#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8g n LEU 2 N 0.00 -5.04 -0.28 3.17 4.77 -1.26 -4.81 117.00 113.55 3i8g n LEU 2 Ca 0.00 0.52 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 3i8g n LEU 2 Cb 0.00 -2.29 0.38 0.00 -2.33 0.00 0.00 43.42 39.18 3i8g n LEU 2 CO 0.00 -1.62 1.22 0.71 -1.33 0.00 0.00 177.39 176.36 3i8g h THR 3 N 2.82 0.80 -2.44 -5.08 1.35 -2.06 -3.37 112.91 104.93 3i8g h THR 3 Ca -0.15 -0.23 -0.33 0.00 -0.55 0.00 0.00 66.41 65.15 3i8g h THR 3 Cb 0.88 0.06 -0.35 0.00 -1.73 0.00 0.00 68.15 67.01 3i8g h THR 3 CO 0.12 0.12 -0.63 -0.62 -0.25 0.00 0.00 175.52 174.26 3i8g s ASP 4 N -5.70 1.53 0.22 5.36 2.15 -1.26 -4.98 116.67 113.99 3i8g s ASP 4 Ca -0.10 -0.38 -0.09 0.00 0.43 0.00 0.00 52.55 52.41 3i8g s ASP 4 Cb 0.23 0.39 0.19 0.00 -0.30 0.00 0.00 42.92 43.43 3i8g s ASP 4 CO 0.79 -0.34 1.89 -0.65 -0.17 0.00 0.00 175.17 176.69 3i8g h PRO 5 N 8.30 1.08 0.82 4.34 0.11 -1.95 -2.36 132.00 142.35 3i8g h PRO 5 Ca -0.17 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.84 3i8g h PRO 5 Cb 1.13 -0.24 0.01 0.00 0.11 0.00 0.00 31.00 32.00 3i8g h PRO 5 CO 0.30 0.71 -0.39 0.82 -0.21 0.00 0.00 178.00 179.23 3i8g h ILE 6 N 1.11 0.18 -0.99 4.15 5.03 -1.96 -0.16 117.51 124.86 3i8g h ILE 6 Ca 0.31 -0.04 0.22 0.00 -0.12 0.00 0.00 64.86 65.23 3i8g h ILE 6 Cb -0.11 0.18 -0.10 0.00 -3.03 0.00 0.00 36.82 33.76 3i8g h ILE 6 CO -0.07 0.00 0.62 0.00 -0.68 0.00 0.00 178.15 178.02 3i8g h ALA 7 N -0.96 1.94 -0.11 1.87 0.00 -1.96 0.14 119.26 120.19 3i8g h ALA 7 Ca -0.11 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i8g h ALA 7 Cb 0.85 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3i8g h ALA 7 CO 0.18 -0.32 0.06 0.22 0.00 0.00 0.00 179.25 179.40 3i8g h ASP 8 N 0.58 0.14 0.16 0.00 3.58 -0.92 -2.27 116.42 117.68 3i8g h ASP 8 Ca 0.57 -0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.94 3i8g h ASP 8 Cb 1.15 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.16 3i8g h ASP 8 CO -0.33 0.17 -0.10 -0.03 -2.88 0.00 0.00 179.24 176.07 3i8g h MET 9 N 0.09 -0.25 -0.94 0.28 4.05 0.11 0.36 114.93 118.62 3i8g h MET 9 Ca 0.04 0.02 0.24 0.00 -0.28 0.00 0.00 59.70 59.72 3i8g h MET 9 Cb 0.06 0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 30.86 3i8g h MET 9 CO -0.01 -0.17 0.64 -0.07 0.23 0.00 0.00 176.91 177.54 3i8g h LEU 10 N -0.26 0.24 0.06 3.39 3.38 -1.04 -1.50 115.31 119.58 3i8g h LEU 10 Ca -0.01 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3i8g h LEU 10 Cb 0.22 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3i8g h LEU 10 CO 0.01 0.08 -0.53 0.74 0.09 0.00 0.00 178.44 178.83 3i8g h THR 11 N 0.24 1.55 -1.06 0.22 2.02 -0.64 -2.19 112.91 113.05 3i8g h THR 11 Ca 0.48 -2.41 0.38 0.00 0.77 0.00 0.00 66.41 65.63 3i8g h THR 11 Cb 1.49 3.17 -0.16 0.00 -1.74 0.00 0.00 68.15 70.91 3i8g h THR 11 CO -0.13 0.63 0.61 0.03 0.37 0.00 0.00 175.52 177.03 3i8g h ARG 12 N -0.71 0.16 0.40 6.66 3.08 0.66 0.45 114.38 125.07 3i8g h ARG 12 Ca -0.11 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 3i8g h ARG 12 Cb 1.32 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.34 3i8g h ARG 12 CO 0.04 0.11 -0.19 0.82 -1.07 0.00 0.00 179.97 179.67 3i8g h ILE 13 N 0.17 0.28 -0.24 2.04 2.04 -1.44 -2.78 117.51 117.58 3i8g h ILE 13 Ca 0.79 -0.64 0.07 0.00 1.00 0.00 0.00 64.86 66.07 3i8g h ILE 13 Cb 2.04 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 3i8g h ILE 13 CO -0.63 0.06 0.85 -0.09 0.00 0.00 0.00 178.15 178.34 3i8g h ARG 14 N -1.05 0.00 0.08 2.37 2.43 0.49 0.28 114.38 118.99 3i8g h ARG 14 Ca -0.06 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.74 3i8g h ARG 14 Cb 0.51 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 3i8g h ARG 14 CO 0.09 0.00 -2.14 0.09 -1.51 0.00 0.00 179.97 176.50 3i8g n ASN 15 N -2.83 2.00 0.34 -3.80 3.02 -0.38 -3.39 115.26 110.23 3i8g n ASN 15 Ca 0.05 0.11 -0.18 0.00 -0.03 0.00 0.00 54.58 54.53 3i8g n ASN 15 Cb 0.94 -0.67 -0.09 0.00 -0.61 0.00 0.00 39.78 39.35 3i8g n ASN 15 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i8g h ALA 16 N 0.10 -0.89 -0.89 5.41 0.00 -0.19 -2.50 119.26 120.31 3i8g h ALA 16 Ca -0.47 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.44 3i8g h ALA 16 Cb 2.00 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 20.11 3i8g h ALA 16 CO 0.04 -1.01 0.58 1.79 0.00 0.00 0.00 179.25 180.64 3i8g h THR 17 N -0.88 0.74 0.00 0.00 1.35 -1.57 -0.24 112.91 112.30 3i8g h THR 17 Ca -0.08 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3i8g h THR 17 Cb 0.70 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 3i8g h THR 17 CO 0.11 0.09 0.00 0.03 -0.25 0.00 0.00 175.52 175.50 3i8g h ARG 18 N 0.52 0.00 0.00 4.72 -0.00 -1.46 -1.81 114.38 116.35 3i8g h ARG 18 Ca 0.46 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.93 3i8g h ARG 18 Cb 0.98 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.94 3i8g h ARG 18 CO -0.19 0.00 -0.18 1.33 0.00 0.00 0.00 179.97 180.93 3i8g n VAL 19 N -2.52 1.42 -3.55 2.04 0.24 -0.21 -5.03 118.33 110.72 3i8g n VAL 19 Ca 0.00 -1.77 -0.30 0.00 -2.04 0.00 0.00 64.34 60.23 3i8g n VAL 19 Cb 0.17 -0.03 0.02 0.00 -1.47 0.00 0.00 33.84 32.53 3i8g n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3i8g n TYR 20 N -1.03 -2.53 -4.23 6.34 4.01 -0.58 -4.97 117.16 114.18 3i8g n TYR 20 Ca 0.12 1.05 -0.31 0.00 -0.16 0.00 0.00 57.90 58.60 3i8g n TYR 20 Cb 0.67 -2.39 -0.09 0.00 -0.31 0.00 0.00 39.34 37.22 3i8g n TYR 20 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3i8g s LYS 21 N -3.38 2.62 0.13 -0.72 2.20 -0.93 -5.00 119.74 114.65 3i8g s LYS 21 Ca 0.22 -0.75 -0.20 0.00 -0.36 0.00 0.00 55.97 54.89 3i8g s LYS 21 Cb -0.03 -2.57 -0.03 0.00 -1.51 0.00 0.00 37.83 33.69 3i8g s LYS 21 CO 0.87 0.58 1.72 1.49 -0.36 0.00 0.00 175.35 179.65 3i8g h GLU 22 N 3.92 0.06 -2.90 4.03 4.81 -1.93 -3.40 114.58 119.17 3i8g h GLU 22 Ca -0.48 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.79 3i8g h GLU 22 Cb 1.17 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.45 3i8g h GLU 22 CO 0.58 0.04 0.26 -1.54 -0.73 0.00 0.00 179.01 177.62 3i8g s SER 23 N -5.24 -0.40 -0.04 1.04 1.04 -1.26 -1.02 113.70 107.83 3i8g s SER 23 Ca -0.13 -0.28 -0.02 0.00 0.48 0.00 0.00 55.95 55.99 3i8g s SER 23 Cb 0.10 0.63 0.02 0.00 0.10 0.00 0.00 66.02 66.87 3i8g s SER 23 CO 0.69 -1.10 0.10 -0.89 0.98 0.00 0.00 173.24 173.02 3i8g s THR 24 N -3.74 -0.03 0.43 2.02 2.01 -0.49 -4.94 115.64 110.90 3i8g s THR 24 Ca 0.06 0.11 -0.02 0.00 0.31 0.00 0.00 61.69 62.15 3i8g s THR 24 Cb -0.03 -0.17 -0.03 0.00 0.01 0.00 0.00 72.50 72.29 3i8g s THR 24 CO -0.03 0.04 0.67 -1.81 -0.69 0.00 0.00 174.62 172.81 3i8g s ASP 25 N 0.65 6.14 -0.11 3.53 1.11 -1.26 -1.06 116.67 125.66 3i8g s ASP 25 Ca -0.05 0.59 -0.13 0.00 0.18 0.00 0.00 52.55 53.14 3i8g s ASP 25 Cb -0.07 -1.98 0.03 0.00 1.07 0.00 0.00 42.92 41.98 3i8g s ASP 25 CO -0.03 -0.52 0.35 0.54 1.18 0.00 0.00 175.17 176.69 3i8g s VAL 26 N -2.55 0.01 0.02 -1.27 0.11 -0.95 -4.90 120.40 110.87 3i8g s VAL 26 Ca 0.45 -0.08 -0.39 0.00 -2.93 0.00 0.00 61.98 59.03 3i8g s VAL 26 Cb -0.10 -0.52 -0.19 0.00 -1.53 0.00 0.00 36.38 34.05 3i8g s VAL 26 CO 0.40 -0.04 1.16 -2.65 -3.33 0.00 0.00 175.10 170.64 3i8g n PRO 27 N 2.63 0.35 -1.89 1.54 -0.02 -1.26 -0.30 135.00 136.04 3i8g n PRO 27 Ca -0.14 0.13 -0.42 0.00 -2.02 0.00 0.00 63.50 61.04 3i8g n PRO 27 Cb 0.57 -1.67 -0.03 0.00 -0.02 0.00 0.00 33.50 32.36 3i8g n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i8g s ALA 28 N 0.21 3.43 -0.05 3.55 0.00 0.18 -4.65 121.76 124.44 3i8g s ALA 28 Ca 0.89 0.93 -0.02 0.00 0.00 0.00 0.00 51.96 53.76 3i8g s ALA 28 Cb -1.18 -3.83 0.04 0.00 0.00 0.00 0.00 23.12 18.14 3i8g s ALA 28 CO 0.54 -1.72 0.10 0.45 0.00 0.00 0.00 175.76 175.13 3i8g s SER 29 N 4.39 0.07 0.00 0.00 0.15 -1.26 -4.93 113.70 112.13 3i8g s SER 29 Ca 0.80 0.18 -0.01 0.00 0.70 0.00 0.00 55.95 57.62 3i8g s SER 29 Cb -0.34 0.07 -0.00 0.00 -1.71 0.00 0.00 66.02 64.04 3i8g s SER 29 CO 0.33 -0.15 1.02 -0.09 1.20 0.00 0.00 173.24 175.55 3i8g h ARG 30 N 7.39 -0.02 -0.37 5.44 2.43 -2.00 0.32 114.38 127.56 3i8g h ARG 30 Ca -0.41 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 58.87 3i8g h ARG 30 Cb 1.13 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 3i8g h ARG 30 CO 0.42 -0.01 0.52 0.35 -1.51 0.00 0.00 179.97 179.74 3i8g h PHE 31 N -0.02 0.00 -0.21 2.20 3.57 -2.00 0.36 116.94 120.84 3i8g h PHE 31 Ca 0.00 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.31 3i8g h PHE 31 Cb 0.02 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.77 3i8g h PHE 31 CO -0.51 0.00 -0.63 0.87 -2.23 0.00 0.00 178.31 175.81 3i8g h LYS 32 N 0.00 0.75 0.05 1.11 1.57 -0.90 -3.12 116.57 116.03 3i8g h LYS 32 Ca 0.18 -0.52 -0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3i8g h LYS 32 Cb 1.22 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3i8g h LYS 32 CO -0.00 1.14 -0.02 0.93 -0.57 0.00 0.00 179.45 180.93 3i8g h GLU 33 N 0.55 -0.06 -0.06 3.15 5.08 0.21 -2.30 114.58 121.14 3i8g h GLU 33 Ca -0.01 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3i8g h GLU 33 Cb 1.23 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 3i8g h GLU 33 CO 0.13 0.03 0.16 0.93 -1.00 0.00 0.00 179.01 179.26 3i8g h GLU 34 N -0.14 0.00 0.00 2.33 4.39 -1.55 0.31 114.58 119.93 3i8g h GLU 34 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3i8g h GLU 34 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 3i8g h GLU 34 CO 0.01 0.00 -0.51 0.82 -1.16 0.00 0.00 179.01 178.17 3i8g h ILE 35 N 0.00 0.00 0.07 3.13 2.04 -1.35 -3.29 117.51 118.11 3i8g h ILE 35 Ca 0.03 -0.77 -0.37 0.00 1.00 0.00 0.00 64.86 64.74 3i8g h ILE 35 Cb 0.35 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 3i8g h ILE 35 CO -0.00 0.00 -2.16 0.18 0.00 0.00 0.00 178.15 176.17 3i8g n LEU 36 N -2.55 2.70 -0.34 1.44 4.77 0.75 -3.23 117.00 120.53 3i8g n LEU 36 Ca 0.03 0.10 0.22 0.00 -0.03 0.00 0.00 56.01 56.32 3i8g n LEU 36 Cb 0.50 -1.02 0.46 0.00 -2.33 0.00 0.00 43.42 41.02 3i8g n LEU 36 CO 0.36 0.85 1.17 0.08 -1.33 0.00 0.00 177.39 178.51 3i8g h ARG 37 N -0.05 0.41 0.06 3.23 0.11 -0.67 1.67 114.38 119.15 3i8g h ARG 37 Ca -0.49 -0.02 -0.24 0.00 0.10 0.00 0.00 59.98 59.33 3i8g h ARG 37 Cb 1.93 -0.09 -0.00 0.00 1.11 0.00 0.00 29.97 32.91 3i8g h ARG 37 CO -0.01 0.27 -1.08 0.82 0.10 0.00 0.00 179.97 180.07 3i8g h ILE 38 N 0.43 1.51 0.00 0.08 2.04 -1.72 -1.72 117.51 118.13 3i8g h ILE 38 Ca 0.68 -2.90 -0.03 0.00 1.00 0.00 0.00 64.86 63.60 3i8g h ILE 38 Cb 1.52 2.74 -0.00 0.00 -0.74 0.00 0.00 36.82 40.33 3i8g h ILE 38 CO -0.47 0.85 -0.13 0.25 0.00 0.00 0.00 178.15 178.64 3i8g h LEU 39 N 0.10 0.00 0.14 1.44 5.85 0.22 -2.74 115.31 120.32 3i8g h LEU 39 Ca -0.09 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.27 3i8g h LEU 39 Cb 1.77 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.79 3i8g h LEU 39 CO 0.17 0.13 -1.89 0.00 -0.34 0.00 0.00 178.44 176.51 3i8g h ALA 40 N 1.87 0.35 -0.02 1.25 0.00 -0.00 -1.72 119.26 120.98 3i8g h ALA 40 Ca -0.00 -1.31 0.01 0.00 0.00 0.00 0.00 54.91 53.61 3i8g h ALA 40 Cb 0.27 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3i8g h ALA 40 CO 0.02 1.22 0.13 -0.09 0.00 0.00 0.00 179.25 180.53 3i8g h ARG 41 N 0.08 0.00 -0.45 0.00 2.43 -1.03 0.98 114.38 116.40 3i8g h ARG 41 Ca -0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3i8g h ARG 41 Cb 2.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.61 3i8g h ARG 41 CO 0.12 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.97 3i8g n GLU 42 N -3.12 2.48 -0.26 0.20 -0.58 -1.06 -4.96 120.64 113.34 3i8g n GLU 42 Ca -0.02 -2.28 0.00 0.00 -0.42 0.00 0.00 57.16 54.43 3i8g n GLU 42 Cb 0.20 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 3i8g n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i8g n GLY 43 N 1.35 2.30 0.29 0.62 0.00 0.34 -4.87 105.19 105.22 3i8g n GLY 43 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 3i8g n GLY 43 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3i8g h PHE 44 N 0.00 0.00 -3.46 1.61 0.04 -1.50 -3.41 116.94 110.22 3i8g h PHE 44 Ca 0.00 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.63 3i8g h PHE 44 Cb 0.00 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 37.94 3i8g h PHE 44 CO 0.00 0.00 -0.47 0.96 -0.60 0.00 0.00 178.31 178.20 3i8g s ILE 45 N -3.88 0.08 -2.00 -0.55 -4.36 -1.19 -4.06 121.20 105.23 3i8g s ILE 45 Ca -0.02 -0.66 0.26 0.00 -0.26 0.00 0.00 60.65 59.96 3i8g s ILE 45 Cb 0.06 -0.45 0.74 0.00 1.25 0.00 0.00 42.46 44.07 3i8g s ILE 45 CO 0.20 -0.36 1.95 0.29 0.24 0.00 0.00 174.94 177.26 3i8g n LYS 46 N 1.45 0.91 0.00 0.37 5.02 -0.85 -4.60 118.16 120.46 3i8g n LYS 46 Ca -0.22 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 3i8g n LYS 46 Cb 0.56 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 3i8g n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i8g n GLY 47 N 0.78 0.41 0.70 0.72 0.00 -1.25 -4.95 105.19 101.59 3i8g n GLY 47 Ca 0.19 -2.21 -0.02 0.00 0.00 0.00 0.00 46.02 43.99 3i8g n GLY 47 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3i8g n TYR 48 N 2.21 -1.18 -3.62 1.61 0.18 -1.26 -1.35 117.16 113.75 3i8g n TYR 48 Ca 0.00 -0.36 -0.06 0.00 1.88 0.00 0.00 57.90 59.36 3i8g n TYR 48 Cb 0.00 0.17 -0.06 0.00 -0.38 0.00 0.00 39.34 39.07 3i8g n TYR 48 CO 0.00 0.00 0.00 -1.83 -2.08 0.00 0.00 176.86 172.95 3i8g s GLU 49 N -2.03 0.28 -0.79 -3.48 -1.05 -0.60 -4.96 118.70 106.06 3i8g s GLU 49 Ca 0.03 0.16 -0.25 0.00 -0.15 0.00 0.00 54.97 54.76 3i8g s GLU 49 Cb -0.01 0.13 -0.03 0.00 -0.44 0.00 0.00 34.13 33.78 3i8g s GLU 49 CO 0.02 -0.07 1.90 1.03 0.95 0.00 0.00 175.26 179.09 3i8g s ARG 50 N -0.61 2.60 0.16 -4.83 0.52 -1.26 -2.07 118.95 113.47 3i8g s ARG 50 Ca 0.05 0.04 0.03 0.00 -0.52 0.00 0.00 55.73 55.33 3i8g s ARG 50 Cb -0.02 -4.80 0.03 0.00 0.52 0.00 0.00 34.95 30.67 3i8g s ARG 50 CO -0.07 -3.10 0.22 1.33 0.02 0.00 0.00 175.30 173.70 3i8g n VAL 51 N 7.59 0.00 -3.93 3.52 0.24 -0.92 -4.99 118.33 119.85 3i8g n VAL 51 Ca 0.32 -0.55 -0.09 0.00 -2.04 0.00 0.00 64.34 61.98 3i8g n VAL 51 Cb 0.49 -0.83 -0.09 0.00 -1.47 0.00 0.00 33.84 31.94 3i8g n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i8g s ASP 52 N -2.00 0.20 -0.43 -1.34 2.15 -1.26 -2.57 116.67 111.41 3i8g s ASP 52 Ca 0.16 -0.59 0.05 0.00 0.43 0.00 0.00 52.55 52.60 3i8g s ASP 52 Cb -0.01 0.24 0.17 0.00 -0.30 0.00 0.00 42.92 43.02 3i8g s ASP 52 CO 0.10 -0.55 0.48 -0.69 -0.17 0.00 0.00 175.17 174.35 3i8g s VAL 53 N -2.90 -0.31 -0.75 1.11 1.01 -0.49 -4.90 120.40 113.16 3i8g s VAL 53 Ca -0.02 -1.61 -0.02 0.00 0.00 0.00 0.00 61.98 60.33 3i8g s VAL 53 Cb 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.73 3i8g s VAL 53 CO -0.06 -0.64 0.66 0.47 0.00 0.00 0.00 175.10 175.53 3i8g n ASP 54 N 3.29 -6.67 0.00 3.32 8.00 -1.26 -3.05 116.55 120.18 3i8g n ASP 54 Ca 0.21 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.33 3i8g n ASP 54 Cb 0.50 -3.89 0.00 0.00 -0.02 0.00 0.00 41.12 37.71 3i8g n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i8g n GLY 55 N -1.63 1.92 3.65 0.44 0.00 -1.26 -4.91 105.19 103.39 3i8g n GLY 55 Ca -0.12 -0.02 -0.59 0.00 0.00 0.00 0.00 46.02 45.29 3i8g n GLY 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i8g n LYS 56 N 0.00 0.80 -2.95 1.61 5.02 -1.17 -4.90 118.16 116.57 3i8g n LYS 56 Ca 0.00 0.28 -0.40 0.00 -2.02 0.00 0.00 58.31 56.17 3i8g n LYS 56 Cb 0.00 -1.96 -0.06 0.00 -0.02 0.00 0.00 35.03 32.99 3i8g n LYS 56 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3i8g s PRO 57 N 4.00 4.57 0.41 1.97 0.04 -1.26 -1.40 135.00 143.32 3i8g s PRO 57 Ca 1.03 1.16 0.05 0.00 0.04 0.00 0.00 61.00 63.28 3i8g s PRO 57 Cb -1.18 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 30.03 3i8g s PRO 57 CO 0.67 0.44 0.17 0.71 0.04 0.00 0.00 177.00 179.03 3i8g s TYR 58 N -0.66 1.78 -0.32 0.56 1.51 -1.06 -0.64 117.35 118.51 3i8g s TYR 58 Ca 0.38 -1.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.04 3i8g s TYR 58 Cb -0.22 -1.07 0.11 0.00 -0.11 0.00 0.00 41.96 40.66 3i8g s TYR 58 CO 0.26 -0.44 0.12 -0.51 -1.11 0.00 0.00 175.55 173.87 3i8g s LEU 59 N -3.59 2.07 0.08 -1.29 1.43 0.59 -2.16 118.68 115.81 3i8g s LEU 59 Ca 0.25 -1.74 -0.31 0.00 -1.03 0.00 0.00 54.13 51.30 3i8g s LEU 59 Cb 0.02 -0.81 -0.06 0.00 0.03 0.00 0.00 46.19 45.36 3i8g s LEU 59 CO 0.17 -0.40 1.29 -0.60 0.23 0.00 0.00 176.35 177.04 3i8g s ARG 60 N 1.50 4.38 -0.20 1.70 3.52 -0.88 -2.24 118.95 126.73 3i8g s ARG 60 Ca 0.11 1.90 0.01 0.00 -0.13 0.00 0.00 55.73 57.62 3i8g s ARG 60 Cb -0.18 -3.32 0.02 0.00 -1.56 0.00 0.00 34.95 29.91 3i8g s ARG 60 CO -0.22 -0.35 -0.17 0.08 -0.81 0.00 0.00 175.30 173.83 3i8g s VAL 61 N 1.17 2.26 -0.13 7.11 1.01 -0.23 -1.56 120.40 130.03 3i8g s VAL 61 Ca 0.61 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 61.43 3i8g s VAL 61 Cb -0.32 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 3i8g s VAL 61 CO 0.29 0.45 0.59 -0.31 0.00 0.00 0.00 175.10 176.12 3i8g s TYR 62 N 1.29 3.49 0.53 5.22 2.02 -0.46 -1.39 117.35 128.05 3i8g s TYR 62 Ca 0.04 1.00 -0.05 0.00 -0.37 0.00 0.00 57.07 57.69 3i8g s TYR 62 Cb -0.14 -2.70 -0.01 0.00 -0.40 0.00 0.00 41.96 38.71 3i8g s TYR 62 CO -0.11 0.04 0.83 -0.51 -1.57 0.00 0.00 175.55 174.23 3i8g s LEU 63 N 1.08 3.42 -0.03 -1.29 2.01 -0.19 -2.01 118.68 121.67 3i8g s LEU 63 Ca 0.30 0.71 0.04 0.00 0.01 0.00 0.00 54.13 55.19 3i8g s LEU 63 Cb -0.16 -3.58 -0.01 0.00 0.01 0.00 0.00 46.19 42.45 3i8g s LEU 63 CO 0.13 -0.86 -0.16 -0.75 1.01 0.00 0.00 176.35 175.72 3i8g s LYS 64 N -4.84 1.50 0.27 1.70 2.20 -1.26 -4.47 119.74 114.83 3i8g s LYS 64 Ca 0.51 -0.55 0.03 0.00 -0.36 0.00 0.00 55.97 55.59 3i8g s LYS 64 Cb -0.10 -1.36 -0.06 0.00 -1.51 0.00 0.00 37.83 34.80 3i8g s LYS 64 CO 0.44 0.26 0.05 0.71 -0.36 0.00 0.00 175.35 176.45 3i8g s TYR 65 N -0.09 1.68 0.70 4.03 1.51 -1.26 -3.81 117.35 120.11 3i8g s TYR 65 Ca -0.00 -1.03 -0.10 0.00 -1.01 0.00 0.00 57.07 54.93 3i8g s TYR 65 Cb -0.09 -1.02 0.02 0.00 -0.11 0.00 0.00 41.96 40.76 3i8g s TYR 65 CO 0.01 -0.14 1.06 0.20 -1.11 0.00 0.00 175.55 175.58 3i8g s GLY 66 N -3.36 1.62 0.44 0.71 0.00 -1.15 -4.86 107.32 100.72 3i8g s GLY 66 Ca 0.34 -0.49 -0.25 0.00 0.00 0.00 0.00 44.72 44.32 3i8g s GLY 66 CO 0.13 -0.12 1.36 2.56 0.00 0.00 0.00 173.10 177.03 3i8g s PRO 67 N -5.31 3.74 0.88 2.90 0.04 -1.26 -4.38 135.00 131.61 3i8g s PRO 67 Ca 0.58 2.27 -0.15 0.00 0.04 0.00 0.00 61.00 63.74 3i8g s PRO 67 Cb -0.11 -2.64 -0.05 0.00 0.04 0.00 0.00 34.50 31.74 3i8g s PRO 67 CO 0.50 -0.72 0.04 -2.13 0.04 0.00 0.00 177.00 174.72 3i8g n ARG 68 N -0.17 -0.05 -4.54 4.56 0.63 -1.26 -4.37 116.66 111.46 3i8g n ARG 68 Ca 0.05 0.01 -0.25 0.00 -0.92 0.00 0.00 57.85 56.75 3i8g n ARG 68 Cb 0.43 -1.54 -0.11 0.00 0.45 0.00 0.00 32.46 31.70 3i8g n ARG 68 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3i8g s ARG 69 N -2.77 1.80 0.62 -0.14 0.52 -0.87 -4.89 118.95 113.21 3i8g s ARG 69 Ca 0.54 -1.98 0.02 0.00 -0.52 0.00 0.00 55.73 53.78 3i8g s ARG 69 Cb -0.25 -1.37 0.08 0.00 0.52 0.00 0.00 34.95 33.93 3i8g s ARG 69 CO 0.70 -0.05 0.86 -0.65 0.02 0.00 0.00 175.30 176.18 3i8g s GLN 70 N -3.75 2.14 0.29 3.54 -1.52 -1.26 -4.57 119.66 114.54 3i8g s GLN 70 Ca 0.34 -1.08 0.00 0.00 -1.95 0.00 0.00 55.36 52.67 3i8g s GLN 70 Cb 0.08 -2.46 0.00 0.00 -0.22 0.00 0.00 33.01 30.41 3i8g s GLN 70 CO 0.16 -1.03 0.00 0.41 -0.25 0.00 0.00 175.29 174.58 3i8g n GLY 71 N -2.51 -2.11 3.74 3.09 0.00 -1.26 -4.60 105.19 101.54 3i8g n GLY 71 Ca 0.12 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.40 3i8g n GLY 71 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i8g s PRO 72 N -1.10 2.25 -1.02 1.61 0.02 -1.26 -3.52 135.00 131.98 3i8g s PRO 72 Ca 0.00 1.52 -0.13 0.00 0.02 0.00 0.00 61.00 62.41 3i8g s PRO 72 Cb 0.00 -1.87 -0.01 0.00 0.02 0.00 0.00 34.50 32.63 3i8g s PRO 72 CO 0.00 -1.70 0.77 -3.47 -0.33 0.00 0.00 177.00 172.27 3i8g n ASP 73 N -2.92 -5.90 -0.00 2.53 4.64 -1.26 -4.81 116.55 108.83 3i8g n ASP 73 Ca 0.11 -0.80 0.00 0.00 -1.38 0.00 0.00 54.79 52.72 3i8g n ASP 73 Cb 0.51 -3.74 0.00 0.00 -1.04 0.00 0.00 41.12 36.85 3i8g n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 3i8g n PRO 74 N -3.43 0.73 -1.72 -0.67 -0.04 -1.23 -4.84 135.00 123.79 3i8g n PRO 74 Ca -0.10 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.94 3i8g n PRO 74 Cb 0.59 -1.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.02 3i8g n PRO 74 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3i8g s ARG 75 N -2.00 4.13 0.92 0.54 0.52 -1.26 -2.05 118.95 119.74 3i8g s ARG 75 Ca 0.00 2.61 -0.12 0.00 -0.52 0.00 0.00 55.73 57.69 3i8g s ARG 75 Cb 0.00 -3.30 0.19 0.00 0.52 0.00 0.00 34.95 32.36 3i8g s ARG 75 CO 0.00 -0.79 0.44 -0.35 0.02 0.00 0.00 175.30 174.61 3i8g n PRO 76 N 4.74 -1.88 -0.31 3.54 -0.04 -1.26 -4.67 135.00 135.11 3i8g n PRO 76 Ca 0.17 -0.74 0.00 0.00 -0.04 0.00 0.00 63.50 62.89 3i8g n PRO 76 Cb 0.36 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 3i8g n PRO 76 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3i8g n GLU 77 N -2.14 1.08 -4.07 0.54 2.13 -1.26 -4.91 120.64 112.02 3i8g n GLU 77 Ca 0.07 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.73 3i8g n GLU 77 Cb 0.30 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.87 3i8g n GLU 77 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3i8g s GLN 78 N -0.96 0.35 0.46 5.31 -0.21 -1.26 -2.92 119.66 120.43 3i8g s GLN 78 Ca 0.00 -0.10 0.31 0.00 0.02 0.00 0.00 55.36 55.59 3i8g s GLN 78 Cb 0.00 -0.38 1.37 0.00 1.00 0.00 0.00 33.01 35.00 3i8g s GLN 78 CO 0.00 0.04 1.92 0.28 -2.12 0.00 0.00 175.29 175.41 3i8g h VAL 79 N 5.33 0.00 -2.94 1.09 2.07 -1.89 -3.33 116.25 116.57 3i8g h VAL 79 Ca -0.31 -0.32 -0.61 0.00 0.82 0.00 0.00 66.70 66.29 3i8g h VAL 79 Cb 1.18 1.19 -0.40 0.00 -1.52 0.00 0.00 31.29 31.74 3i8g h VAL 79 CO 0.50 0.00 -0.75 -0.63 0.02 0.00 0.00 177.57 176.71 3i8g s ILE 80 N -3.61 1.29 -0.23 4.57 1.01 -1.26 -4.79 121.20 118.18 3i8g s ILE 80 Ca 0.01 -2.50 0.19 0.00 0.00 0.00 0.00 60.65 58.35 3i8g s ILE 80 Cb 0.09 -1.91 0.08 0.00 0.01 0.00 0.00 42.46 40.73 3i8g s ILE 80 CO 0.45 -0.91 1.28 0.45 0.00 0.00 0.00 174.94 176.21 3i8g h HIS 81 N 6.73 0.00 -1.09 3.97 3.86 -1.03 -3.45 115.15 124.13 3i8g h HIS 81 Ca 0.00 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.26 3i8g h HIS 81 Cb 0.93 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 29.18 3i8g h HIS 81 CO 0.48 0.30 -0.31 -1.58 0.86 0.00 0.00 177.93 177.67 3i8g s HIS 82 N -3.09 -1.58 -0.13 2.45 5.65 0.35 -5.04 115.29 113.91 3i8g s HIS 82 Ca 0.02 1.49 0.02 0.00 0.25 0.00 0.00 55.06 56.84 3i8g s HIS 82 Cb 0.08 0.46 -0.00 0.00 -1.18 0.00 0.00 32.58 31.93 3i8g s HIS 82 CO 0.75 -0.91 -0.18 -1.50 -0.65 0.00 0.00 174.74 172.25 3i8g s ILE 83 N 2.82 2.50 -0.06 0.89 2.07 -1.26 -1.94 121.20 126.22 3i8g s ILE 83 Ca 0.18 -0.85 -0.10 0.00 -1.41 0.00 0.00 60.65 58.47 3i8g s ILE 83 Cb -0.14 -2.02 0.02 0.00 0.13 0.00 0.00 42.46 40.45 3i8g s ILE 83 CO -0.22 0.54 0.25 -0.60 -1.91 0.00 0.00 174.94 173.00 3i8g s ARG 84 N 0.54 0.45 0.18 3.50 3.52 -0.54 -4.98 118.95 121.62 3i8g s ARG 84 Ca -0.11 0.06 -0.20 0.00 -0.13 0.00 0.00 55.73 55.34 3i8g s ARG 84 Cb -0.16 0.20 -0.08 0.00 -1.56 0.00 0.00 34.95 33.35 3i8g s ARG 84 CO 0.04 -0.09 0.70 0.50 -0.81 0.00 0.00 175.30 175.63 3i8g s ARG 85 N -0.57 4.30 0.00 5.12 3.52 -1.26 -1.59 118.95 128.46 3i8g s ARG 85 Ca -0.07 0.89 0.00 0.00 -0.13 0.00 0.00 55.73 56.42 3i8g s ARG 85 Cb -0.04 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.32 3i8g s ARG 85 CO 0.02 0.48 0.00 -0.89 -0.81 0.00 0.00 175.30 174.10 3i8g n ILE 86 N 1.10 0.00 -1.70 4.11 2.08 -0.86 -4.89 119.36 119.20 3i8g n ILE 86 Ca -0.05 0.12 -0.42 0.00 0.56 0.00 0.00 62.75 62.97 3i8g n ILE 86 Cb 0.50 -0.99 -0.03 0.00 -0.75 0.00 0.00 39.64 38.38 3i8g n ILE 86 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 3i8g s SER 87 N -2.15 5.34 0.37 4.38 0.15 -0.65 -4.91 113.70 116.24 3i8g s SER 87 Ca 0.00 1.55 0.07 0.00 0.70 0.00 0.00 55.95 58.27 3i8g s SER 87 Cb 0.00 -2.51 -0.02 0.00 -1.71 0.00 0.00 66.02 61.78 3i8g s SER 87 CO 0.00 -2.10 0.37 -0.54 1.20 0.00 0.00 173.24 172.16 3i8g s LYS 88 N 6.61 2.71 0.02 5.44 1.02 -1.15 -4.86 119.74 129.51 3i8g s LYS 88 Ca 0.94 -1.34 0.19 0.00 0.02 0.00 0.00 55.97 55.78 3i8g s LYS 88 Cb -0.27 -2.50 0.81 0.00 -0.52 0.00 0.00 37.83 35.34 3i8g s LYS 88 CO 0.32 -0.04 1.61 -0.35 -0.92 0.00 0.00 175.35 175.97 3i8g n PRO 89 N -1.50 0.02 -0.44 -1.68 -0.04 -1.26 -2.50 135.00 127.59 3i8g n PRO 89 Ca 0.01 0.19 0.09 0.00 -0.04 0.00 0.00 63.50 63.76 3i8g n PRO 89 Cb 0.60 -1.53 0.30 0.00 -0.04 0.00 0.00 33.50 32.83 3i8g n PRO 89 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i8g n GLY 90 N 0.43 2.79 0.00 0.55 0.00 -1.26 -4.73 105.19 102.97 3i8g n GLY 90 Ca 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3i8g n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i8g n ARG 91 N 1.02 0.00 -0.59 1.61 0.63 -1.04 -5.16 116.66 113.13 3i8g n ARG 91 Ca 0.22 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.86 3i8g n ARG 91 Cb 0.71 0.00 0.24 0.00 0.45 0.00 0.00 32.46 33.86 3i8g n ARG 91 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3i8g s ARG 92 N 0.00 -0.69 -0.11 -0.14 1.81 -1.04 -2.94 118.95 115.84 3i8g s ARG 92 Ca 0.00 0.90 -0.06 0.00 -1.72 0.00 0.00 55.73 54.85 3i8g s ARG 92 Cb 0.00 -1.58 0.04 0.00 -0.45 0.00 0.00 34.95 32.97 3i8g s ARG 92 CO 0.00 -3.59 0.26 0.08 -0.68 0.00 0.00 175.30 171.37 3i8g s VAL 93 N -2.50 -0.03 -0.06 3.52 1.01 -1.26 -4.82 120.40 116.26 3i8g s VAL 93 Ca 0.68 0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.77 3i8g s VAL 93 Cb -0.24 -0.38 0.02 0.00 0.00 0.00 0.00 36.38 35.77 3i8g s VAL 93 CO 0.64 0.04 -0.03 -0.31 0.00 0.00 0.00 175.10 175.44 3i8g s TYR 94 N 0.97 0.79 -0.08 5.22 2.02 -1.26 -2.51 117.35 122.50 3i8g s TYR 94 Ca -0.07 -0.24 0.01 0.00 -0.37 0.00 0.00 57.07 56.40 3i8g s TYR 94 Cb -0.08 -0.78 -0.03 0.00 -0.40 0.00 0.00 41.96 40.68 3i8g s TYR 94 CO -0.06 -0.28 -0.10 0.14 -1.57 0.00 0.00 175.55 173.67 3i8g s VAL 95 N 1.44 3.40 0.58 0.71 -7.23 -0.01 -4.92 120.40 114.37 3i8g s VAL 95 Ca -0.03 -0.58 -0.11 0.00 -1.81 0.00 0.00 61.98 59.45 3i8g s VAL 95 Cb -0.13 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 34.37 3i8g s VAL 95 CO -0.03 0.57 0.99 -0.83 -0.31 0.00 0.00 175.10 175.49 3i8g s GLY 96 N -0.47 1.72 0.44 2.32 0.00 -1.26 -1.63 107.32 108.44 3i8g s GLY 96 Ca 0.06 -0.10 0.22 0.00 0.00 0.00 0.00 44.72 44.91 3i8g s GLY 96 CO 0.02 0.16 1.84 -0.24 0.00 0.00 0.00 173.10 174.88 3i8g h VAL 97 N -0.02 0.60 0.00 1.40 3.04 -1.92 0.17 116.25 119.53 3i8g h VAL 97 Ca -0.45 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 3i8g h VAL 97 Cb 1.19 0.27 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 3i8g h VAL 97 CO 0.62 0.05 0.00 0.11 -1.01 0.00 0.00 177.57 177.34 3i8g h LYS 98 N 0.30 0.00 0.00 4.17 1.57 -1.91 -3.37 116.57 117.32 3i8g h LYS 98 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 3i8g h LYS 98 Cb 1.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.74 3i8g h LYS 98 CO -0.16 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.11 3i8g n GLU 99 N -2.90 0.00 -3.53 3.15 4.71 0.60 -5.00 120.64 117.67 3i8g n GLU 99 Ca -0.01 0.00 -0.26 0.00 -0.01 0.00 0.00 57.16 56.88 3i8g n GLU 99 Cb 0.17 0.00 0.02 0.00 -1.01 0.00 0.00 31.44 30.62 3i8g n GLU 99 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 3i8g n ILE 100 N 0.00 -4.98 -0.47 -3.67 5.41 -1.22 -4.86 119.36 109.56 3i8g n ILE 100 Ca 0.00 0.08 -0.17 0.00 1.00 0.00 0.00 62.75 63.66 3i8g n ILE 100 Cb 0.00 -3.98 0.02 0.00 -0.71 0.00 0.00 39.64 34.97 3i8g n ILE 100 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3i8g n PRO 101 N -1.43 0.00 -3.25 0.38 -0.02 -1.26 -4.87 135.00 124.55 3i8g n PRO 101 Ca -0.16 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.91 3i8g n PRO 101 Cb 0.65 -0.47 -0.02 0.00 -0.02 0.00 0.00 33.50 33.64 3i8g n PRO 101 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i8g n ARG 102 N 1.18 3.71 -1.52 -0.52 1.74 -1.26 -4.97 116.66 115.02 3i8g n ARG 102 Ca -0.01 -4.53 -0.21 0.00 -0.77 0.00 0.00 57.85 52.32 3i8g n ARG 102 Cb 0.28 -2.48 -0.17 0.00 -1.02 0.00 0.00 32.46 29.08 3i8g n ARG 102 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i8g n VAL 103 N 1.79 -0.00 -2.66 1.55 0.31 -1.26 -3.45 118.33 114.61 3i8g n VAL 103 Ca 0.25 -0.47 -0.05 0.00 -0.01 0.00 0.00 64.34 64.06 3i8g n VAL 103 Cb 0.36 -0.78 -0.04 0.00 -0.91 0.00 0.00 33.84 32.47 3i8g n VAL 103 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i8g n ARG 104 N 6.91 -4.26 -0.01 5.55 3.00 -1.26 -1.89 116.66 124.70 3i8g n ARG 104 Ca 0.60 3.23 0.00 0.00 -0.00 0.00 0.00 57.85 61.68 3i8g n ARG 104 Cb 0.24 -4.61 0.00 0.00 0.00 0.00 0.00 32.46 28.09 3i8g n ARG 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3i8g n ARG 105 N 1.81 0.00 0.00 -0.14 5.12 -1.22 -0.62 116.66 121.60 3i8g n ARG 105 Ca -0.38 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.54 3i8g n ARG 105 Cb 0.59 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.89 3i8g n ARG 105 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i8g n GLY 106 N -0.00 0.87 0.13 -0.13 0.00 -1.25 -4.76 105.19 100.03 3i8g n GLY 106 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3i8g n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i8g n LEU 107 N 0.00 -0.32 0.00 0.99 4.77 0.20 -4.66 117.00 117.99 3i8g n LEU 107 Ca 0.00 0.97 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 3i8g n LEU 107 Cb 0.00 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3i8g n LEU 107 CO 0.00 -0.65 0.00 0.61 -1.33 0.00 0.00 177.39 176.02 3i8g n GLY 108 N -1.08 -3.16 3.38 -0.72 0.00 -0.79 -5.05 105.19 97.77 3i8g n GLY 108 Ca 0.01 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 3i8g n GLY 108 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i8g s ILE 109 N 0.00 0.03 -0.25 -0.61 2.07 -0.31 -4.95 121.20 117.18 3i8g s ILE 109 Ca 0.00 -0.35 -0.02 0.00 -1.41 0.00 0.00 60.65 58.88 3i8g s ILE 109 Cb 0.00 -1.14 0.13 0.00 0.13 0.00 0.00 42.46 41.58 3i8g s ILE 109 CO 0.00 -0.16 0.32 0.00 -1.91 0.00 0.00 174.94 173.19 3i8g s ALA 110 N -3.79 -0.71 0.17 1.50 0.00 -1.26 -0.96 121.76 116.71 3i8g s ALA 110 Ca 0.03 0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.96 3i8g s ALA 110 Cb 0.00 -1.69 -0.07 0.00 0.00 0.00 0.00 23.12 21.36 3i8g s ALA 110 CO -0.11 -1.46 0.97 0.42 0.00 0.00 0.00 175.76 175.58 3i8g s ILE 111 N 2.44 4.25 -0.04 0.00 1.01 0.18 -1.83 121.20 127.20 3i8g s ILE 111 Ca 0.10 2.02 -0.13 0.00 0.00 0.00 0.00 60.65 62.64 3i8g s ILE 111 Cb -0.15 -4.29 0.02 0.00 0.01 0.00 0.00 42.46 38.06 3i8g s ILE 111 CO -0.22 0.38 0.30 -1.48 0.00 0.00 0.00 174.94 173.92 3i8g s LEU 112 N -0.52 0.89 -0.16 2.97 0.05 -0.24 -0.88 118.68 120.79 3i8g s LEU 112 Ca 0.45 0.23 -0.22 0.00 0.05 0.00 0.00 54.13 54.64 3i8g s LEU 112 Cb -0.25 1.17 -0.03 0.00 -2.05 0.00 0.00 46.19 45.03 3i8g s LEU 112 CO 0.31 -0.34 0.69 -0.55 -0.55 0.00 0.00 176.35 175.91 3i8g s SER 113 N -0.88 6.82 0.34 1.48 0.15 -0.82 -1.34 113.70 119.45 3i8g s SER 113 Ca -0.10 1.00 0.09 0.00 0.70 0.00 0.00 55.95 57.64 3i8g s SER 113 Cb -0.05 -2.39 -0.07 0.00 -1.71 0.00 0.00 66.02 61.81 3i8g s SER 113 CO 0.03 -0.26 -0.09 0.42 1.20 0.00 0.00 173.24 174.54 3i8g s THR 114 N 1.66 2.18 -1.04 6.45 -4.23 0.16 -0.90 115.64 119.93 3i8g s THR 114 Ca 0.33 -2.19 0.11 0.00 -1.18 0.00 0.00 61.69 58.76 3i8g s THR 114 Cb -0.16 -2.66 0.10 0.00 1.34 0.00 0.00 72.50 71.12 3i8g s THR 114 CO 0.13 -0.20 1.35 -1.54 -0.54 0.00 0.00 174.62 173.82 3i8g n SER 115 N -0.79 0.00 -0.62 3.99 3.41 -1.26 -0.34 113.62 118.00 3i8g n SER 115 Ca -0.05 0.46 0.10 0.00 -0.26 0.00 0.00 58.87 59.12 3i8g n SER 115 Cb 0.64 -0.48 0.04 0.00 -0.26 0.00 0.00 64.21 64.15 3i8g n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3i8g n LYS 116 N -1.48 1.64 0.00 4.33 5.02 -1.26 -5.08 118.16 121.33 3i8g n LYS 116 Ca 0.03 -1.29 0.00 0.00 -2.02 0.00 0.00 58.31 55.03 3i8g n LYS 116 Cb 0.13 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 3i8g n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i8g n GLY 117 N 1.25 0.65 3.59 0.72 0.00 0.53 -4.98 105.19 106.95 3i8g n GLY 117 Ca 0.10 -2.25 -0.43 0.00 0.00 0.00 0.00 46.02 43.45 3i8g n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8g s VAL 118 N -0.71 4.54 0.43 1.61 1.01 -1.26 0.37 120.40 126.38 3i8g s VAL 118 Ca 0.00 0.99 0.02 0.00 0.00 0.00 0.00 61.98 62.99 3i8g s VAL 118 Cb 0.00 -4.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 3i8g s VAL 118 CO 0.00 -0.66 0.08 0.18 0.00 0.00 0.00 175.10 174.70 3i8g n LEU 119 N 6.94 0.00 -4.62 3.92 4.77 -0.45 -4.95 117.00 122.61 3i8g n LEU 119 Ca 0.07 -2.98 -0.23 0.00 -0.03 0.00 0.00 56.01 52.83 3i8g n LEU 119 Cb 0.48 0.71 -0.08 0.00 -2.33 0.00 0.00 43.42 42.21 3i8g n LEU 119 CO 0.61 -0.44 -0.35 0.42 -1.33 0.00 0.00 177.39 176.29 3i8g s THR 120 N -2.89 3.31 0.31 -5.08 -4.23 -1.26 -1.08 115.64 104.72 3i8g s THR 120 Ca 0.11 -1.98 0.09 0.00 -1.18 0.00 0.00 61.69 58.74 3i8g s THR 120 Cb 0.01 -2.77 0.37 0.00 1.34 0.00 0.00 72.50 71.45 3i8g s THR 120 CO 0.08 -0.37 1.47 -0.90 -0.54 0.00 0.00 174.62 174.35 3i8g n ASP 121 N -0.84 0.06 -0.06 3.99 5.75 -0.76 0.11 116.55 124.80 3i8g n ASP 121 Ca -0.06 1.57 -0.13 0.00 -0.01 0.00 0.00 54.79 56.16 3i8g n ASP 121 Cb 0.59 -0.65 -0.07 0.00 -1.03 0.00 0.00 41.12 39.96 3i8g n ASP 121 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 3i8g h ARG 122 N 0.00 0.37 0.44 0.11 3.08 -1.95 -2.98 114.38 113.46 3i8g h ARG 122 Ca 0.66 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.50 3i8g h ARG 122 Cb 1.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.59 3i8g h ARG 122 CO -0.81 0.73 -0.21 0.93 -1.07 0.00 0.00 179.97 179.53 3i8g h GLU 123 N 0.01 -0.57 -0.91 0.04 5.08 -0.71 -2.36 114.58 115.16 3i8g h GLU 123 Ca 0.03 0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.54 3i8g h GLU 123 Cb 0.65 0.13 -0.13 0.00 0.50 0.00 0.00 28.75 29.90 3i8g h GLU 123 CO 0.03 -0.38 -0.48 0.00 -1.00 0.00 0.00 179.01 177.18 3i8g h ALA 124 N -1.61 -0.22 -0.87 3.43 0.00 -1.30 0.85 119.26 119.54 3i8g h ALA 124 Ca -0.06 0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.22 3i8g h ALA 124 Cb 0.46 1.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.33 3i8g h ALA 124 CO 0.10 -0.80 0.58 0.00 0.00 0.00 0.00 179.25 179.12 3i8g h ARG 125 N -0.05 0.41 0.79 0.00 3.08 -1.58 1.44 114.38 118.47 3i8g h ARG 125 Ca 0.24 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.23 3i8g h ARG 125 Cb 0.52 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.49 3i8g h ARG 125 CO -0.91 0.27 -0.38 -0.22 -1.07 0.00 0.00 179.97 177.66 3i8g h LYS 126 N 0.42 -1.02 0.00 0.04 3.64 0.12 -1.99 116.57 117.78 3i8g h LYS 126 Ca 0.45 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 3i8g h LYS 126 Cb 1.09 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 3i8g h LYS 126 CO -0.17 -0.68 0.00 1.28 -2.27 0.00 0.00 179.45 177.62 3i8g n LEU 127 N -5.48 0.00 -3.35 5.20 7.99 -0.37 -4.89 117.00 116.08 3i8g n LEU 127 Ca -0.13 0.12 -0.15 0.00 -0.01 0.00 0.00 56.01 55.83 3i8g n LEU 127 Cb 0.42 -0.12 0.03 0.00 -0.11 0.00 0.00 43.42 43.64 3i8g n LEU 127 CO 0.33 -0.05 0.08 0.61 -1.51 0.00 0.00 177.39 176.84 3i8g n GLY 128 N 0.15 -1.16 3.13 -0.72 0.00 0.48 -5.04 105.19 102.03 3i8g n GLY 128 Ca 0.11 0.52 -0.09 0.00 0.00 0.00 0.00 46.02 46.56 3i8g n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i8g s VAL 129 N -3.24 0.46 0.00 1.61 -7.23 -0.56 -4.91 120.40 106.52 3i8g s VAL 129 Ca 0.27 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 3i8g s VAL 129 Cb -0.06 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.27 3i8g s VAL 129 CO 0.79 -0.93 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 3i8g n GLY 130 N 0.03 2.95 0.00 2.32 0.00 -1.26 -4.04 105.19 105.19 3i8g n GLY 130 Ca -0.13 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.08 3i8g n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8g n GLY 131 N 5.00 0.99 3.55 -0.02 0.00 -0.65 -4.27 105.19 109.79 3i8g n GLY 131 Ca 0.00 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 3i8g n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i8g s GLU 132 N -2.00 3.51 -0.96 1.61 2.12 -0.07 -0.83 118.70 122.08 3i8g s GLU 132 Ca 0.00 -0.00 -0.26 0.00 0.36 0.00 0.00 54.97 55.07 3i8g s GLU 132 Cb 0.00 -3.89 -0.18 0.00 0.26 0.00 0.00 34.13 30.31 3i8g s GLU 132 CO 0.00 -1.01 2.23 -1.17 -0.54 0.00 0.00 175.26 174.77 3i8g s LEU 133 N 3.16 2.60 0.09 2.70 0.20 -1.04 -1.95 118.68 124.43 3i8g s LEU 133 Ca 0.29 -0.57 -0.27 0.00 0.69 0.00 0.00 54.13 54.27 3i8g s LEU 133 Cb -0.13 -2.58 -0.16 0.00 -0.43 0.00 0.00 46.19 42.90 3i8g s LEU 133 CO 0.20 -4.32 1.68 0.40 -0.29 0.00 0.00 176.35 174.03 3i8g h ILE 134 N 7.11 0.67 -1.50 6.68 1.08 -1.75 -1.73 117.51 128.07 3i8g h ILE 134 Ca 0.02 0.00 0.30 0.00 -0.39 0.00 0.00 64.86 64.78 3i8g h ILE 134 Cb 1.00 0.67 -0.14 0.00 -3.07 0.00 0.00 36.82 35.28 3i8g h ILE 134 CO 1.02 0.00 0.80 0.00 -0.69 0.00 0.00 178.15 179.29 3i8g s GLU 136 N -2.47 1.76 -0.04 0.00 -1.05 -0.62 0.48 118.70 116.76 3i8g s GLU 136 Ca 0.13 -1.16 -0.05 0.00 -0.15 0.00 0.00 54.97 53.74 3i8g s GLU 136 Cb 0.03 -2.04 0.01 0.00 -0.44 0.00 0.00 34.13 31.69 3i8g s GLU 136 CO -0.04 0.50 0.14 0.08 0.95 0.00 0.00 175.26 176.89 3i8g s VAL 137 N -0.98 0.03 0.00 1.83 1.01 -0.14 -1.46 120.40 120.69 3i8g s VAL 137 Ca 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3i8g s VAL 137 Cb -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.01 3i8g s VAL 137 CO 0.06 -0.11 0.00 -2.67 0.00 0.00 0.00 175.10 172.37