80 CO 0.00 -0.77 -0.03 0.27 1.20 0.00 0.00 173.24 173.91 3rsp s ILE 81 N 3.52 0.77 -0.07 6.45 -4.36 -0.20 -0.58 121.20 126.72 3rsp s ILE 81 Ca 0.55 -1.98 -0.00 0.00 -0.26 0.00 0.00 60.65 58.96 3rsp s ILE 81 Cb -0.22 -1.98 0.02 0.00 1.25 0.00 0.00 42.46 41.54 3rsp s ILE 81 CO 0.15 -0.61 -0.04 -0.89 0.24 0.00 0.00 174.94 173.79 3rsp s THR 82 N -3.59 0.61 -0.06 8.37 2.01 -0.33 -1.54 115.64 121.11 3rsp s THR 82 Ca 0.20 -0.07 -0.09 0.00 0.31 0.00 0.00 61.69 62.03 3rsp s THR 82 Cb 0.05 -0.69 -0.05 0.00 0.01 0.00 0.00 72.50 71.83 3rsp s THR 82 CO 0.01 0.28 0.24 -0.62 -0.69 0.00 0.00 174.62 173.85 3rsp s ASP 83 N 1.55 6.54 -0.14 3.53 2.15 -0.11 -1.28 116.67 128.90 3rsp s ASP 83 Ca -0.01 0.64 0.01 0.00 0.43 0.00 0.00 52.55 53.63 3rsp s ASP 83 Cb -0.13 -2.13 0.02 0.00 -0.30 0.00 0.00 42.92 40.38 3rsp s ASP 83 CO -0.04 0.36 -0.18 0.00 -0.17 0.00 0.00 175.17 175.14 3rsp s ARG 85 N 1.10 0.07 0.48 0.00 0.52 -1.12 -1.13 118.95 118.88 3rsp s ARG 85 Ca -0.02 -0.11 -0.23 0.00 -0.52 0.00 0.00 55.73 54.85 3rsp s ARG 85 Cb -0.14 0.02 -0.07 0.00 0.52 0.00 0.00 34.95 35.28 3rsp s ARG 85 CO -0.06 -0.01 1.25 -1.21 0.02 0.00 0.00 175.30 175.29 3rsp s GLU 86 N -0.28 3.60 0.55 3.54 2.02 -0.61 -1.09 118.70 126.43 3rsp s GLU 86 Ca -0.03 1.98 0.04 0.00 0.02 0.00 0.00 54.97 56.98 3rsp s GLU 86 Cb -0.02 -2.41 0.06 0.00 0.10 0.00 0.00 34.13 31.85 3rsp s GLU 86 CO -0.00 -0.74 0.77 0.95 0.02 0.00 0.00 175.26 176.25 3rsp s THR 87 N -1.43 2.56 0.51 3.63 -4.23 -0.97 -4.82 115.64 110.89 3rsp s THR 87 Ca 0.65 -0.80 0.20 0.00 -1.18 0.00 0.00 61.69 60.56 3rsp s THR 87 Cb -0.34 -2.75 0.34 0.00 1.34 0.00 0.00 72.50 71.09 3rsp s THR 87 CO 0.41 0.00 2.04 1.23 -0.54 0.00 0.00 174.62 177.76 3rsp h GLY 88 N 0.13 0.11 -1.45 3.99 0.00 -1.95 -2.35 103.07 101.54 3rsp h GLY 88 Ca -0.38 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3rsp h GLY 88 CO 0.46 0.02 0.00 1.44 0.00 0.00 0.00 176.54 178.46 3rsp n SER 89 N -4.45 2.10 -4.82 0.19 7.64 -1.26 -4.95 113.62 108.07 3rsp n SER 89 Ca 0.06 -2.14 -0.38 0.00 1.01 0.00 0.00 58.87 57.41 3rsp n SER 89 Cb 0.39 -0.34 -0.06 0.00 -1.01 0.00 0.00 64.21 63.19 3rsp n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3rsp s SER 90 N -0.74 6.85 0.04 6.43 0.15 -0.89 -4.80 113.70 120.74 3rsp s SER 90 Ca 0.21 1.00 -0.03 0.00 0.70 0.00 0.00 55.95 57.83 3rsp s SER 90 Cb 0.13 -2.28 -0.02 0.00 -1.71 0.00 0.00 66.02 62.14 3rsp s SER 90 CO 0.11 0.28 0.03 -0.75 1.20 0.00 0.00 173.24 174.11 3rsp s LYS 91 N -0.88 0.57 0.01 5.44 2.20 -0.80 -4.91 119.74 121.37 3rsp s LYS 91 Ca 0.25 -0.93 -0.34 0.00 -0.36 0.00 0.00 55.97 54.58 3rsp s LYS 91 Cb -0.17 0.21 -0.13 0.00 -1.51 0.00 0.00 37.83 36.23 3rsp s LYS 91 CO 0.14 -0.12 1.75 0.98 -0.36 0.00 0.00 175.35 177.74 3rsp n TYR 92 N 0.58 2.29 0.00 4.03 4.19 -1.26 0.17 117.16 127.16 3rsp n TYR 92 Ca -0.18 0.12 0.00 0.00 3.31 0.00 0.00 57.90 61.15 3rsp n TYR 92 Cb 0.59 -2.61 0.00 0.00 0.49 0.00 0.00 39.34 37.81 3rsp n TYR 92 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3rsp n GLY 93 N 3.97 3.42 2.34 2.98 0.00 -1.26 -4.85 105.19 111.79 3rsp n GLY 93 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 3rsp n GLY 93 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3rsp n ASN 94 N 0.00 -0.33 -4.77 1.61 4.05 0.44 -5.12 115.26 111.14 3rsp n ASN 94 Ca 0.00 -3.05 -0.41 0.00 0.45 0.00 0.00 54.58 51.57 3rsp n ASN 94 Cb 0.00 0.07 -0.02 0.00 1.23 0.00 0.00 39.78 41.06 3rsp n ASN 94 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3rsp s ALA 96 N -1.04 0.36 0.05 0.00 0.00 -1.26 -4.91 121.76 114.97 3rsp s ALA 96 Ca 0.49 0.12 0.06 0.00 0.00 0.00 0.00 51.96 52.63 3rsp s ALA 96 Cb -0.39 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 3rsp s ALA 96 CO 0.51 -0.05 -0.16 0.71 0.00 0.00 0.00 175.76 176.78 3rsp s TYR 97 N 0.92 1.38 -0.03 0.00 2.02 -1.26 -2.29 117.35 118.10 3rsp s TYR 97 Ca -0.10 -0.39 -0.18 0.00 -0.37 0.00 0.00 57.07 56.03 3rsp s TYR 97 Cb -0.13 -0.80 -0.05 0.00 -0.40 0.00 0.00 41.96 40.57 3rsp s TYR 97 CO -0.01 0.07 0.52 0.21 -1.57 0.00 0.00 175.55 174.76 3rsp s LYS 98 N -1.37 4.22 -0.22 -0.62 2.20 -0.25 -4.67 119.74 119.04 3rsp s LYS 98 Ca 0.02 0.58 -0.07 0.00 -0.36 0.00 0.00 55.97 56.14 3rsp s LYS 98 Cb -0.09 -3.33 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 3rsp s LYS 98 CO 0.02 0.41 0.06 0.99 -0.36 0.00 0.00 175.35 176.47 3rsp s THR 99 N -0.27 4.42 -0.23 3.43 2.01 -1.26 -2.78 115.64 120.96 3rsp s THR 99 Ca 0.28 -0.15 -0.01 0.00 0.31 0.00 0.00 61.69 62.12 3rsp s THR 99 Cb -0.17 -3.03 0.06 0.00 0.01 0.00 0.00 72.50 69.37 3rsp s THR 99 CO 0.15 0.39 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.57 3rsp s THR 100 N 1.07 1.15 0.10 -0.82 2.01 -0.72 -4.99 115.64 113.43 3rsp s THR 100 Ca 0.04 -1.04 -0.24 0.00 0.31 0.00 0.00 61.69 60.76 3rsp s THR 100 Cb -0.14 -1.54 -0.07 0.00 0.01 0.00 0.00 72.50 70.76 3rsp s THR 100 CO 0.03 -0.20 0.72 -1.58 -0.69 0.00 0.00 174.62 172.90 3rsp s GLN 101 N 1.56 4.46 0.30 4.92 2.00 -1.26 -0.93 119.66 130.71 3rsp s GLN 101 Ca -0.02 1.02 -0.18 0.00 -2.00 0.00 0.00 55.36 54.18 3rsp s GLN 101 Cb -0.18 -3.30 0.03 0.00 0.80 0.00 0.00 33.01 30.36 3rsp s GLN 101 CO -0.08 0.47 0.71 0.00 -0.50 0.00 0.00 175.29 175.89 3rsp s ALA 102 N -0.71 -0.95 -0.28 1.58 0.00 -0.59 -5.01 121.76 115.80 3rsp s ALA 102 Ca 0.35 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.83 3rsp s ALA 102 Cb -0.21 0.84 0.07 0.00 0.00 0.00 0.00 23.12 23.82 3rsp s ALA 102 CO 0.23 -1.00 -0.04 -0.80 0.00 0.00 0.00 175.76 174.15 3rsp s ASN 103 N -2.97 4.45 0.25 0.00 -0.87 -1.26 -1.03 114.94 113.51 3rsp s ASN 103 Ca 0.14 -1.63 -0.06 0.00 -1.57 0.00 0.00 52.86 49.74 3rsp s ASN 103 Cb -0.05 -1.49 -0.02 0.00 -0.02 0.00 0.00 41.25 39.67 3rsp s ASN 103 CO 0.09 -0.27 0.34 -0.54 -2.57 0.00 0.00 177.10 174.15 3rsp s LYS 104 N 1.10 1.50 0.33 -0.60 1.02 -0.75 -4.79 119.74 117.56 3rsp s LYS 104 Ca -0.01 -1.52 -0.26 0.00 0.02 0.00 0.00 55.97 54.20 3rsp s LYS 104 Cb -0.19 0.39 -0.10 0.00 -0.52 0.00 0.00 37.83 37.41 3rsp s LYS 104 CO -0.07 -0.58 0.95 -1.01 -0.92 0.00 0.00 175.35 173.72 3rsp s HIS 105 N -3.86 3.65 0.13 3.18 3.76 -1.26 -0.19 115.29 120.71 3rsp s HIS 105 Ca 0.31 1.77 0.05 0.00 -0.15 0.00 0.00 55.06 57.04 3rsp s HIS 105 Cb 0.02 -2.94 -0.04 0.00 1.11 0.00 0.00 32.58 30.73 3rsp s HIS 105 CO 0.13 0.13 0.07 0.96 -0.85 0.00 0.00 174.74 175.18 3rsp s ILE 106 N -1.63 4.22 -0.13 0.60 -4.36 -1.26 -1.10 121.20 117.54 3rsp s ILE 106 Ca 0.51 -1.08 0.01 0.00 -0.26 0.00 0.00 60.65 59.83 3rsp s ILE 106 Cb -0.19 -3.09 0.02 0.00 1.25 0.00 0.00 42.46 40.45 3rsp s ILE 106 CO 0.24 -0.01 -0.15 -0.63 0.24 0.00 0.00 174.94 174.63 3rsp s ILE 107 N -1.58 1.57 0.16 8.37 1.01 0.07 -1.16 121.20 129.63 3rsp s ILE 107 Ca 0.29 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 60.35 3rsp s ILE 107 Cb -0.11 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 3rsp s ILE 107 CO 0.21 0.46 -0.13 0.68 0.00 0.00 0.00 174.94 176.15 3rsp s VAL 108 N 1.29 1.43 -0.16 2.92 -7.23 -0.84 -1.25 120.40 116.56 3rsp s VAL 108 Ca 0.01 -1.98 -0.08 0.00 -1.81 0.00 0.00 61.98 58.12 3rsp s VAL 108 Cb -0.14 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 3rsp s VAL 108 CO -0.07 -0.56 0.12 0.00 -0.31 0.00 0.00 175.10 174.27 3rsp s ALA 109 N -2.73 3.70 0.12 1.32 0.00 -0.75 -0.77 121.76 122.66 3rsp s ALA 109 Ca 0.16 -0.69 0.10 0.00 0.00 0.00 0.00 51.96 51.53 3rsp s ALA 109 Cb -0.02 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 3rsp s ALA 109 CO 0.04 0.37 -0.23 0.00 0.00 0.00 0.00 175.76 175.94 3rsp s GLU 111 N -2.10 1.23 0.52 0.00 2.02 -0.74 -4.90 118.70 114.73 3rsp s GLU 111 Ca 0.16 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.61 3rsp s GLU 111 Cb -0.10 0.51 0.00 0.00 0.10 0.00 0.00 34.13 34.64 3rsp s GLU 111 CO 0.08 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.22 3rsp n GLY 112 N -0.37 -1.86 2.57 -1.39 0.00 -1.26 -2.36 105.19 100.51 3rsp n GLY 112 Ca -0.11 -1.75 -0.28 0.00 0.00 0.00 0.00 46.02 43.88 3rsp n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3rsp s ASN 113 N -4.00 3.02 0.72 1.61 3.84 -1.26 -2.60 114.94 116.27 3rsp s ASN 113 Ca 0.00 -1.00 -0.15 0.00 0.21 0.00 0.00 52.86 51.92 3rsp s ASN 113 Cb 0.00 -0.30 0.03 0.00 -0.55 0.00 0.00 41.25 40.43 3rsp s ASN 113 CO 0.00 -0.40 1.19 -2.16 -2.79 0.00 0.00 177.10 172.94 3rsp s PRO 114 N 2.12 2.26 -0.54 0.43 0.04 -1.26 -5.09 135.00 132.96 3rsp s PRO 114 Ca 0.06 1.70 -0.28 0.00 0.04 0.00 0.00 61.00 62.52 3rsp s PRO 114 Cb -0.16 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.56 3rsp s PRO 114 CO -0.25 -1.73 1.14 -0.47 0.04 0.00 0.00 177.00 175.74 3rsp s TYR 115 N -2.03 2.70 0.27 0.56 5.04 -1.07 -4.90 117.35 117.91 3rsp s TYR 115 Ca 0.73 0.47 0.02 0.00 -2.44 0.00 0.00 57.07 55.85 3rsp s TYR 115 Cb -0.28 -4.44 -0.05 0.00 0.35 0.00 0.00 41.96 37.54 3rsp s TYR 115 CO 0.44 -1.45 0.06 0.14 -1.34 0.00 0.00 175.55 173.40 3rsp s VAL 116 N 4.68 0.84 0.24 3.14 -7.23 -1.00 -4.85 120.40 116.22 3rsp s VAL 116 Ca 0.43 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 58.30 3rsp s VAL 116 Cb -0.08 -2.59 -0.10 0.00 0.56 0.00 0.00 36.38 34.18 3rsp s VAL 116 CO 0.27 -0.10 1.38 -2.84 -0.31 0.00 0.00 175.10 173.50 3rsp s PRO 117 N -3.95 4.32 0.00 4.82 0.02 -1.26 -1.79 135.00 137.16 3rsp s PRO 117 Ca 0.35 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.57 3rsp s PRO 117 Cb 0.08 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.46 3rsp s PRO 117 CO 0.13 -0.33 0.00 1.33 -0.33 0.00 0.00 177.00 177.80 3rsp n VAL 118 N 2.24 0.00 -3.71 3.83 0.24 0.76 -4.60 118.33 117.10 3rsp n VAL 118 Ca 0.06 -0.14 -0.14 0.00 -2.04 0.00 0.00 64.34 62.08 3rsp n VAL 118 Cb 0.41 0.61 -0.08 0.00 -1.47 0.00 0.00 33.84 33.31 3rsp n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3rsp s HIS 119 N -1.15 -0.32 -0.39 6.34 5.65 -1.16 -4.74 115.29 119.53 3rsp s HIS 119 Ca 0.00 0.55 -0.14 0.00 0.25 0.00 0.00 55.06 55.72 3rsp s HIS 119 Cb 0.00 0.17 0.01 0.00 -1.18 0.00 0.00 32.58 31.58 3rsp s HIS 119 CO 0.00 -0.42 0.28 0.12 -0.65 0.00 0.00 174.74 174.07 3rsp s PHE 120 N -1.11 3.24 -0.17 3.88 2.19 -1.26 -1.81 117.98 122.93 3rsp s PHE 120 Ca -0.11 -0.49 -0.25 0.00 0.33 0.00 0.00 56.93 56.41 3rsp s PHE 120 Cb -0.04 -2.55 -0.22 0.00 -1.31 0.00 0.00 43.02 38.90 3rsp s PHE 120 CO 0.05 -0.52 0.48 0.22 1.83 0.00 0.00 175.22 177.28 3rsp h ASP 121 N 8.58 0.00 -5.74 6.13 3.58 -1.53 -3.49 116.42 123.95 3rsp h ASP 121 Ca -0.28 -0.74 0.30 0.00 0.42 0.00 0.00 57.03 56.73 3rsp h ASP 121 Cb 1.13 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.11 3rsp h ASP 121 CO 0.70 1.25 0.83 0.00 -2.88 0.00 0.00 179.24 179.13 3rsp s ALA 122 N -2.30 -2.25 0.09 -0.78 0.00 -1.17 -4.97 121.76 110.38 3rsp s ALA 122 Ca -0.24 0.07 0.05 0.00 0.00 0.00 0.00 51.96 51.84 3rsp s ALA 122 Cb 0.02 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 3rsp s ALA 122 CO 0.64 -1.12 -0.14 -1.54 0.00 0.00 0.00 175.76 173.60 3rsp s SER 123 N -3.58 1.74 0.00 0.00 1.04 -1.26 -0.75 113.70 110.88 3rsp s SER 123 Ca 0.25 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.99 3rsp s SER 123 Cb -0.00 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.07 3rsp s SER 123 CO -0.00 -0.11 0.12 1.33 0.98 0.00 0.00 173.24 175.55