#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifv s LYS 3 N 0.00 0.60 0.06 -4.13 2.47 -0.42 -2.04 119.74 116.29 3ifv s LYS 3 Ca 0.00 0.80 -0.18 0.00 -1.56 0.00 0.00 55.97 55.04 3ifv s LYS 3 Cb 0.00 0.24 0.04 0.00 -1.46 0.00 0.00 37.83 36.65 3ifv s LYS 3 CO 0.00 -0.09 0.41 0.00 0.16 0.00 0.00 175.35 175.82 3ifv s ALA 4 N 0.57 -0.99 -0.07 3.13 0.00 0.10 -1.20 121.76 123.31 3ifv s ALA 4 Ca -0.02 0.22 -0.01 0.00 0.00 0.00 0.00 51.96 52.14 3ifv s ALA 4 Cb -0.05 0.43 0.03 0.00 0.00 0.00 0.00 23.12 23.53 3ifv s ALA 4 CO -0.03 -0.50 -0.01 0.42 0.00 0.00 0.00 175.76 175.64 3ifv s ILE 5 N -2.81 0.45 0.02 0.00 1.01 0.20 0.33 121.20 120.40 3ifv s ILE 5 Ca -0.03 0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.70 3ifv s ILE 5 Cb -0.00 -0.59 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 3ifv s ILE 5 CO -0.05 0.27 -0.05 0.54 0.00 0.00 0.00 174.94 175.65 3ifv s VAL 6 N 1.90 0.35 0.36 2.92 0.11 -0.81 0.36 120.40 125.59 3ifv s VAL 6 Ca 0.04 -0.63 -0.28 0.00 -2.93 0.00 0.00 61.98 58.18 3ifv s VAL 6 Cb -0.12 -0.38 -0.11 0.00 -1.53 0.00 0.00 36.38 34.23 3ifv s VAL 6 CO -0.05 -0.19 1.51 -0.55 -3.33 0.00 0.00 175.10 172.49 3ifv s SER 7 N -0.89 6.33 0.14 3.54 0.15 -1.26 -1.00 113.70 120.72 3ifv s SER 7 Ca -0.06 3.05 -0.27 0.00 0.70 0.00 0.00 55.95 59.37 3ifv s SER 7 Cb -0.06 -2.66 -0.02 0.00 -1.71 0.00 0.00 66.02 61.57 3ifv s SER 7 CO -0.00 -0.89 1.59 0.00 1.20 0.00 0.00 173.24 175.14 3ifv h ALA 8 N 3.36 -0.42 -0.81 5.45 0.00 -1.74 -2.20 119.26 122.89 3ifv h ALA 8 Ca -0.50 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.48 3ifv h ALA 8 Cb 1.24 0.72 -0.05 0.00 0.00 0.00 0.00 17.79 19.70 3ifv h ALA 8 CO 0.67 -0.84 0.51 0.00 0.00 0.00 0.00 179.25 179.59 3ifv h ALA 9 N 0.37 1.08 0.24 0.00 0.00 -1.93 -2.26 119.26 116.76 3ifv h ALA 9 Ca 0.11 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3ifv h ALA 9 Cb 0.58 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3ifv h ALA 9 CO -0.43 0.30 -0.42 1.15 0.00 0.00 0.00 179.25 179.85 3ifv h THR 10 N 0.97 0.15 -0.56 0.00 2.02 -1.84 -1.10 112.91 112.55 3ifv h THR 10 Ca 0.33 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.43 3ifv h THR 10 Cb 0.06 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.60 3ifv h THR 10 CO -0.13 0.00 0.02 0.25 0.37 0.00 0.00 175.52 176.03 3ifv h LEU 11 N -0.73 0.91 -0.45 2.58 5.85 -1.35 -0.64 115.31 121.47 3ifv h LEU 11 Ca -0.00 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.40 3ifv h LEU 11 Cb 0.71 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3ifv h LEU 11 CO -0.17 0.95 -0.04 0.03 -0.34 0.00 0.00 178.44 178.87 3ifv h ARG 12 N 0.87 0.83 -0.16 1.25 3.08 -1.35 0.61 114.38 119.51 3ifv h ARG 12 Ca 0.17 -0.28 0.03 0.00 0.07 0.00 0.00 59.98 59.96 3ifv h ARG 12 Cb 0.48 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 3ifv h ARG 12 CO 0.02 0.90 -0.03 -0.44 -1.07 0.00 0.00 179.97 179.35 3ifv h ASP 13 N 0.67 -0.13 -0.07 7.04 3.32 -1.05 0.41 116.42 126.60 3ifv h ASP 13 Ca 0.12 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.23 3ifv h ASP 13 Cb 0.55 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 3ifv h ASP 13 CO 0.03 -0.05 0.02 0.00 -1.72 0.00 0.00 179.24 177.52 3ifv h ALA 14 N 1.16 0.07 -0.03 3.45 0.00 -0.92 -2.80 119.26 120.20 3ifv h ALA 14 Ca 0.08 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 3ifv h ALA 14 Cb 0.11 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3ifv h ALA 14 CO -0.16 -0.45 -0.69 -0.07 0.00 0.00 0.00 179.25 177.88 3ifv h LEU 15 N 0.05 0.16 -0.64 0.00 3.38 -0.83 -2.84 115.31 114.59 3ifv h LEU 15 Ca 0.03 -0.10 0.13 0.00 0.09 0.00 0.00 57.88 58.03 3ifv h LEU 15 Cb 0.02 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.63 3ifv h LEU 15 CO -0.04 0.79 0.11 -0.78 0.09 0.00 0.00 178.44 178.62 3ifv h ASP 16 N 0.09 -0.05 -0.70 -0.43 3.58 -0.84 -0.99 116.42 117.07 3ifv h ASP 16 Ca -0.01 0.13 0.09 0.00 0.42 0.00 0.00 57.03 57.65 3ifv h ASP 16 Cb 1.22 0.19 -0.07 0.00 1.72 0.00 0.00 39.33 42.39 3ifv h ASP 16 CO 0.10 -0.03 0.36 0.77 -2.88 0.00 0.00 179.24 177.56 3ifv h SER 17 N 0.23 0.47 0.48 2.28 4.64 -1.24 -2.59 113.55 117.82 3ifv h SER 17 Ca 0.34 0.06 -0.23 0.00 -0.47 0.00 0.00 61.79 61.48 3ifv h SER 17 Cb 0.54 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3ifv h SER 17 CO -0.45 0.28 -1.01 0.58 -0.87 0.00 0.00 176.83 175.35 3ifv h VAL 18 N 0.61 1.45 0.00 0.95 2.07 -1.47 -3.29 116.25 116.57 3ifv h VAL 18 Ca 0.34 -2.67 -0.03 0.00 0.82 0.00 0.00 66.70 65.17 3ifv h VAL 18 Cb 0.34 2.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.69 3ifv h VAL 18 CO -0.25 0.79 -0.12 -1.28 0.02 0.00 0.00 177.57 176.72 3ifv h SER 19 N 0.16 0.00 -1.06 0.57 0.87 -0.93 -1.67 113.55 111.49 3ifv h SER 19 Ca -0.09 0.00 0.28 0.00 -1.23 0.00 0.00 61.79 60.75 3ifv h SER 19 Cb 1.68 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.54 3ifv h SER 19 CO 0.17 0.12 0.68 0.58 -0.53 0.00 0.00 176.83 177.84 3ifv h VAL 20 N 0.00 0.49 0.00 2.23 2.07 -1.54 -3.32 116.25 116.17 3ifv h VAL 20 Ca -0.00 -0.13 -0.28 0.00 0.82 0.00 0.00 66.70 67.11 3ifv h VAL 20 Cb 0.33 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 3ifv h VAL 20 CO 0.02 0.07 -2.07 0.18 0.02 0.00 0.00 177.57 175.79 3ifv n LEU 21 N -4.66 1.26 -4.19 2.57 4.77 -0.69 -4.93 117.00 111.13 3ifv n LEU 21 Ca 0.27 -0.04 -0.13 0.00 -0.03 0.00 0.00 56.01 56.07 3ifv n LEU 21 Cb 0.92 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.83 3ifv n LEU 21 CO 0.24 0.57 -0.41 0.68 -1.33 0.00 0.00 177.39 177.14 3ifv s VAL 22 N -2.38 0.91 -1.07 4.08 -7.23 -0.82 -4.57 120.40 109.33 3ifv s VAL 22 Ca -0.15 -1.78 0.15 0.00 -1.81 0.00 0.00 61.98 58.39 3ifv s VAL 22 Cb 0.05 -1.52 -0.08 0.00 0.56 0.00 0.00 36.38 35.39 3ifv s VAL 22 CO 0.55 -0.67 0.74 0.47 -0.31 0.00 0.00 175.10 175.87 3ifv n ASP 23 N 0.28 1.14 -3.96 4.85 8.00 -1.26 -4.22 116.55 121.39 3ifv n ASP 23 Ca -0.14 -1.07 -0.09 0.00 0.71 0.00 0.00 54.79 54.19 3ifv n ASP 23 Cb 0.59 0.74 -0.10 0.00 -0.02 0.00 0.00 41.12 42.33 3ifv n ASP 23 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3ifv s GLU 24 N -2.14 0.42 0.21 -1.24 -1.05 -1.26 -0.81 118.70 112.83 3ifv s GLU 24 Ca 0.09 -0.64 -0.13 0.00 -0.15 0.00 0.00 54.97 54.14 3ifv s GLU 24 Cb 0.12 0.16 0.00 0.00 -0.44 0.00 0.00 34.13 33.97 3ifv s GLU 24 CO 0.51 -0.09 0.44 0.00 0.95 0.00 0.00 175.26 177.07 3ifv s LYS 26 N -3.97 4.17 -0.16 0.00 1.02 -1.26 -1.81 119.74 117.73 3ifv s LYS 26 Ca 0.18 -0.02 -0.04 0.00 0.02 0.00 0.00 55.97 56.10 3ifv s LYS 26 Cb 0.00 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.88 3ifv s LYS 26 CO 0.04 0.31 -0.03 0.42 -0.92 0.00 0.00 175.35 175.16 3ifv s ILE 27 N 0.29 3.92 -0.18 2.17 1.01 -0.23 -4.38 121.20 123.80 3ifv s ILE 27 Ca 0.14 -0.35 -0.16 0.00 0.00 0.00 0.00 60.65 60.28 3ifv s ILE 27 Cb -0.12 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 3ifv s ILE 27 CO 0.02 0.48 0.41 -0.13 0.00 0.00 0.00 174.94 175.72 3ifv s ARG 28 N 0.47 4.22 -0.97 2.79 1.81 -0.16 -1.59 118.95 125.53 3ifv s ARG 28 Ca -0.03 0.26 -0.03 0.00 -1.72 0.00 0.00 55.73 54.20 3ifv s ARG 28 Cb -0.14 -3.50 0.26 0.00 -0.45 0.00 0.00 34.95 31.11 3ifv s ARG 28 CO 0.03 0.03 1.00 1.28 -0.68 0.00 0.00 175.30 176.95 3ifv n LEU 29 N 4.22 4.92 -4.94 2.53 4.77 0.19 -2.24 117.00 126.45 3ifv n LEU 29 Ca -0.08 -5.15 -0.25 0.00 -0.03 0.00 0.00 56.01 50.50 3ifv n LEU 29 Cb 0.51 -1.20 0.04 0.00 -2.33 0.00 0.00 43.42 40.44 3ifv n LEU 29 CO 0.41 1.57 0.48 0.20 -1.33 0.00 0.00 177.39 178.72 3ifv s ASN 30 N -0.24 5.39 0.37 -1.43 0.02 -0.76 -0.08 114.94 118.21 3ifv s ASN 30 Ca 0.30 0.44 0.09 0.00 -1.02 0.00 0.00 52.86 52.68 3ifv s ASN 30 Cb -0.04 -1.38 0.73 0.00 0.02 0.00 0.00 41.25 40.59 3ifv s ASN 30 CO -0.06 -1.14 1.88 -0.33 0.02 0.00 0.00 177.10 177.46 3ifv h GLU 31 N -0.13 0.22 -0.00 -0.60 5.08 -1.92 -3.24 114.58 113.98 3ifv h GLU 31 Ca -0.45 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3ifv h GLU 31 Cb 1.28 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3ifv h GLU 31 CO 0.58 0.41 0.00 0.39 -1.00 0.00 0.00 179.01 179.39 3ifv n GLU 32 N -4.22 -0.10 -3.51 2.33 1.02 -1.26 -4.63 120.64 110.26 3ifv n GLU 32 Ca -0.01 -0.74 -0.12 0.00 -0.02 0.00 0.00 57.16 56.27 3ifv n GLU 32 Cb 0.31 -1.01 -0.04 0.00 -0.02 0.00 0.00 31.44 30.68 3ifv n GLU 32 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3ifv s SER 33 N -0.24 -0.48 -0.17 1.62 1.04 -1.22 -0.43 113.70 113.82 3ifv s SER 33 Ca 0.00 0.31 -0.09 0.00 0.48 0.00 0.00 55.95 56.65 3ifv s SER 33 Cb 0.00 0.44 -0.05 0.00 0.10 0.00 0.00 66.02 66.52 3ifv s SER 33 CO 0.00 -0.60 0.13 -0.22 0.98 0.00 0.00 173.24 173.53 3ifv s LEU 34 N -1.80 4.25 0.05 2.42 0.20 0.22 -1.83 118.68 122.20 3ifv s LEU 34 Ca -0.02 0.31 0.01 0.00 0.69 0.00 0.00 54.13 55.12 3ifv s LEU 34 Cb -0.01 -2.08 -0.03 0.00 -0.43 0.00 0.00 46.19 43.65 3ifv s LEU 34 CO -0.02 0.26 -0.06 -0.94 -0.29 0.00 0.00 176.35 175.30 3ifv s SER 35 N -0.14 0.80 -0.04 3.68 1.04 -0.95 0.66 113.70 118.75 3ifv s SER 35 Ca 0.10 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.83 3ifv s SER 35 Cb -0.11 0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.11 3ifv s SER 35 CO 0.00 -0.33 -0.01 -0.63 0.98 0.00 0.00 173.24 173.25 3ifv s ILE 36 N -2.25 0.28 -0.01 -1.02 1.01 -0.57 -0.98 121.20 117.65 3ifv s ILE 36 Ca -0.03 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.69 3ifv s ILE 36 Cb -0.04 -0.37 -0.01 0.00 0.01 0.00 0.00 42.46 42.05 3ifv s ILE 36 CO -0.02 0.18 -0.11 0.00 0.00 0.00 0.00 174.94 174.98 3ifv s ARG 37 N 1.09 0.92 0.01 2.79 1.70 -1.26 -1.28 118.95 122.91 3ifv s ARG 37 Ca -0.09 -0.40 -0.16 0.00 -0.47 0.00 0.00 55.73 54.61 3ifv s ARG 37 Cb -0.14 -0.89 0.03 0.00 -0.57 0.00 0.00 34.95 33.38 3ifv s ARG 37 CO -0.01 0.23 0.35 0.00 -1.08 0.00 0.00 175.30 174.79 3ifv s ALA 38 N -0.23 -0.85 0.16 7.88 0.00 0.04 -4.48 121.76 124.27 3ifv s ALA 38 Ca 0.04 0.31 0.10 0.00 0.00 0.00 0.00 51.96 52.41 3ifv s ALA 38 Cb -0.05 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 3ifv s ALA 38 CO -0.00 -0.33 -0.19 0.54 0.00 0.00 0.00 175.76 175.78 3ifv s VAL 39 N -1.77 2.70 0.79 0.00 0.11 -1.26 -1.18 120.40 119.80 3ifv s VAL 39 Ca -0.10 -1.75 -0.12 0.00 -2.93 0.00 0.00 61.98 57.08 3ifv s VAL 39 Cb -0.03 -2.28 0.07 0.00 -1.53 0.00 0.00 36.38 32.60 3ifv s VAL 39 CO 0.02 -0.03 1.14 1.51 -3.33 0.00 0.00 175.10 174.41 3ifv s ASP 40 N -2.49 4.68 0.23 3.54 -4.77 -0.61 -4.91 116.67 112.34 3ifv s ASP 40 Ca 0.20 0.95 -0.08 0.00 -3.30 0.00 0.00 52.55 50.33 3ifv s ASP 40 Cb -0.09 -1.56 0.20 0.00 -1.09 0.00 0.00 42.92 40.38 3ifv s ASP 40 CO 0.11 -1.81 1.87 -0.65 0.70 0.00 0.00 175.17 175.39 3ifv h PRO 41 N -0.99 1.21 0.00 2.11 0.11 -1.92 -2.43 132.00 130.09 3ifv h PRO 41 Ca -0.46 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.53 3ifv h PRO 41 Cb 1.30 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3ifv h PRO 41 CO 0.64 0.85 0.00 0.00 -0.21 0.00 0.00 178.00 179.28 3ifv n ALA 42 N -2.38 1.77 -3.71 -0.75 0.00 -1.26 -4.91 120.51 109.27 3ifv n ALA 42 Ca 0.09 -0.06 -0.25 0.00 0.00 0.00 0.00 53.44 53.23 3ifv n ALA 42 Cb 0.06 -1.25 0.05 0.00 0.00 0.00 0.00 19.45 18.32 3ifv n ALA 42 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ifv n ASN 43 N -1.40 -4.12 -0.05 0.00 3.02 -0.91 -4.94 115.26 106.86 3ifv n ASN 43 Ca 0.05 -0.70 -0.06 0.00 -0.03 0.00 0.00 54.58 53.85 3ifv n ASN 43 Cb 0.15 -4.44 -0.05 0.00 -0.61 0.00 0.00 39.78 34.83 3ifv n ASN 43 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3ifv n VAL 44 N -4.62 0.58 -4.80 2.41 0.31 -1.26 -4.87 118.33 106.08 3ifv n VAL 44 Ca -0.09 -0.27 -0.31 0.00 -0.01 0.00 0.00 64.34 63.67 3ifv n VAL 44 Cb 0.59 -0.84 -0.13 0.00 -0.91 0.00 0.00 33.84 32.54 3ifv n VAL 44 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3ifv s GLY 45 N -4.68 1.51 -0.00 2.92 0.00 -1.26 -0.24 107.32 105.57 3ifv s GLY 45 Ca -0.11 -1.16 0.03 0.00 0.00 0.00 0.00 44.72 43.48 3ifv s GLY 45 CO 0.27 -1.03 -0.09 1.06 0.00 0.00 0.00 173.10 173.32 3ifv s MET 46 N -1.21 0.68 0.02 2.90 1.00 0.20 -1.58 119.30 121.31 3ifv s MET 46 Ca 0.13 -0.35 0.06 0.00 0.00 0.00 0.00 55.69 55.53 3ifv s MET 46 Cb -0.10 -0.65 -0.02 0.00 0.00 0.00 0.00 34.83 34.06 3ifv s MET 46 CO 0.03 0.18 -0.19 0.54 0.00 0.00 0.00 175.02 175.58 3ifv s VAL 47 N -0.30 1.50 -0.19 -6.03 0.11 -0.32 -0.75 120.40 114.42 3ifv s VAL 47 Ca 0.02 -0.99 -0.04 0.00 -2.93 0.00 0.00 61.98 58.04 3ifv s VAL 47 Cb -0.04 -1.28 0.06 0.00 -1.53 0.00 0.00 36.38 33.59 3ifv s VAL 47 CO -0.00 0.27 0.07 -0.62 -3.33 0.00 0.00 175.10 171.48 3ifv s ASP 48 N -0.85 2.71 -0.12 3.54 -1.08 -0.42 -0.78 116.67 119.66 3ifv s ASP 48 Ca 0.06 -0.77 -0.03 0.00 -0.52 0.00 0.00 52.55 51.29 3ifv s ASP 48 Cb -0.08 -0.42 -0.03 0.00 -1.46 0.00 0.00 42.92 40.92 3ifv s ASP 48 CO 0.01 -0.34 -0.00 -0.22 0.52 0.00 0.00 175.17 175.14 3ifv s LEU 49 N 2.00 3.49 -0.10 -1.34 2.96 -0.41 -0.60 118.68 124.68 3ifv s LEU 49 Ca 0.01 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 3ifv s LEU 49 Cb -0.17 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.72 3ifv s LEU 49 CO -0.10 0.28 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.21 3ifv s THR 50 N -0.28 1.14 -0.29 3.68 2.01 -0.82 -1.52 115.64 119.57 3ifv s THR 50 Ca 0.06 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.68 3ifv s THR 50 Cb -0.12 -1.10 0.07 0.00 0.01 0.00 0.00 72.50 71.36 3ifv s THR 50 CO 0.02 0.38 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.06 3ifv s LEU 51 N 1.28 3.87 0.56 4.42 2.96 0.21 -1.39 118.68 130.59 3ifv s LEU 51 Ca -0.03 -1.67 -0.20 0.00 -0.22 0.00 0.00 54.13 52.01 3ifv s LEU 51 Cb -0.14 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.95 3ifv s LEU 51 CO -0.04 -0.26 1.18 -0.67 -1.32 0.00 0.00 176.35 175.24 3ifv n ASP 52 N 4.38 1.82 -0.24 3.68 2.03 -0.52 -0.61 116.55 127.09 3ifv n ASP 52 Ca -0.07 0.91 0.31 0.00 0.52 0.00 0.00 54.79 56.45 3ifv n ASP 52 Cb 0.42 -1.49 0.73 0.00 -0.72 0.00 0.00 41.12 40.06 3ifv n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ifv h ALA 53 N 1.01 2.93 0.00 -1.67 0.00 -1.07 0.19 119.26 120.65 3ifv h ALA 53 Ca -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3ifv h ALA 53 Cb 1.33 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3ifv h ALA 53 CO 0.54 -1.22 0.00 0.00 0.00 0.00 0.00 179.25 178.57 3ifv h ALA 54 N 1.50 1.00 0.00 0.00 0.00 -1.90 -2.16 119.26 117.71 3ifv h ALA 54 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3ifv h ALA 54 Cb 1.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.70 3ifv h ALA 54 CO -0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.23 3ifv n ALA 55 N -1.92 1.92 -2.94 0.00 0.00 0.68 -4.80 120.51 113.45 3ifv n ALA 55 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.23 3ifv n ALA 55 Cb 0.22 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.26 3ifv n ALA 55 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3ifv s PHE 56 N -3.15 3.46 0.07 0.00 0.08 -0.81 -4.63 117.98 113.00 3ifv s PHE 56 Ca 0.08 0.03 0.08 0.00 0.12 0.00 0.00 56.93 57.24 3ifv s PHE 56 Cb 0.12 -1.61 -0.18 0.00 -0.57 0.00 0.00 43.02 40.78 3ifv s PHE 56 CO 0.44 0.43 1.24 0.93 -0.10 0.00 0.00 175.22 178.16 3ifv h GLU 57 N 1.30 0.00 -2.64 0.44 4.39 -0.39 -3.45 114.58 114.23 3ifv h GLU 57 Ca -0.51 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.08 3ifv h GLU 57 Cb 1.22 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 29.63 3ifv h GLU 57 CO 0.62 0.89 -0.21 0.45 -1.16 0.00 0.00 179.01 179.61 3ifv s SER 58 N -6.62 -0.48 -0.09 1.42 0.15 -0.97 -4.95 113.70 102.15 3ifv s SER 58 Ca 0.01 0.91 -0.04 0.00 0.70 0.00 0.00 55.95 57.53 3ifv s SER 58 Cb 0.10 0.90 0.05 0.00 -1.71 0.00 0.00 66.02 65.35 3ifv s SER 58 CO 0.81 -0.16 0.21 -0.47 1.20 0.00 0.00 173.24 174.83 3ifv s TYR 59 N 0.47 -0.28 -0.14 3.44 5.04 -1.26 -0.63 117.35 123.99 3ifv s TYR 59 Ca -0.02 0.70 -0.04 0.00 -2.44 0.00 0.00 57.07 55.27 3ifv s TYR 59 Cb -0.04 -0.03 0.07 0.00 0.35 0.00 0.00 41.96 42.31 3ifv s TYR 59 CO -0.02 -0.23 0.21 -2.00 -1.34 0.00 0.00 175.55 172.17 3ifv s GLU 60 N 1.47 0.13 -0.01 4.97 2.12 -0.34 -5.01 118.70 122.03 3ifv s GLU 60 Ca -0.07 0.47 -0.11 0.00 0.36 0.00 0.00 54.97 55.62 3ifv s GLU 60 Cb -0.11 -0.59 0.01 0.00 0.26 0.00 0.00 34.13 33.70 3ifv s GLU 60 CO -0.07 -0.44 0.22 0.00 -0.54 0.00 0.00 175.26 174.42 3ifv s ALA 61 N 2.34 -0.54 -0.14 6.30 0.00 -1.26 -1.31 121.76 127.15 3ifv s ALA 61 Ca 0.04 0.09 0.15 0.00 0.00 0.00 0.00 51.96 52.24 3ifv s ALA 61 Cb -0.14 0.09 0.36 0.00 0.00 0.00 0.00 23.12 23.44 3ifv s ALA 61 CO -0.09 -0.23 1.18 0.72 0.00 0.00 0.00 175.76 177.34 3ifv n HIS 62 N 1.39 0.00 -0.09 0.00 8.25 -1.25 -4.28 115.22 119.24 3ifv n HIS 62 Ca -0.22 -1.10 0.00 0.00 -0.26 0.00 0.00 57.72 56.14 3ifv n HIS 62 Cb 0.56 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.47 3ifv n HIS 62 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ifv n GLY 63 N -0.81 0.79 3.64 -1.41 0.00 0.89 -4.94 105.19 103.35 3ifv n GLY 63 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3ifv n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ifv s GLY 64 N -1.63 1.59 -0.02 -0.02 0.00 -1.17 -4.65 107.32 101.42 3ifv s GLY 64 Ca 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 43.94 3ifv s GLY 64 CO 0.00 0.00 -0.06 0.14 0.00 0.00 0.00 173.10 173.18 3ifv s VAL 65 N -3.06 0.51 0.14 1.40 1.01 -1.26 0.52 120.40 119.67 3ifv s VAL 65 Ca 0.69 -0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.51 3ifv s VAL 65 Cb -0.12 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 3ifv s VAL 65 CO 0.56 0.17 -0.14 0.27 0.00 0.00 0.00 175.10 175.96 3ifv s ILE 66 N 0.20 1.40 -0.15 2.22 -4.36 -0.62 -4.96 121.20 114.93 3ifv s ILE 66 Ca -0.02 -1.89 -0.02 0.00 -0.26 0.00 0.00 60.65 58.46 3ifv s ILE 66 Cb -0.07 -1.71 -0.02 0.00 1.25 0.00 0.00 42.46 41.92 3ifv s ILE 66 CO -0.00 -0.51 -0.09 -0.83 0.24 0.00 0.00 174.94 173.75 3ifv s GLY 67 N -2.77 1.61 0.07 6.27 0.00 -1.19 -1.07 107.32 110.23 3ifv s GLY 67 Ca 0.13 -0.90 0.06 0.00 0.00 0.00 0.00 44.72 44.02 3ifv s GLY 67 CO 0.03 -0.08 -0.16 0.14 0.00 0.00 0.00 173.10 173.03 3ifv s VAL 68 N 0.48 1.30 -0.48 1.40 1.01 -0.75 -0.79 120.40 122.58 3ifv s VAL 68 Ca -0.07 -1.28 -0.28 0.00 0.00 0.00 0.00 61.98 60.35 3ifv s VAL 68 Cb -0.15 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 3ifv s VAL 68 CO 0.04 -0.10 1.71 0.21 0.00 0.00 0.00 175.10 176.96 3ifv s ASN 69 N -1.59 5.76 0.19 3.32 3.84 -1.26 -2.08 114.94 123.11 3ifv s ASN 69 Ca 0.02 0.74 0.08 0.00 0.21 0.00 0.00 52.86 53.91 3ifv s ASN 69 Cb -0.09 -2.53 0.03 0.00 -0.55 0.00 0.00 41.25 38.11 3ifv s ASN 69 CO 0.02 -1.91 1.42 0.25 -2.79 0.00 0.00 177.10 174.09 3ifv h LEU 70 N 14.38 0.01 -1.07 3.21 5.85 -1.31 -2.05 115.31 134.33 3ifv h LEU 70 Ca -0.29 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.36 3ifv h LEU 70 Cb 1.15 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 3ifv h LEU 70 CO 1.13 0.84 0.02 0.28 -0.34 0.00 0.00 178.44 180.37 3ifv h SER 71 N 0.00 0.64 -0.20 1.25 0.02 -1.88 -0.30 113.55 113.08 3ifv h SER 71 Ca -0.01 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.72 3ifv h SER 71 Cb 1.48 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.85 3ifv h SER 71 CO 0.11 0.70 -0.21 -0.09 -1.14 0.00 0.00 176.83 176.20 3ifv h ARG 72 N 0.64 0.50 -0.22 3.45 9.65 -1.87 -2.59 114.38 123.95 3ifv h ARG 72 Ca 0.13 -0.27 -0.09 0.00 -1.10 0.00 0.00 59.98 58.65 3ifv h ARG 72 Cb 0.37 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.95 3ifv h ARG 72 CO 0.01 0.85 -0.26 1.25 2.80 0.00 0.00 179.97 184.62 3ifv h LEU 73 N 0.18 0.42 -0.41 3.80 5.85 -1.20 -0.60 115.31 123.35 3ifv h LEU 73 Ca 0.03 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 3ifv h LEU 73 Cb 0.76 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3ifv h LEU 73 CO 0.05 0.68 0.25 -0.33 -0.34 0.00 0.00 178.44 178.74 3ifv h GLU 74 N 0.37 0.56 -0.53 1.25 5.08 -1.03 -2.07 114.58 118.21 3ifv h GLU 74 Ca 0.05 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3ifv h GLU 74 Cb 0.66 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 3ifv h GLU 74 CO 0.05 0.42 0.29 0.93 -1.00 0.00 0.00 179.01 179.69 3ifv h GLU 75 N 0.54 0.54 0.11 2.33 5.08 -1.01 -0.96 114.58 121.20 3ifv h GLU 75 Ca 0.15 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3ifv h GLU 75 Cb 0.00 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3ifv h GLU 75 CO -0.03 0.36 -0.09 0.28 -1.00 0.00 0.00 179.01 178.53 3ifv h VAL 76 N 0.56 0.79 -0.14 3.13 2.07 -1.05 -2.86 116.25 118.76 3ifv h VAL 76 Ca 0.23 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.79 3ifv h VAL 76 Cb 0.11 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3ifv h VAL 76 CO -0.14 0.00 0.13 0.00 0.02 0.00 0.00 177.57 177.58 3ifv h ALA 77 N 0.67 1.84 0.00 1.67 0.00 -0.98 0.36 119.26 122.81 3ifv h ALA 77 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3ifv h ALA 77 Cb 0.20 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3ifv h ALA 77 CO -0.02 -0.20 -0.09 0.78 0.00 0.00 0.00 179.25 179.73 3ifv h GLY 78 N 0.00 0.00 2.00 0.00 0.00 -0.94 -2.68 103.07 101.44 3ifv h GLY 78 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3ifv h GLY 78 CO -0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.54 176.21 3ifv h MET 79 N 0.00 0.00 0.00 4.80 2.86 -0.93 -3.51 114.93 118.14 3ifv h MET 79 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3ifv h MET 79 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 3ifv h MET 79 CO 0.01 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.98 3ifv n ALA 80 N -1.80 0.00 0.00 6.32 0.00 -1.02 -5.11 120.51 118.91 3ifv n ALA 80 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3ifv n ALA 80 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 3ifv n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ifv n GLY 83 N 3.27 0.23 3.81 0.00 0.00 -1.26 -4.98 105.19 106.25 3ifv n GLY 83 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3ifv n GLY 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ifv s ASP 84 N 0.84 5.12 0.17 1.61 1.01 -1.26 -4.87 116.67 119.28 3ifv s ASP 84 Ca 0.00 1.64 -0.02 0.00 0.71 0.00 0.00 52.55 54.88 3ifv s ASP 84 Cb 0.00 -2.47 -0.05 0.00 1.01 0.00 0.00 42.92 41.42 3ifv s ASP 84 CO 0.00 -1.62 0.37 -0.76 0.21 0.00 0.00 175.17 173.38 3ifv s LEU 85 N -5.65 4.25 -0.16 1.23 1.43 -1.26 -2.04 118.68 116.49 3ifv s LEU 85 Ca 0.59 0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 54.14 3ifv s LEU 85 Cb -0.15 -3.21 -0.01 0.00 0.03 0.00 0.00 46.19 42.85 3ifv s LEU 85 CO 0.55 0.01 -0.12 -0.63 0.23 0.00 0.00 176.35 176.39 3ifv s ILE 86 N -1.77 2.98 -0.24 -0.59 1.01 -0.17 -4.53 121.20 117.89 3ifv s ILE 86 Ca 0.39 -0.67 -0.14 0.00 0.00 0.00 0.00 60.65 60.24 3ifv s ILE 86 Cb -0.12 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 3ifv s ILE 86 CO 0.27 0.50 0.30 -1.00 0.00 0.00 0.00 174.94 175.02 3ifv s HIS 87 N 0.73 3.31 -0.20 3.97 3.76 0.26 -1.93 115.29 125.20 3ifv s HIS 87 Ca -0.05 0.41 -0.02 0.00 -0.15 0.00 0.00 55.06 55.24 3ifv s HIS 87 Cb -0.15 -2.45 -0.00 0.00 1.11 0.00 0.00 32.58 31.09 3ifv s HIS 87 CO 0.02 -0.06 -0.10 -0.51 -0.85 0.00 0.00 174.74 173.23 3ifv s LEU 88 N 1.48 2.62 -0.05 0.89 1.43 0.15 -1.54 118.68 123.66 3ifv s LEU 88 Ca 0.14 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 3ifv s LEU 88 Cb -0.15 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.46 3ifv s LEU 88 CO 0.08 0.01 -0.04 -0.89 0.23 0.00 0.00 176.35 175.74 3ifv s THR 89 N 1.27 0.51 -0.07 5.49 2.01 -0.43 0.03 115.64 124.45 3ifv s THR 89 Ca 0.03 -0.07 -0.15 0.00 0.31 0.00 0.00 61.69 61.81 3ifv s THR 89 Cb -0.14 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.75 3ifv s THR 89 CO -0.05 0.24 0.37 -0.22 -0.69 0.00 0.00 174.62 174.27 3ifv s LEU 90 N 1.17 4.37 -0.68 4.42 2.96 -0.86 -0.66 118.68 129.40 3ifv s LEU 90 Ca -0.07 0.78 -0.13 0.00 -0.22 0.00 0.00 54.13 54.50 3ifv s LEU 90 Cb -0.14 -2.52 0.18 0.00 0.50 0.00 0.00 46.19 44.21 3ifv s LEU 90 CO -0.01 0.21 0.60 -0.62 -1.32 0.00 0.00 176.35 175.21 3ifv s ASP 91 N -0.33 6.29 0.62 3.68 -1.08 0.64 -4.64 116.67 121.85 3ifv s ASP 91 Ca 0.22 -2.37 0.36 0.00 -0.52 0.00 0.00 52.55 50.24 3ifv s ASP 91 Cb -0.15 -2.14 2.07 0.00 -1.46 0.00 0.00 42.92 41.24 3ifv s ASP 91 CO 0.10 -0.64 2.30 -0.33 0.52 0.00 0.00 175.17 177.11 3ifv h GLU 92 N 8.07 0.00 0.07 4.34 5.08 -1.96 0.52 114.58 130.70 3ifv h GLU 92 Ca -0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3ifv h GLU 92 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3ifv h GLU 92 CO 0.84 0.01 -0.03 0.93 -1.00 0.00 0.00 179.01 179.75 3ifv h GLU 93 N 0.00 -0.09 -0.01 2.33 5.08 -1.94 -3.27 114.58 116.68 3ifv h GLU 93 Ca -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3ifv h GLU 93 Cb 0.02 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3ifv h GLU 93 CO 0.00 0.47 -0.27 0.25 -1.00 0.00 0.00 179.01 178.46 3ifv n THR 94 N -4.84 0.00 -3.45 1.13 -2.24 -1.07 -4.97 114.28 98.85 3ifv n THR 94 Ca -0.08 -0.11 -0.18 0.00 -2.27 0.00 0.00 64.05 61.40 3ifv n THR 94 Cb 0.30 0.36 0.07 0.00 -2.10 0.00 0.00 70.33 68.96 3ifv n THR 94 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ifv n ARG 95 N -0.74 -4.97 -4.29 -0.78 5.12 0.18 -4.89 116.66 106.28 3ifv n ARG 95 Ca 0.12 0.79 -0.19 0.00 -1.93 0.00 0.00 57.85 56.64 3ifv n ARG 95 Cb 0.34 -5.65 -0.13 0.00 -1.16 0.00 0.00 32.46 25.86 3ifv n ARG 95 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3ifv s LYS 96 N -5.27 0.82 -0.28 5.56 1.02 -0.99 -1.35 119.74 119.25 3ifv s LYS 96 Ca 0.14 -0.69 -0.11 0.00 0.02 0.00 0.00 55.97 55.32 3ifv s LYS 96 Cb -0.02 -0.79 -0.05 0.00 -0.52 0.00 0.00 37.83 36.45 3ifv s LYS 96 CO 0.75 0.19 0.20 -1.17 -0.92 0.00 0.00 175.35 174.41 3ifv s LEU 97 N -1.07 4.02 -0.15 3.17 2.96 -0.20 -0.26 118.68 127.14 3ifv s LEU 97 Ca -0.00 0.01 -0.19 0.00 -0.22 0.00 0.00 54.13 53.73 3ifv s LEU 97 Cb -0.07 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 3ifv s LEU 97 CO 0.01 -0.06 0.54 0.21 -1.32 0.00 0.00 176.35 175.73 3ifv s ASN 98 N 1.75 6.68 -0.15 3.68 2.47 0.16 -1.31 114.94 128.22 3ifv s ASN 98 Ca 0.08 0.81 -0.00 0.00 0.42 0.00 0.00 52.86 54.16 3ifv s ASN 98 Cb -0.16 -2.31 -0.01 0.00 -1.45 0.00 0.00 41.25 37.32 3ifv s ASN 98 CO 0.11 -0.12 -0.13 -0.63 -3.72 0.00 0.00 177.10 172.62 3ifv s ILE 99 N 1.19 2.98 -0.06 -5.21 1.01 -0.23 -1.31 121.20 119.57 3ifv s ILE 99 Ca 0.27 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.28 3ifv s ILE 99 Cb -0.16 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.05 3ifv s ILE 99 CO 0.11 0.51 -0.15 -0.60 0.00 0.00 0.00 174.94 174.81 3ifv s ARG 100 N 0.59 1.82 -0.24 2.79 3.52 -0.59 -0.79 118.95 126.06 3ifv s ARG 100 Ca -0.08 -0.54 -0.03 0.00 -0.13 0.00 0.00 55.73 54.95 3ifv s ARG 100 Cb -0.16 -1.53 0.08 0.00 -1.56 0.00 0.00 34.95 31.79 3ifv s ARG 100 CO 0.03 0.15 0.08 0.42 -0.81 0.00 0.00 175.30 175.16 3ifv s ILE 101 N 0.31 0.39 0.00 4.11 1.01 -0.15 -0.58 121.20 126.30 3ifv s ILE 101 Ca -0.09 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.83 3ifv s ILE 101 Cb -0.14 -1.09 0.00 0.00 0.01 0.00 0.00 42.46 41.24 3ifv s ILE 101 CO 0.03 -0.43 0.00 0.47 0.00 0.00 0.00 174.94 175.02 3ifv n ASP 102 N 5.08 0.00 -0.19 3.58 9.92 -1.26 -1.19 116.55 132.49 3ifv n ASP 102 Ca -0.07 0.00 0.14 0.00 -0.53 0.00 0.00 54.79 54.34 3ifv n ASP 102 Cb 0.45 0.00 0.60 0.00 -0.64 0.00 0.00 41.12 41.53 3ifv n ASP 102 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ifv n GLY 103 N 0.00 -0.73 3.64 0.44 0.00 -1.26 -4.85 105.19 102.42 3ifv n GLY 103 Ca 0.00 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 3ifv n GLY 103 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ifv s LEU 104 N -2.34 4.07 -0.15 0.99 2.96 -0.33 -5.05 118.68 118.81 3ifv s LEU 104 Ca 0.32 1.07 0.01 0.00 -0.22 0.00 0.00 54.13 55.30 3ifv s LEU 104 Cb 0.20 -3.30 0.02 0.00 0.50 0.00 0.00 46.19 43.61 3ifv s LEU 104 CO 0.45 -0.62 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.26 3ifv s SER 105 N 1.39 2.81 -0.14 3.68 0.01 -1.26 -0.98 113.70 119.22 3ifv s SER 105 Ca 0.38 -0.53 0.01 0.00 1.31 0.00 0.00 55.95 57.12 3ifv s SER 105 Cb -0.15 -1.27 -0.00 0.00 0.21 0.00 0.00 66.02 64.81 3ifv s SER 105 CO 0.09 -0.03 -0.18 -0.47 0.41 0.00 0.00 173.24 173.05 3ifv s TYR 106 N 1.38 2.71 -0.26 2.43 5.04 0.03 -4.98 117.35 123.70 3ifv s TYR 106 Ca 0.04 -1.04 -0.06 0.00 -2.44 0.00 0.00 57.07 53.57 3ifv s TYR 106 Cb -0.13 -1.83 -0.00 0.00 0.35 0.00 0.00 41.96 40.35 3ifv s TYR 106 CO -0.11 -0.45 0.03 0.99 -1.34 0.00 0.00 175.55 174.68 3ifv s THR 107 N 0.63 3.81 -0.22 4.34 2.01 -1.26 -1.07 115.64 123.88 3ifv s THR 107 Ca -0.10 -0.53 -0.04 0.00 0.31 0.00 0.00 61.69 61.33 3ifv s THR 107 Cb -0.16 -2.86 -0.01 0.00 0.01 0.00 0.00 72.50 69.48 3ifv s THR 107 CO 0.03 0.25 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.96 3ifv s LEU 108 N 1.51 2.99 0.05 4.42 2.96 -0.43 -4.97 118.68 125.21 3ifv s LEU 108 Ca 0.04 -0.35 -0.31 0.00 -0.22 0.00 0.00 54.13 53.30 3ifv s LEU 108 Cb -0.16 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 3ifv s LEU 108 CO 0.01 -0.01 1.19 0.00 -1.32 0.00 0.00 176.35 176.22 3ifv s ALA 109 N 1.42 3.39 0.79 5.97 0.00 -1.26 -1.03 121.76 131.04 3ifv s ALA 109 Ca 0.05 0.82 -0.11 0.00 0.00 0.00 0.00 51.96 52.72 3ifv s ALA 109 Cb -0.14 -3.45 0.06 0.00 0.00 0.00 0.00 23.12 19.59 3ifv s ALA 109 CO -0.02 -0.46 1.08 -0.51 0.00 0.00 0.00 175.76 175.86 3ifv s LEU 110 N 1.16 2.79 -0.02 0.00 1.43 -0.46 -4.75 118.68 118.83 3ifv s LEU 110 Ca 0.58 1.58 0.03 0.00 -1.03 0.00 0.00 54.13 55.29 3ifv s LEU 110 Cb -0.29 -4.24 -0.03 0.00 0.03 0.00 0.00 46.19 41.66 3ifv s LEU 110 CO 0.29 -2.00 -0.08 -0.63 0.23 0.00 0.00 176.35 174.15 3ifv s ILE 111 N -3.00 3.54 0.04 -0.59 1.01 0.03 -4.99 121.20 117.25 3ifv s ILE 111 Ca 0.61 -0.69 -0.32 0.00 0.00 0.00 0.00 60.65 60.25 3ifv s ILE 111 Cb -0.16 -2.49 -0.11 0.00 0.01 0.00 0.00 42.46 39.72 3ifv s ILE 111 CO 0.56 0.48 1.89 -0.67 0.00 0.00 0.00 174.94 177.20 3ifv n ASP 112 N 1.87 3.90 0.23 3.58 -0.08 -1.26 -3.18 116.55 121.61 3ifv n ASP 112 Ca -0.16 0.96 0.09 0.00 -1.51 0.00 0.00 54.79 54.17 3ifv n ASP 112 Cb 0.53 -1.49 0.65 0.00 2.34 0.00 0.00 41.12 43.15 3ifv n ASP 112 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3ifv h PRO 113 N 9.33 0.00 0.00 -0.67 0.13 -1.91 -1.49 132.00 137.39 3ifv h PRO 113 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3ifv h PRO 113 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3ifv h PRO 113 CO 0.94 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.46 3ifv n ASP 114 N -4.51 0.00 -0.65 1.44 8.00 -1.26 -0.36 116.55 119.21 3ifv n ASP 114 Ca -0.02 0.43 0.10 0.00 0.71 0.00 0.00 54.79 56.01 3ifv n ASP 114 Cb 0.15 -0.45 0.04 0.00 -0.02 0.00 0.00 41.12 40.84 3ifv n ASP 114 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3ifv n SER 115 N -1.45 2.33 -4.55 -2.24 2.88 -0.56 -4.93 113.62 105.09 3ifv n SER 115 Ca 0.02 -1.66 -0.29 0.00 -1.33 0.00 0.00 58.87 55.60 3ifv n SER 115 Cb 0.08 0.23 -0.10 0.00 -0.75 0.00 0.00 64.21 63.67 3ifv n SER 115 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3ifv s ILE 116 N -2.00 3.22 -0.07 2.46 1.01 0.52 -5.04 121.20 121.29 3ifv s ILE 116 Ca 0.21 -1.36 -0.39 0.00 0.00 0.00 0.00 60.65 59.11 3ifv s ILE 116 Cb 0.17 -2.50 -0.18 0.00 0.01 0.00 0.00 42.46 39.96 3ifv s ILE 116 CO 0.38 0.09 1.37 -1.14 0.00 0.00 0.00 174.94 175.65 3ifv n ARG 117 N 0.69 0.73 -1.58 2.79 3.00 -1.26 -4.88 116.66 116.15 3ifv n ARG 117 Ca -0.14 0.26 -0.54 0.00 -0.00 0.00 0.00 57.85 57.44 3ifv n ARG 117 Cb 0.53 -1.86 -0.06 0.00 0.00 0.00 0.00 32.46 31.06 3ifv n ARG 117 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 3ifv n GLN 118 N 2.94 0.89 -1.86 -0.14 7.27 -1.26 -4.87 117.38 120.35 3ifv n GLN 118 Ca 0.22 0.32 -0.41 0.00 0.07 0.00 0.00 57.00 57.20 3ifv n GLN 118 Cb 0.12 -1.93 -0.01 0.00 2.41 0.00 0.00 30.24 30.83 3ifv n GLN 118 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 3ifv s GLU 119 N 0.49 4.16 0.53 3.69 2.02 -1.26 -4.72 118.70 123.61 3ifv s GLU 119 Ca 0.86 2.50 -0.05 0.00 0.02 0.00 0.00 54.97 58.30 3ifv s GLU 119 Cb -1.03 -3.02 -0.02 0.00 0.10 0.00 0.00 34.13 30.16 3ifv s GLU 119 CO 0.50 -0.51 0.83 -1.25 0.02 0.00 0.00 175.26 174.85 3ifv s PRO 120 N -1.26 3.31 -0.29 0.39 0.04 -1.26 -5.03 135.00 130.90 3ifv s PRO 120 Ca 0.57 0.13 -0.17 0.00 0.04 0.00 0.00 61.00 61.57 3ifv s PRO 120 Cb -0.46 -2.33 -0.02 0.00 0.04 0.00 0.00 34.50 31.73 3ifv s PRO 120 CO 0.54 -0.40 0.47 0.34 0.04 0.00 0.00 177.00 177.99 3ifv s ASP 121 N -4.18 6.34 -0.61 6.66 -1.08 -1.26 -4.86 116.67 117.68 3ifv s ASP 121 Ca 0.50 0.31 -0.25 0.00 -0.52 0.00 0.00 52.55 52.59 3ifv s ASP 121 Cb -0.10 -2.25 0.04 0.00 -1.46 0.00 0.00 42.92 39.15 3ifv s ASP 121 CO 0.45 -0.30 1.04 -0.63 0.52 0.00 0.00 175.17 176.25 3ifv s ILE 122 N 2.25 4.21 0.33 4.11 1.01 -1.26 -5.02 121.20 126.82 3ifv s ILE 122 Ca 0.18 0.24 -0.29 0.00 0.00 0.00 0.00 60.65 60.78 3ifv s ILE 122 Cb -0.16 -4.66 -0.12 0.00 0.01 0.00 0.00 42.46 37.53 3ifv s ILE 122 CO 0.10 -1.35 1.48 -0.81 0.00 0.00 0.00 174.94 174.36 3ifv n PRO 123 N 7.97 2.51 -2.60 2.79 -0.04 -1.26 -4.93 135.00 139.43 3ifv n PRO 123 Ca 0.02 0.88 -0.42 0.00 -0.04 0.00 0.00 63.50 63.94 3ifv n PRO 123 Cb 0.47 -2.60 -0.03 0.00 -0.04 0.00 0.00 33.50 31.31 3ifv n PRO 123 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ifv s ASP 124 N 0.09 7.19 0.24 3.54 1.01 -1.26 -5.02 116.67 122.45 3ifv s ASP 124 Ca 0.59 1.66 0.11 0.00 0.71 0.00 0.00 52.55 55.62 3ifv s ASP 124 Cb -0.52 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 40.80 3ifv s ASP 124 CO 0.57 -0.47 -0.14 -0.76 0.21 0.00 0.00 175.17 174.58 3ifv s LEU 125 N 1.91 2.78 -0.52 1.23 1.43 -1.26 -5.06 118.68 119.18 3ifv s LEU 125 Ca 0.52 -0.81 0.04 0.00 -1.03 0.00 0.00 54.13 52.85 3ifv s LEU 125 Cb -0.21 -1.38 0.39 0.00 0.03 0.00 0.00 46.19 45.03 3ifv s LEU 125 CO 0.21 0.06 1.17 0.47 0.23 0.00 0.00 176.35 178.50 3ifv n ASP 126 N -0.35 4.98 -4.73 2.29 8.00 -1.26 -5.06 116.55 120.42 3ifv n ASP 126 Ca -0.08 -3.72 -0.35 0.00 0.71 0.00 0.00 54.79 51.35 3ifv n ASP 126 Cb 0.58 -0.55 0.08 0.00 -0.02 0.00 0.00 41.12 41.21 3ifv n ASP 126 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ifv s LEU 127 N -3.60 3.38 0.20 0.64 1.43 -1.26 -4.88 118.68 114.59 3ifv s LEU 127 Ca 0.48 2.35 -0.03 0.00 -1.03 0.00 0.00 54.13 55.91 3ifv s LEU 127 Cb 0.37 -4.59 0.13 0.00 0.03 0.00 0.00 46.19 42.13 3ifv s LEU 127 CO -0.20 -2.12 1.51 0.00 0.23 0.00 0.00 176.35 175.78 3ifv h ALA 128 N -0.07 0.72 -3.12 4.21 0.00 -1.80 -3.45 119.26 115.75 3ifv h ALA 128 Ca -0.48 -0.51 -0.63 0.00 0.00 0.00 0.00 54.91 53.29 3ifv h ALA 128 Cb 1.30 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.86 3ifv h ALA 128 CO 0.51 0.69 -0.72 0.00 0.00 0.00 0.00 179.25 179.72 3ifv s ALA 129 N -4.01 2.96 -0.04 0.00 0.00 0.08 -3.75 121.76 117.00 3ifv s ALA 129 Ca -0.07 -1.42 -0.01 0.00 0.00 0.00 0.00 51.96 50.46 3ifv s ALA 129 Cb 0.11 -0.78 0.03 0.00 0.00 0.00 0.00 23.12 22.48 3ifv s ALA 129 CO 0.84 0.50 0.07 1.21 0.00 0.00 0.00 175.76 178.38 3ifv s ASN 130 N -2.71 0.58 -0.08 0.00 2.47 -0.62 -1.98 114.94 112.60 3ifv s ASN 130 Ca 0.24 0.11 0.01 0.00 0.42 0.00 0.00 52.86 53.65 3ifv s ASN 130 Cb -0.09 -0.04 0.02 0.00 -1.45 0.00 0.00 41.25 39.69 3ifv s ASN 130 CO 0.15 -0.20 -0.09 -0.63 -3.72 0.00 0.00 177.10 172.61 3ifv s ILE 131 N 1.68 1.00 -0.18 -5.21 1.09 0.72 -0.48 121.20 119.82 3ifv s ILE 131 Ca -0.02 -0.35 -0.05 0.00 -1.10 0.00 0.00 60.65 59.14 3ifv s ILE 131 Cb -0.12 -0.97 -0.03 0.00 -1.06 0.00 0.00 42.46 40.28 3ifv s ILE 131 CO -0.04 0.34 -0.01 -0.69 -0.10 0.00 0.00 174.94 174.45 3ifv s VAL 132 N 1.13 4.03 0.09 2.92 1.01 0.21 0.48 120.40 130.27 3ifv s VAL 132 Ca -0.06 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.46 3ifv s VAL 132 Cb -0.14 -2.80 0.03 0.00 0.00 0.00 0.00 36.38 33.47 3ifv s VAL 132 CO -0.02 0.46 0.38 -1.48 0.00 0.00 0.00 175.10 174.44 3ifv s LEU 133 N 0.67 0.52 0.41 3.92 0.05 0.17 -1.06 118.68 123.36 3ifv s LEU 133 Ca -0.01 -0.25 -0.27 0.00 0.05 0.00 0.00 54.13 53.66 3ifv s LEU 133 Cb -0.14 1.71 -0.10 0.00 -2.05 0.00 0.00 46.19 45.61 3ifv s LEU 133 CO 0.02 -0.77 1.45 -1.61 -0.55 0.00 0.00 176.35 174.89 3ifv s GLU 134 N -3.35 3.90 0.54 1.48 0.41 -1.26 -0.11 118.70 120.32 3ifv s GLU 134 Ca 0.00 2.48 0.24 0.00 -0.41 0.00 0.00 54.97 57.29 3ifv s GLU 134 Cb 0.01 -2.81 1.53 0.00 -1.78 0.00 0.00 34.13 31.08 3ifv s GLU 134 CO -0.09 -0.67 2.16 0.78 -0.49 0.00 0.00 175.26 176.96 3ifv h GLY 135 N 2.66 0.00 1.32 -1.39 0.00 -1.42 -2.80 103.07 101.44 3ifv h GLY 135 Ca -0.51 0.00 0.05 0.00 0.00 0.00 0.00 47.33 46.88 3ifv h GLY 135 CO 0.63 0.00 0.33 0.00 0.00 0.00 0.00 176.54 177.50 3ifv h THR 136 N 0.00 0.99 -0.34 4.70 1.03 -1.84 -1.52 112.91 115.92 3ifv h THR 136 Ca -0.00 -0.16 -0.16 0.00 -0.01 0.00 0.00 66.41 66.08 3ifv h THR 136 Cb 0.12 0.49 -0.00 0.00 -1.07 0.00 0.00 68.15 67.68 3ifv h THR 136 CO 0.01 0.08 -0.43 0.45 -0.01 0.00 0.00 175.52 175.62 3ifv h HIS 137 N 0.46 1.07 -0.19 0.00 3.86 -1.89 -0.48 115.15 117.98 3ifv h HIS 137 Ca 0.21 -0.34 -0.17 0.00 -1.16 0.00 0.00 60.37 58.91 3ifv h HIS 137 Cb 0.26 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 3ifv h HIS 137 CO -0.00 1.15 -0.59 1.25 0.86 0.00 0.00 177.93 180.60 3ifv h LEU 138 N 0.71 0.69 -0.09 2.43 5.85 -1.44 -1.15 115.31 122.31 3ifv h LEU 138 Ca 0.05 -0.38 0.04 0.00 0.84 0.00 0.00 57.88 58.43 3ifv h LEU 138 Cb 1.02 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 3ifv h LEU 138 CO 0.10 1.12 -0.29 0.44 -0.34 0.00 0.00 178.44 179.47 3ifv h ASP 139 N 0.46 -0.89 -0.37 1.25 3.32 -1.26 -1.97 116.42 116.96 3ifv h ASP 139 Ca -0.00 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3ifv h ASP 139 Cb 1.16 0.38 -0.02 0.00 0.22 0.00 0.00 39.33 41.07 3ifv h ASP 139 CO 0.11 -0.34 0.23 -0.09 -1.72 0.00 0.00 179.24 177.44 3ifv h ARG 140 N -0.39 0.49 -0.39 3.56 2.43 -0.91 -0.66 114.38 118.51 3ifv h ARG 140 Ca 0.09 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 3ifv h ARG 140 Cb 0.52 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3ifv h ARG 140 CO -0.31 0.35 -0.21 0.78 -1.51 0.00 0.00 179.97 179.07 3ifv h GLY 141 N 0.49 0.82 0.92 2.80 0.00 -1.18 -0.68 103.07 106.24 3ifv h GLY 141 Ca 0.13 -0.69 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 3ifv h GLY 141 CO -0.03 0.63 -0.03 -2.22 0.00 0.00 0.00 176.54 174.89 3ifv h ILE 142 N 0.67 1.27 -0.58 2.60 2.04 -1.29 -1.65 117.51 120.56 3ifv h ILE 142 Ca 0.10 -1.04 0.06 0.00 1.00 0.00 0.00 64.86 64.98 3ifv h ILE 142 Cb 0.71 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 3ifv h ILE 142 CO 0.05 0.34 0.29 0.50 0.00 0.00 0.00 178.15 179.33 3ifv h LYS 143 N 0.43 0.52 -0.12 2.37 3.64 -0.75 -2.38 116.57 120.29 3ifv h LYS 143 Ca 0.09 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 3ifv h LYS 143 Cb 0.50 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3ifv h LYS 143 CO 0.02 0.35 -0.03 0.00 -2.27 0.00 0.00 179.45 177.52 3ifv h ALA 144 N 1.33 0.16 -0.89 5.00 0.00 -1.04 -3.01 119.26 120.81 3ifv h ALA 144 Ca 0.27 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.04 3ifv h ALA 144 Cb 0.21 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 3ifv h ALA 144 CO -0.20 -0.09 0.54 0.00 0.00 0.00 0.00 179.25 179.50 3ifv h ALA 145 N 0.68 1.27 -0.25 0.00 0.00 -1.26 -1.63 119.26 118.07 3ifv h ALA 145 Ca 0.03 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ifv h ALA 145 Cb 0.46 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3ifv h ALA 145 CO 0.01 0.20 0.17 0.22 0.00 0.00 0.00 179.25 179.86 3ifv h ASP 146 N 0.92 0.25 -0.94 0.00 3.58 -1.29 -1.06 116.42 117.88 3ifv h ASP 146 Ca 0.42 -0.01 0.12 0.00 0.42 0.00 0.00 57.03 57.98 3ifv h ASP 146 Cb 0.32 -0.06 -0.08 0.00 1.72 0.00 0.00 39.33 41.23 3ifv h ASP 146 CO -0.22 0.18 0.57 0.24 -2.88 0.00 0.00 179.24 177.12 3ifv h MET 147 N 0.29 0.88 -0.00 0.28 2.86 -1.25 -3.24 114.93 114.75 3ifv h MET 147 Ca 0.10 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3ifv h MET 147 Cb 0.04 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.50 3ifv h MET 147 CO -0.02 0.58 -0.62 1.33 1.06 0.00 0.00 176.91 179.24 3ifv n VAL 148 N -4.68 0.00 -3.76 -2.22 0.24 -0.69 -5.07 118.33 102.15 3ifv n VAL 148 Ca 0.17 -0.19 -0.08 0.00 -2.04 0.00 0.00 64.34 62.20 3ifv n VAL 148 Cb 0.34 1.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.69 3ifv n VAL 148 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3ifv s SER 149 N -2.24 -0.33 0.00 -1.34 0.15 -0.49 -4.04 113.70 105.41 3ifv s SER 149 Ca 0.05 -0.47 0.14 0.00 0.70 0.00 0.00 55.95 56.37 3ifv s SER 149 Cb 0.10 0.70 0.38 0.00 -1.71 0.00 0.00 66.02 65.49 3ifv s SER 149 CO 0.54 -1.26 1.31 0.47 1.20 0.00 0.00 173.24 175.50 3ifv n ASP 150 N -0.44 3.14 -4.35 5.45 9.92 -1.26 -4.15 116.55 124.85 3ifv n ASP 150 Ca -0.07 -1.98 -0.31 0.00 -0.53 0.00 0.00 54.79 51.89 3ifv n ASP 150 Cb 0.60 -0.28 -0.15 0.00 -0.64 0.00 0.00 41.12 40.65 3ifv n ASP 150 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 3ifv s HIS 151 N -1.01 2.43 -0.05 1.24 3.76 -1.26 -0.63 115.29 119.76 3ifv s HIS 151 Ca 0.29 -0.37 0.04 0.00 -0.15 0.00 0.00 55.06 54.86 3ifv s HIS 151 Cb 0.15 -1.54 0.00 0.00 1.11 0.00 0.00 32.58 32.31 3ifv s HIS 151 CO 0.20 0.01 -0.16 -1.50 -0.85 0.00 0.00 174.74 172.45 3ifv s ILE 152 N -0.63 1.34 -0.17 0.60 2.07 -0.38 -4.73 121.20 119.30 3ifv s ILE 152 Ca 0.10 -0.65 -0.06 0.00 -1.41 0.00 0.00 60.65 58.63 3ifv s ILE 152 Cb -0.10 -1.18 -0.04 0.00 0.13 0.00 0.00 42.46 41.27 3ifv s ILE 152 CO -0.01 0.39 0.04 -0.60 -1.91 0.00 0.00 174.94 172.86 3ifv s ARG 153 N 0.25 3.82 -0.13 3.50 3.52 -0.01 0.37 118.95 130.25 3ifv s ARG 153 Ca -0.08 -0.38 0.00 0.00 -0.13 0.00 0.00 55.73 55.15 3ifv s ARG 153 Cb -0.13 -3.12 -0.01 0.00 -1.56 0.00 0.00 34.95 30.13 3ifv s ARG 153 CO 0.03 0.32 -0.15 -0.51 -0.81 0.00 0.00 175.30 174.19 3ifv s LEU 154 N 0.21 2.60 -0.06 -0.88 1.02 -0.22 -1.18 118.68 120.17 3ifv s LEU 154 Ca 0.03 -0.38 -0.04 0.00 0.02 0.00 0.00 54.13 53.75 3ifv s LEU 154 Cb -0.13 -1.58 0.02 0.00 0.02 0.00 0.00 46.19 44.52 3ifv s LEU 154 CO 0.01 0.14 0.14 -0.60 0.02 0.00 0.00 176.35 176.07 3ifv s ARG 155 N 0.47 0.15 -0.03 1.70 3.52 -0.38 -1.45 118.95 122.94 3ifv s ARG 155 Ca -0.10 0.25 -0.13 0.00 -0.13 0.00 0.00 55.73 55.62 3ifv s ARG 155 Cb -0.16 0.01 -0.05 0.00 -1.56 0.00 0.00 34.95 33.18 3ifv s ARG 155 CO 0.05 -0.06 0.35 0.08 -0.81 0.00 0.00 175.30 174.91 3ifv s VAL 156 N 0.40 5.14 -0.49 7.11 1.01 0.48 -0.56 120.40 133.49 3ifv s VAL 156 Ca -0.03 0.71 -0.15 0.00 0.00 0.00 0.00 61.98 62.51 3ifv s VAL 156 Cb -0.04 -3.65 0.09 0.00 0.00 0.00 0.00 36.38 32.78 3ifv s VAL 156 CO -0.02 0.58 0.41 -0.62 0.00 0.00 0.00 175.10 175.45 3ifv s ASP 157 N -0.98 6.13 0.55 3.32 -1.08 0.97 -4.55 116.67 121.03 3ifv s ASP 157 Ca 0.22 -1.45 0.33 0.00 -0.52 0.00 0.00 52.55 51.13 3ifv s ASP 157 Cb -0.16 -2.18 1.44 0.00 -1.46 0.00 0.00 42.92 40.57 3ifv s ASP 157 CO 0.11 -0.69 2.02 1.23 0.52 0.00 0.00 175.17 178.36 3ifv h GLY 158 N 8.77 0.00 0.00 2.66 0.00 -1.85 -0.02 103.07 112.63 3ifv h GLY 158 Ca -0.28 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 3ifv h GLY 158 CO 0.91 0.00 -0.43 0.00 0.00 0.00 0.00 176.54 177.02 3ifv h ALA 159 N 1.95 0.07 0.00 3.60 0.00 -1.92 -3.30 119.26 119.66 3ifv h ALA 159 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3ifv h ALA 159 Cb 0.47 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3ifv h ALA 159 CO 0.01 0.27 0.00 0.39 0.00 0.00 0.00 179.25 179.92 3ifv n GLU 160 N -4.60 0.71 -4.03 0.00 1.02 -1.18 -4.91 120.64 107.65 3ifv n GLU 160 Ca -0.13 0.01 -0.28 0.00 -0.02 0.00 0.00 57.16 56.74 3ifv n GLU 160 Cb 0.40 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.29 3ifv n GLU 160 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3ifv n GLU 161 N -1.06 -3.18 -5.24 3.49 1.02 -0.08 -4.58 120.64 111.02 3ifv n GLU 161 Ca 0.18 0.38 -0.32 0.00 -0.02 0.00 0.00 57.16 57.38 3ifv n GLU 161 Cb 0.11 -4.61 -0.16 0.00 -0.02 0.00 0.00 31.44 26.76 3ifv n GLU 161 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3ifv s THR 162 N -3.83 2.10 -0.11 2.62 2.01 -0.85 -3.31 115.64 114.25 3ifv s THR 162 Ca 0.17 -1.05 -0.05 0.00 0.31 0.00 0.00 61.69 61.08 3ifv s THR 162 Cb -0.09 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 3ifv s THR 162 CO 0.90 0.57 0.07 0.12 -0.69 0.00 0.00 174.62 175.59 3ifv s PHE 163 N -0.08 3.35 -0.08 4.92 5.36 -0.49 -0.02 117.98 130.93 3ifv s PHE 163 Ca -0.06 0.31 0.03 0.00 -0.96 0.00 0.00 56.93 56.25 3ifv s PHE 163 Cb -0.14 -1.89 0.01 0.00 -0.34 0.00 0.00 43.02 40.66 3ifv s PHE 163 CO 0.05 0.53 -0.16 -1.01 -1.46 0.00 0.00 175.22 173.17 3ifv s HIS 164 N -0.77 1.86 -0.23 10.12 3.76 0.28 0.13 115.29 130.44 3ifv s HIS 164 Ca 0.13 -0.75 -0.00 0.00 -0.15 0.00 0.00 55.06 54.28 3ifv s HIS 164 Cb -0.12 -1.31 0.03 0.00 1.11 0.00 0.00 32.58 32.28 3ifv s HIS 164 CO 0.03 -0.36 -0.11 0.42 -0.85 0.00 0.00 174.74 173.87 3ifv s ILE 165 N 0.64 2.55 0.22 0.60 1.01 -0.50 -1.25 121.20 124.48 3ifv s ILE 165 Ca -0.14 -1.05 -0.07 0.00 0.00 0.00 0.00 60.65 59.39 3ifv s ILE 165 Cb -0.16 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 3ifv s ILE 165 CO 0.04 0.29 0.30 -1.83 0.00 0.00 0.00 174.94 173.74 3ifv s GLU 166 N 1.29 1.37 -0.03 2.79 -1.05 -0.33 -0.80 118.70 121.94 3ifv s GLU 166 Ca 0.01 -1.44 -0.30 0.00 -0.15 0.00 0.00 54.97 53.09 3ifv s GLU 166 Cb -0.16 0.37 0.08 0.00 -0.44 0.00 0.00 34.13 33.98 3ifv s GLU 166 CO -0.07 -0.51 0.72 0.00 0.95 0.00 0.00 175.26 176.35 3ifv s ALA 167 N -4.09 -1.77 -0.14 -0.84 0.00 -1.02 -0.83 121.76 113.06 3ifv s ALA 167 Ca 0.31 1.22 0.01 0.00 0.00 0.00 0.00 51.96 53.50 3ifv s ALA 167 Cb 0.03 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.22 3ifv s ALA 167 CO 0.10 -0.44 -0.17 -2.00 0.00 0.00 0.00 175.76 173.25 3ifv s GLU 168 N -1.66 2.59 0.00 0.00 2.12 -1.26 -0.86 118.70 119.63 3ifv s GLU 168 Ca -0.07 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 54.58 3ifv s GLU 168 Cb -0.00 -2.22 0.00 0.00 0.26 0.00 0.00 34.13 32.16 3ifv s GLU 168 CO 0.04 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 3ifv n GLY 169 N 4.45 4.27 0.10 -1.50 0.00 0.86 -4.80 105.19 108.56 3ifv n GLY 169 Ca -0.19 -2.05 -0.12 0.00 0.00 0.00 0.00 46.02 43.66 3ifv n GLY 169 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ifv h ASP 170 N 0.00 0.19 0.00 1.61 3.32 -2.01 -3.40 116.42 116.14 3ifv h ASP 170 Ca 0.00 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.68 3ifv h ASP 170 Cb 0.00 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3ifv h ASP 170 CO 0.00 0.52 -0.70 0.35 -1.72 0.00 0.00 179.24 177.69 3ifv n THR 171 N -4.77 0.00 -3.38 0.35 -2.24 -1.26 -5.08 114.28 97.90 3ifv n THR 171 Ca -0.06 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.40 3ifv n THR 171 Cb 0.24 -0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.32 3ifv n THR 171 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3ifv s ASP 172 N -1.82 6.64 0.11 3.42 1.01 -1.26 -5.11 116.67 119.65 3ifv s ASP 172 Ca 0.00 0.96 0.01 0.00 0.71 0.00 0.00 52.55 54.23 3ifv s ASP 172 Cb 0.00 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 3ifv s ASP 172 CO 0.00 -0.09 -0.03 -1.81 0.21 0.00 0.00 175.17 173.45 3ifv s ASP 173 N -2.35 0.88 0.00 0.27 1.01 -1.26 -0.10 116.67 115.12 3ifv s ASP 173 Ca 0.48 -1.07 -0.02 0.00 0.71 0.00 0.00 52.55 52.65 3ifv s ASP 173 Cb -0.11 0.15 -0.01 0.00 1.01 0.00 0.00 42.92 43.97 3ifv s ASP 173 CO 0.21 -0.56 0.03 0.54 0.21 0.00 0.00 175.17 175.60 3ifv s VAL 174 N -3.76 0.07 -0.22 -1.27 0.11 -0.04 -5.00 120.40 110.29 3ifv s VAL 174 Ca 0.15 -0.59 -0.04 0.00 -2.93 0.00 0.00 61.98 58.58 3ifv s VAL 174 Cb 0.06 -0.24 0.11 0.00 -1.53 0.00 0.00 36.38 34.78 3ifv s VAL 174 CO -0.03 -0.32 0.30 -0.62 -3.33 0.00 0.00 175.10 171.09 3ifv s ASP 175 N -1.00 0.79 -0.40 3.54 2.15 -1.26 -2.45 116.67 118.04 3ifv s ASP 175 Ca -0.11 0.04 -0.22 0.00 0.43 0.00 0.00 52.55 52.70 3ifv s ASP 175 Cb -0.07 0.74 0.01 0.00 -0.30 0.00 0.00 42.92 43.31 3ifv s ASP 175 CO -0.00 -0.31 0.71 -0.22 -0.17 0.00 0.00 175.17 175.18 3ifv s LEU 176 N 2.43 4.28 -0.21 -1.34 2.96 0.02 -4.98 118.68 121.85 3ifv s LEU 176 Ca 0.09 0.01 -0.06 0.00 -0.22 0.00 0.00 54.13 53.95 3ifv s LEU 176 Cb -0.15 -2.87 -0.03 0.00 0.50 0.00 0.00 46.19 43.64 3ifv s LEU 176 CO -0.14 -0.75 0.03 -0.55 -1.32 0.00 0.00 176.35 173.62 3ifv s SER 177 N 1.94 5.02 -0.61 3.68 0.15 -1.26 -1.41 113.70 121.20 3ifv s SER 177 Ca 0.27 -0.16 0.04 0.00 0.70 0.00 0.00 55.95 56.80 3ifv s SER 177 Cb -0.13 -1.87 0.16 0.00 -1.71 0.00 0.00 66.02 62.46 3ifv s SER 177 CO 0.18 0.06 0.41 -0.76 1.20 0.00 0.00 173.24 174.32 3ifv s LEU 178 N 1.06 4.23 1.26 3.45 1.43 0.12 -4.98 118.68 125.25 3ifv s LEU 178 Ca 0.03 -3.49 -0.18 0.00 -1.03 0.00 0.00 54.13 49.45 3ifv s LEU 178 Cb -0.14 -1.48 0.31 0.00 0.03 0.00 0.00 46.19 44.90 3ifv s LEU 178 CO 0.02 -0.14 1.01 -2.16 0.23 0.00 0.00 176.35 175.32 3ifv s PRO 179 N -0.91 -1.69 0.55 1.29 0.04 -1.26 -1.40 135.00 131.62 3ifv s PRO 179 Ca 0.23 0.29 0.23 0.00 0.04 0.00 0.00 61.00 61.79 3ifv s PRO 179 Cb -0.10 -1.51 1.47 0.00 0.04 0.00 0.00 34.50 34.40 3ifv s PRO 179 CO -0.12 -4.10 2.13 -1.35 0.04 0.00 0.00 177.00 173.61 3ifv h PRO 180 N -2.87 0.00 0.00 0.56 0.11 -1.80 -1.74 132.00 126.26 3ifv h PRO 180 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3ifv h PRO 180 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3ifv h PRO 180 CO 0.39 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.18 3ifv h ALA 181 N 1.91 1.00 -0.53 -0.75 0.00 -1.93 -1.86 119.26 117.10 3ifv h ALA 181 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ifv h ALA 181 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3ifv h ALA 181 CO -0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 3ifv n ASP 182 N -2.65 3.52 -4.71 0.00 8.00 -0.66 -4.96 116.55 115.09 3ifv n ASP 182 Ca -0.01 -1.97 -0.23 0.00 0.71 0.00 0.00 54.79 53.28 3ifv n ASP 182 Cb 0.14 -0.35 -0.06 0.00 -0.02 0.00 0.00 41.12 40.83 3ifv n ASP 182 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ifv s LEU 183 N -1.12 3.43 -0.03 0.64 1.43 -0.70 -4.73 118.68 117.60 3ifv s LEU 183 Ca 0.39 -0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 52.90 3ifv s LEU 183 Cb 0.21 -1.98 -0.32 0.00 0.03 0.00 0.00 46.19 44.13 3ifv s LEU 183 CO 0.28 0.01 0.76 0.40 0.23 0.00 0.00 176.35 178.03 3ifv h ILE 184 N 1.89 1.07 -3.06 -0.59 2.04 -1.37 -3.49 117.51 114.01 3ifv h ILE 184 Ca -0.46 -2.56 0.05 0.00 1.00 0.00 0.00 64.86 62.89 3ifv h ILE 184 Cb 1.23 2.86 -0.06 0.00 -0.74 0.00 0.00 36.82 40.12 3ifv h ILE 184 CO 0.60 0.83 0.20 -0.94 0.00 0.00 0.00 178.15 178.83 3ifv s SER 185 N -7.35 -0.27 -0.17 1.72 1.04 -1.00 -4.97 113.70 102.71 3ifv s SER 185 Ca -0.14 -0.59 -0.11 0.00 0.48 0.00 0.00 55.95 55.58 3ifv s SER 185 Cb 0.05 0.71 0.05 0.00 0.10 0.00 0.00 66.02 66.93 3ifv s SER 185 CO 0.87 -1.30 0.42 -0.51 0.98 0.00 0.00 173.24 173.70 3ifv s ILE 186 N -3.92 -0.02 -0.37 -1.02 2.07 -1.26 -0.62 121.20 116.07 3ifv s ILE 186 Ca 0.11 0.06 -0.12 0.00 -1.41 0.00 0.00 60.65 59.30 3ifv s ILE 186 Cb -0.05 -0.62 0.01 0.00 0.13 0.00 0.00 42.46 41.93 3ifv s ILE 186 CO 0.06 0.03 0.22 -1.61 -1.91 0.00 0.00 174.94 171.73 3ifv s GLU 187 N 1.09 3.04 -0.52 3.50 2.02 0.37 -4.98 118.70 123.21 3ifv s GLU 187 Ca -0.07 -0.95 -0.03 0.00 0.02 0.00 0.00 54.97 53.94 3ifv s GLU 187 Cb -0.07 -3.77 0.14 0.00 0.10 0.00 0.00 34.13 30.53 3ifv s GLU 187 CO -0.09 -0.63 2.55 0.00 0.02 0.00 0.00 175.26 177.11 3ifv n ALA 188 N 5.05 6.35 -0.78 5.21 0.00 -1.26 -1.59 120.51 133.48 3ifv n ALA 188 Ca -0.12 -3.13 -0.28 0.00 0.00 0.00 0.00 53.44 49.91 3ifv n ALA 188 Cb 0.47 -2.04 0.23 0.00 0.00 0.00 0.00 19.45 18.11 3ifv n ALA 188 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ifv s GLY 189 N 0.01 1.54 0.10 0.00 0.00 -1.25 -4.35 107.32 103.37 3ifv s GLY 189 Ca 0.55 -0.28 -0.31 0.00 0.00 0.00 0.00 44.72 44.69 3ifv s GLY 189 CO -0.23 0.43 1.66 0.00 0.00 0.00 0.00 173.10 174.95 3ifv s ALA 190 N -2.66 3.71 -0.25 3.20 0.00 -1.26 -4.44 121.76 120.07 3ifv s ALA 190 Ca 0.67 1.27 -0.19 0.00 0.00 0.00 0.00 51.96 53.72 3ifv s ALA 190 Cb -0.22 -3.69 0.07 0.00 0.00 0.00 0.00 23.12 19.28 3ifv s ALA 190 CO 0.62 -1.05 0.64 0.00 0.00 0.00 0.00 175.76 175.96 3ifv s ALA 191 N 2.34 -1.63 -0.30 0.00 0.00 -1.26 -4.20 121.76 116.70 3ifv s ALA 191 Ca 0.74 2.00 -0.07 0.00 0.00 0.00 0.00 51.96 54.62 3ifv s ALA 191 Cb -0.41 -1.17 0.18 0.00 0.00 0.00 0.00 23.12 21.72 3ifv s ALA 191 CO 0.32 -0.33 0.89 0.34 0.00 0.00 0.00 175.76 176.99 3ifv s ASP 192 N 0.91 -0.81 0.03 0.00 -1.08 -0.28 -0.38 116.67 115.05 3ifv s ASP 192 Ca -0.05 0.35 0.00 0.00 -0.52 0.00 0.00 52.55 52.34 3ifv s ASP 192 Cb -0.05 1.62 -0.02 0.00 -1.46 0.00 0.00 42.92 43.01 3ifv s ASP 192 CO -0.08 -0.15 -0.04 -0.44 0.52 0.00 0.00 175.17 174.98 3ifv s SER 193 N 2.92 0.39 -0.02 -0.34 0.01 -0.53 -1.56 113.70 114.58 3ifv s SER 193 Ca 0.11 -0.58 0.05 0.00 1.31 0.00 0.00 55.95 56.84 3ifv s SER 193 Cb -0.10 0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.21 3ifv s SER 193 CO -0.18 -0.33 -0.17 -0.22 0.41 0.00 0.00 173.24 172.76 3ifv s LEU 194 N -1.70 2.62 0.15 2.44 2.96 -1.26 -1.06 118.68 122.83 3ifv s LEU 194 Ca -0.12 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 3ifv s LEU 194 Cb -0.07 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 3ifv s LEU 194 CO -0.02 0.32 0.00 -0.36 -1.32 0.00 0.00 176.35 174.97 3ifv s PHE 195 N -0.77 1.06 -0.03 5.38 0.40 0.16 -0.44 117.98 123.73 3ifv s PHE 195 Ca 0.12 -1.06 -0.30 0.00 -0.60 0.00 0.00 56.93 55.10 3ifv s PHE 195 Cb -0.10 -0.61 -0.06 0.00 0.51 0.00 0.00 43.02 42.76 3ifv s PHE 195 CO 0.02 -0.28 1.60 0.45 0.70 0.00 0.00 175.22 177.71 3ifv s SER 196 N -3.12 6.69 0.21 1.36 0.15 -1.26 -1.25 113.70 116.48 3ifv s SER 196 Ca 0.22 2.23 -0.10 0.00 0.70 0.00 0.00 55.95 59.00 3ifv s SER 196 Cb 0.06 -2.54 0.19 0.00 -1.71 0.00 0.00 66.02 62.02 3ifv s SER 196 CO 0.02 -0.89 1.84 0.25 1.20 0.00 0.00 173.24 175.66 3ifv h LEU 197 N 9.71 0.69 -0.54 3.45 6.46 -1.18 -3.06 115.31 130.83 3ifv h LEU 197 Ca -0.39 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.38 3ifv h LEU 197 Cb 1.18 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.93 3ifv h LEU 197 CO 0.94 0.48 0.36 0.44 -0.62 0.00 0.00 178.44 180.04 3ifv h ASP 198 N 0.83 0.63 -0.35 1.25 3.32 -1.92 0.58 116.42 120.76 3ifv h ASP 198 Ca 0.28 -0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.36 3ifv h ASP 198 Cb 0.03 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.38 3ifv h ASP 198 CO -0.11 0.46 0.05 1.88 -1.72 0.00 0.00 179.24 179.80 3ifv h TYR 199 N 0.74 0.08 -0.44 4.55 -1.99 -1.95 -2.18 116.97 115.79 3ifv h TYR 199 Ca 0.20 0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.88 3ifv h TYR 199 Cb -0.08 0.02 -0.02 0.00 2.00 0.00 0.00 36.73 38.65 3ifv h TYR 199 CO -0.03 -0.00 -0.04 1.25 -0.00 0.00 0.00 178.16 179.33 3ifv h LEU 200 N 0.17 0.71 -0.53 3.88 5.85 -1.20 -1.52 115.31 122.67 3ifv h LEU 200 Ca 0.17 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 3ifv h LEU 200 Cb 0.20 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3ifv h LEU 200 CO -0.24 0.81 0.03 0.50 -0.34 0.00 0.00 178.44 179.20 3ifv h LYS 201 N 0.69 0.92 -0.40 1.25 3.64 -0.82 0.13 116.57 121.97 3ifv h LYS 201 Ca 0.13 -0.28 -0.04 0.00 -1.27 0.00 0.00 60.65 59.19 3ifv h LYS 201 Cb 0.48 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3ifv h LYS 201 CO 0.02 0.92 0.10 -0.44 -2.27 0.00 0.00 179.45 177.78 3ifv h ASP 202 N 0.79 0.60 0.26 4.20 3.32 -1.26 0.62 116.42 124.96 3ifv h ASP 202 Ca 0.15 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 56.98 3ifv h ASP 202 Cb 0.49 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 3ifv h ASP 202 CO 0.02 0.68 -0.36 0.24 -1.72 0.00 0.00 179.24 178.10 3ifv h MET 203 N 0.50 -0.65 -0.63 3.56 2.86 -1.23 -2.56 114.93 116.77 3ifv h MET 203 Ca 0.12 0.04 0.06 0.00 -2.06 0.00 0.00 59.70 57.86 3ifv h MET 203 Cb 0.31 0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 3ifv h MET 203 CO 0.00 -0.44 0.42 -0.97 1.06 0.00 0.00 176.91 176.98 3ifv h ASN 204 N -0.68 0.57 0.16 1.22 -1.24 -0.57 -2.10 115.58 112.93 3ifv h ASN 204 Ca -0.00 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 3ifv h ASN 204 Cb 0.65 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.57 3ifv h ASN 204 CO -0.12 0.37 -0.08 0.11 -1.29 0.00 0.00 177.43 176.43 3ifv h LYS 205 N 0.65 0.00 0.00 6.67 1.57 -0.48 -1.87 116.57 123.11 3ifv h LYS 205 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3ifv h LYS 205 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3ifv h LYS 205 CO -0.08 0.08 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 3ifv h ALA 206 N 1.92 1.00 -2.51 3.86 0.00 -1.02 -3.45 119.26 119.07 3ifv h ALA 206 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3ifv h ALA 206 Cb 0.18 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.98 3ifv h ALA 206 CO 0.01 0.00 0.70 0.42 0.00 0.00 0.00 179.25 180.38 3ifv s ILE 207 N -3.30 3.53 0.59 0.00 1.01 -0.70 -4.69 121.20 117.64 3ifv s ILE 207 Ca 0.06 1.08 -0.18 0.00 0.00 0.00 0.00 60.65 61.61 3ifv s ILE 207 Cb 0.06 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 3ifv s ILE 207 CO 0.64 0.07 1.12 -2.84 0.00 0.00 0.00 174.94 173.93 3ifv s PRO 208 N 1.30 3.13 0.41 2.79 0.02 -1.26 -4.88 135.00 136.50 3ifv s PRO 208 Ca 0.63 1.51 0.08 0.00 0.02 0.00 0.00 61.00 63.24 3ifv s PRO 208 Cb -0.34 -1.98 0.87 0.00 0.02 0.00 0.00 34.50 33.06 3ifv s PRO 208 CO 0.29 -1.01 2.04 1.79 -0.33 0.00 0.00 177.00 179.78 3ifv h THR 209 N 0.71 1.07 -0.49 0.99 1.35 -1.94 -1.89 112.91 112.70 3ifv h THR 209 Ca -0.49 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3ifv h THR 209 Cb 1.25 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 3ifv h THR 209 CO 0.56 0.10 0.00 -0.90 -0.25 0.00 0.00 175.52 175.03 3ifv n ASP 210 N -4.47 3.04 -4.79 5.36 5.68 -1.26 -4.40 116.55 115.71 3ifv n ASP 210 Ca 0.05 -2.13 -0.36 0.00 -0.50 0.00 0.00 54.79 51.86 3ifv n ASP 210 Cb 0.12 -0.40 -0.06 0.00 -1.14 0.00 0.00 41.12 39.65 3ifv n ASP 210 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ifv s ALA 211 N -1.49 3.10 -0.05 2.12 0.00 -0.71 -4.79 121.76 119.93 3ifv s ALA 211 Ca 0.35 0.56 -0.16 0.00 0.00 0.00 0.00 51.96 52.71 3ifv s ALA 211 Cb 0.20 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 3ifv s ALA 211 CO 0.21 -0.01 0.44 -1.21 0.00 0.00 0.00 175.76 175.19 3ifv s GLU 212 N -2.59 4.12 -0.10 0.00 2.02 -1.26 -1.23 118.70 119.66 3ifv s GLU 212 Ca 0.57 0.43 0.01 0.00 0.02 0.00 0.00 54.97 56.00 3ifv s GLU 212 Cb -0.17 -3.31 -0.02 0.00 0.10 0.00 0.00 34.13 30.72 3ifv s GLU 212 CO 0.22 0.46 -0.13 0.08 0.02 0.00 0.00 175.26 175.91 3ifv s VAL 213 N -0.35 3.12 -0.20 2.63 1.01 0.85 -4.57 120.40 122.89 3ifv s VAL 213 Ca 0.24 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 3ifv s VAL 213 Cb -0.16 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 3ifv s VAL 213 CO 0.12 0.55 0.23 -0.89 0.00 0.00 0.00 175.10 175.11 3ifv s THR 214 N -0.12 5.33 -0.17 3.92 2.01 0.02 -0.66 115.64 125.98 3ifv s THR 214 Ca -0.01 0.37 -0.00 0.00 0.31 0.00 0.00 61.69 62.36 3ifv s THR 214 Cb -0.14 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 68.81 3ifv s THR 214 CO 0.03 0.37 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.50 3ifv s VAL 215 N 0.72 2.64 -0.18 3.82 1.01 0.18 -0.75 120.40 127.84 3ifv s VAL 215 Ca 0.12 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 3ifv s VAL 215 Cb -0.13 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 3ifv s VAL 215 CO 0.03 0.51 -0.02 -1.61 0.00 0.00 0.00 175.10 174.00 3ifv s GLU 216 N 0.98 3.63 -0.07 2.72 2.02 -0.52 -0.20 118.70 127.26 3ifv s GLU 216 Ca -0.02 -0.53 -0.05 0.00 0.02 0.00 0.00 54.97 54.39 3ifv s GLU 216 Cb -0.15 -2.98 0.03 0.00 0.10 0.00 0.00 34.13 31.13 3ifv s GLU 216 CO -0.03 0.13 0.18 -1.17 0.02 0.00 0.00 175.26 174.39 3ifv s LEU 217 N 0.67 1.01 0.00 1.80 2.96 -0.84 -1.75 118.68 122.53 3ifv s LEU 217 Ca -0.02 0.37 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 3ifv s LEU 217 Cb -0.14 0.56 0.00 0.00 0.50 0.00 0.00 46.19 47.11 3ifv s LEU 217 CO 0.02 -0.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.56 3ifv n GLY 218 N 3.54 5.58 3.38 7.98 0.00 -1.26 -0.74 105.19 123.67 3ifv n GLY 218 Ca -0.19 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 3ifv n GLY 218 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ifv s GLU 219 N 1.59 2.83 -1.27 1.61 2.02 -1.26 -1.13 118.70 123.09 3ifv s GLU 219 Ca 0.00 -1.11 -0.04 0.00 0.02 0.00 0.00 54.97 53.84 3ifv s GLU 219 Cb 0.00 -3.79 0.01 0.00 0.10 0.00 0.00 34.13 30.45 3ifv s GLU 219 CO 0.00 -0.74 1.06 0.39 0.02 0.00 0.00 175.26 175.99 3ifv n GLU 220 N 5.02 -7.05 -4.40 1.61 1.02 -0.60 -4.95 120.64 111.30 3ifv n GLU 220 Ca -0.12 0.83 -0.22 0.00 -0.02 0.00 0.00 57.16 57.64 3ifv n GLU 220 Cb 0.46 -5.84 -0.08 0.00 -0.02 0.00 0.00 31.44 25.95 3ifv n GLU 220 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3ifv s PHE 221 N -3.36 1.72 0.66 -0.32 0.08 -1.26 -4.97 117.98 110.53 3ifv s PHE 221 Ca 0.23 -1.40 -0.12 0.00 0.12 0.00 0.00 56.93 55.76 3ifv s PHE 221 Cb -0.10 -0.95 -0.01 0.00 -0.57 0.00 0.00 43.02 41.39 3ifv s PHE 221 CO 0.74 -0.51 1.06 -2.14 -0.10 0.00 0.00 175.22 174.26 3ifv s PRO 222 N -3.69 3.08 -0.01 0.24 0.02 -1.26 -4.18 135.00 129.20 3ifv s PRO 222 Ca 0.32 1.00 -0.03 0.00 0.02 0.00 0.00 61.00 62.32 3ifv s PRO 222 Cb 0.03 -2.01 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 3ifv s PRO 222 CO 0.19 -0.99 0.18 0.54 -0.33 0.00 0.00 177.00 176.58 3ifv s VAL 223 N -2.90 5.39 0.09 3.83 0.11 -0.71 -4.56 120.40 121.65 3ifv s VAL 223 Ca 0.59 -0.16 0.08 0.00 -2.93 0.00 0.00 61.98 59.56 3ifv s VAL 223 Cb -0.14 -3.51 -0.04 0.00 -1.53 0.00 0.00 36.38 31.16 3ifv s VAL 223 CO 0.50 0.34 -0.16 -0.54 -3.33 0.00 0.00 175.10 171.91 3ifv s LYS 224 N -1.90 1.98 -0.03 1.54 1.02 -0.72 -0.63 119.74 121.01 3ifv s LYS 224 Ca 0.27 -1.06 0.04 0.00 0.02 0.00 0.00 55.97 55.23 3ifv s LYS 224 Cb -0.13 -2.20 -0.00 0.00 -0.52 0.00 0.00 37.83 34.99 3ifv s LYS 224 CO 0.18 0.51 -0.13 -0.51 -0.92 0.00 0.00 175.35 174.48 3ifv s LEU 225 N -1.90 1.90 -0.01 3.17 1.43 -0.06 -1.44 118.68 121.78 3ifv s LEU 225 Ca 0.18 -0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.06 3ifv s LEU 225 Cb -0.11 -0.72 -0.01 0.00 0.03 0.00 0.00 46.19 45.38 3ifv s LEU 225 CO 0.09 0.13 -0.13 -1.00 0.23 0.00 0.00 176.35 175.67 3ifv s HIS 226 N -0.03 1.14 0.25 0.29 3.76 0.07 -0.33 115.29 120.46 3ifv s HIS 226 Ca -0.00 -0.23 -0.17 0.00 -0.15 0.00 0.00 55.06 54.51 3ifv s HIS 226 Cb -0.08 -0.73 0.01 0.00 1.11 0.00 0.00 32.58 32.89 3ifv s HIS 226 CO 0.01 -0.01 0.59 1.52 -0.85 0.00 0.00 174.74 175.99 3ifv s TYR 227 N -0.35 0.06 0.24 1.40 -0.85 -0.60 -0.80 117.35 116.45 3ifv s TYR 227 Ca 0.05 -0.46 0.12 0.00 -0.52 0.00 0.00 57.07 56.25 3ifv s TYR 227 Cb -0.05 0.44 -0.05 0.00 0.38 0.00 0.00 41.96 42.68 3ifv s TYR 227 CO -0.00 -1.09 -0.22 -0.65 -1.52 0.00 0.00 175.55 172.07 3ifv s GLN 228 N -3.96 1.61 0.31 -3.49 -0.21 -1.26 -0.31 119.66 112.35 3ifv s GLN 228 Ca 0.16 -1.64 0.07 0.00 0.02 0.00 0.00 55.36 53.96 3ifv s GLN 228 Cb -0.03 -1.81 -0.02 0.00 1.00 0.00 0.00 33.01 32.14 3ifv s GLN 228 CO 0.07 0.37 0.24 0.44 -2.12 0.00 0.00 175.29 174.28 3ifv n ILE 229 N -0.18 0.00 -3.78 1.08 -5.35 -0.61 -4.82 119.36 105.70 3ifv n ILE 229 Ca -0.09 -2.18 -0.28 0.00 -0.27 0.00 0.00 62.75 59.94 3ifv n ILE 229 Cb 0.58 1.05 0.05 0.00 -1.74 0.00 0.00 39.64 39.58 3ifv n ILE 229 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ifv n ALA 230 N -0.99 -1.30 -4.11 -1.28 0.00 -1.26 -1.71 120.51 109.85 3ifv n ALA 230 Ca -0.11 0.28 -0.34 0.00 0.00 0.00 0.00 53.44 53.27 3ifv n ALA 230 Cb 0.54 -4.91 -0.01 0.00 0.00 0.00 0.00 19.45 15.08 3ifv n ALA 230 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ifv n GLU 231 N -4.82 -4.01 0.00 0.00 -0.58 -1.26 -1.82 120.64 108.15 3ifv n GLU 231 Ca 0.03 0.45 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 3ifv n GLU 231 Cb 0.54 -5.24 0.00 0.00 -0.57 0.00 0.00 31.44 26.17 3ifv n GLU 231 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ifv n GLY 232 N -1.51 3.42 0.74 0.62 0.00 -0.69 -4.94 105.19 102.84 3ifv n GLY 232 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 3ifv n GLY 232 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3ifv n MET 233 N -1.83 1.94 -4.18 1.61 2.81 -0.76 -4.72 117.12 112.00 3ifv n MET 233 Ca 0.00 -1.45 -0.17 0.00 -1.81 0.00 0.00 57.70 54.28 3ifv n MET 233 Cb 0.00 -1.37 -0.11 0.00 -0.71 0.00 0.00 33.22 31.03 3ifv n MET 233 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3ifv s GLY 234 N -1.24 0.89 0.02 3.03 0.00 -0.79 -1.44 107.32 107.78 3ifv s GLY 234 Ca 0.31 -1.11 0.02 0.00 0.00 0.00 0.00 44.72 43.94 3ifv s GLY 234 CO 0.23 -1.16 -0.06 -0.51 0.00 0.00 0.00 173.10 171.60 3ifv s THR 235 N -1.81 0.42 -0.03 0.90 -4.23 -0.48 -1.57 115.64 108.84 3ifv s THR 235 Ca 0.02 -0.58 0.05 0.00 -1.18 0.00 0.00 61.69 60.00 3ifv s THR 235 Cb -0.07 -0.42 -0.01 0.00 1.34 0.00 0.00 72.50 73.34 3ifv s THR 235 CO 0.02 -0.12 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.18 3ifv s ILE 236 N -0.67 1.37 -0.07 2.99 1.09 0.58 -1.94 121.20 124.55 3ifv s ILE 236 Ca -0.04 -0.72 0.03 0.00 -1.10 0.00 0.00 60.65 58.83 3ifv s ILE 236 Cb -0.05 -1.16 0.00 0.00 -1.06 0.00 0.00 42.46 40.19 3ifv s ILE 236 CO 0.00 0.39 -0.18 -0.89 -0.10 0.00 0.00 174.94 174.17 3ifv s THR 237 N -0.19 1.54 0.09 2.92 2.01 0.23 -1.55 115.64 120.70 3ifv s THR 237 Ca 0.02 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.32 3ifv s THR 237 Cb -0.09 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 3ifv s THR 237 CO 0.01 0.44 0.09 -0.31 -0.69 0.00 0.00 174.62 174.16 3ifv s TYR 238 N 0.41 3.18 -0.06 4.92 4.12 0.56 -1.31 117.35 129.18 3ifv s TYR 238 Ca -0.14 0.06 0.03 0.00 0.02 0.00 0.00 57.07 57.04 3ifv s TYR 238 Cb -0.16 -1.60 0.01 0.00 -1.52 0.00 0.00 41.96 38.69 3ifv s TYR 238 CO 0.05 0.52 -0.14 1.41 0.02 0.00 0.00 175.55 177.42 3ifv s MET 239 N -2.50 1.70 -0.16 -0.62 1.75 0.07 -0.88 119.30 118.66 3ifv s MET 239 Ca 0.29 -0.48 0.01 0.00 -1.25 0.00 0.00 55.69 54.27 3ifv s MET 239 Cb -0.12 -1.43 0.02 0.00 2.84 0.00 0.00 34.83 36.15 3ifv s MET 239 CO 0.22 0.11 -0.16 -1.17 -0.65 0.00 0.00 175.02 173.36 3ifv s LEU 240 N 0.42 1.88 0.57 4.11 2.96 0.20 -0.63 118.68 128.19 3ifv s LEU 240 Ca -0.10 -0.56 -0.19 0.00 -0.22 0.00 0.00 54.13 53.05 3ifv s LEU 240 Cb -0.14 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.21 3ifv s LEU 240 CO 0.03 -0.04 1.20 0.00 -1.32 0.00 0.00 176.35 176.22 3ifv s ALA 241 N 1.40 2.61 0.65 5.97 0.00 0.66 -1.74 121.76 131.32 3ifv s ALA 241 Ca 0.05 0.98 -0.12 0.00 0.00 0.00 0.00 51.96 52.87 3ifv s ALA 241 Cb -0.13 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 3ifv s ALA 241 CO -0.12 -1.06 1.04 -1.25 0.00 0.00 0.00 175.76 174.38 3ifv s PRO 242 N -3.26 3.26 0.00 0.00 0.04 -1.26 -4.68 135.00 129.10 3ifv s PRO 242 Ca 0.75 0.93 0.25 0.00 0.04 0.00 0.00 61.00 62.97 3ifv s PRO 242 Cb -0.29 -2.03 0.33 0.00 0.04 0.00 0.00 34.50 32.54 3ifv s PRO 242 CO 0.32 -0.84 1.34 2.89 0.04 0.00 0.00 177.00 180.75