#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3v n LEU 9 N 0.00 0.00 -4.52 0.00 7.94 -1.26 -4.86 117.00 114.29 1p3v n LEU 9 Ca 0.00 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 54.56 1p3v n LEU 9 Cb 0.00 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.06 1p3v n LEU 9 CO 0.00 0.00 0.24 0.35 -1.11 0.00 0.00 177.39 176.87 1p3v n THR 10 N 0.00 0.95 -0.37 1.96 -2.24 -1.26 -4.82 114.28 108.51 1p3v n THR 10 Ca 0.00 -0.23 0.01 0.00 -2.27 0.00 0.00 64.05 61.56 1p3v n THR 10 Cb 0.00 -0.83 0.15 0.00 -2.10 0.00 0.00 70.33 67.55 1p3v n THR 10 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1p3v h PHE 11 N -1.14 1.20 -0.49 4.78 3.57 -1.92 -2.45 116.94 120.49 1p3v h PHE 11 Ca -0.45 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.06 1p3v h PHE 11 Cb 1.30 -0.40 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 1p3v h PHE 11 CO 0.41 0.66 0.21 0.00 -2.23 0.00 0.00 178.31 177.36 1p3v h ALA 12 N 1.42 0.63 0.00 2.41 0.00 -1.91 -1.30 119.26 120.52 1p3v h ALA 12 Ca 0.41 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1p3v h ALA 12 Cb 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1p3v h ALA 12 CO -0.15 0.22 0.00 1.63 0.00 0.00 0.00 179.25 180.95 1p3v n LYS 13 N -4.59 0.28 -0.03 0.00 5.02 -0.98 -2.14 118.16 115.72 1p3v n LYS 13 Ca 0.02 0.07 -0.20 0.00 -2.02 0.00 0.00 58.31 56.17 1p3v n LYS 13 Cb 0.14 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.51 1p3v n LYS 13 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1p3v n ARG 14 N -1.32 0.73 -0.04 1.97 0.63 -0.89 -2.51 116.66 115.22 1p3v n ARG 14 Ca 0.10 0.23 -0.09 0.00 -0.92 0.00 0.00 57.85 57.17 1p3v n ARG 14 Cb 0.21 -1.66 -0.03 0.00 0.45 0.00 0.00 32.46 31.42 1p3v n ARG 14 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1p3v h LEU 15 N 0.05 0.12 0.57 6.15 3.38 -1.08 -1.29 115.31 123.21 1p3v h LEU 15 Ca -0.46 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 1p3v h LEU 15 Cb 2.00 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 1p3v h LEU 15 CO 0.04 0.10 -0.42 0.50 0.09 0.00 0.00 178.44 178.75 1p3v h LYS 16 N 0.19 -0.93 -0.42 1.13 3.64 -1.57 -1.94 116.57 116.67 1p3v h LYS 16 Ca 0.08 0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.60 1p3v h LYS 16 Cb 0.03 0.21 -0.09 0.00 -0.41 0.00 0.00 32.23 31.97 1p3v h LYS 16 CO -0.07 -0.62 -0.38 0.00 -2.27 0.00 0.00 179.45 176.11 1p3v h ALA 17 N -0.70 -0.30 0.00 5.00 0.00 -1.29 -0.40 119.26 121.57 1p3v h ALA 17 Ca -0.07 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1p3v h ALA 17 Cb 0.81 0.81 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1p3v h ALA 17 CO 0.02 -0.79 0.00 -0.44 0.00 0.00 0.00 179.25 178.04 1p3v h ASP 18 N -0.29 0.00 -0.00 0.00 3.32 -1.12 -3.26 116.42 115.07 1p3v h ASP 18 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1p3v h ASP 18 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1p3v h ASP 18 CO -0.57 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.30 1p3v n THR 19 N -2.69 0.12 -0.33 0.35 -2.24 -0.45 -4.70 114.28 104.33 1p3v n THR 19 Ca -0.00 -0.56 -0.02 0.00 -2.27 0.00 0.00 64.05 61.19 1p3v n THR 19 Cb 0.16 0.96 0.10 0.00 -2.10 0.00 0.00 70.33 69.45 1p3v n THR 19 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1p3v h THR 20 N 0.16 1.20 0.33 4.28 2.02 -1.17 0.16 112.91 119.89 1p3v h THR 20 Ca 0.00 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1p3v h THR 20 Cb 0.09 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.38 1p3v h THR 20 CO 0.00 0.22 -0.46 0.00 0.37 0.00 0.00 175.52 175.65 1p3v h ALA 21 N 1.35 -0.95 -0.02 6.16 0.00 -1.84 0.14 119.26 124.10 1p3v h ALA 21 Ca 0.34 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1p3v h ALA 21 Cb -0.08 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1p3v h ALA 21 CO -0.09 -1.09 -0.23 -0.24 0.00 0.00 0.00 179.25 177.60 1p3v h VAL 22 N -0.84 1.18 -0.05 0.00 3.04 -1.82 -2.15 116.25 115.60 1p3v h VAL 22 Ca -0.03 -0.84 -0.00 0.00 -1.01 0.00 0.00 66.70 64.83 1p3v h VAL 22 Cb 0.78 1.42 -0.00 0.00 -2.01 0.00 0.00 31.29 31.48 1p3v h VAL 22 CO -0.14 0.24 0.03 -0.74 -1.01 0.00 0.00 177.57 175.95 1p3v h HIS 23 N 0.03 0.07 -0.68 3.17 6.17 0.04 -1.62 115.15 122.34 1p3v h HIS 23 Ca 0.00 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.07 1p3v h HIS 23 Cb 0.43 -0.02 -0.03 0.00 2.52 0.00 0.00 27.41 30.30 1p3v h HIS 23 CO 0.00 0.12 0.39 -0.44 0.71 0.00 0.00 177.93 178.71 1p3v h ASP 24 N 0.01 0.83 0.14 3.26 3.32 -0.16 0.61 116.42 124.43 1p3v h ASP 24 Ca 0.02 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 1p3v h ASP 24 Cb 0.07 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1p3v h ASP 24 CO -0.00 0.65 -0.19 0.77 -1.72 0.00 0.00 179.24 178.75 1p3v h SER 25 N 0.94 0.10 -0.02 6.45 4.64 -1.01 0.19 113.55 124.83 1p3v h SER 25 Ca 0.24 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.52 1p3v h SER 25 Cb -0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1p3v h SER 25 CO -0.04 0.31 -0.06 0.58 -0.87 0.00 0.00 176.83 176.74 1p3v h VAL 26 N 0.10 1.47 -0.53 0.95 2.07 -0.23 -0.18 116.25 119.89 1p3v h VAL 26 Ca 0.02 -1.47 0.11 0.00 0.82 0.00 0.00 66.70 66.17 1p3v h VAL 26 Cb 0.41 2.40 -0.10 0.00 -1.52 0.00 0.00 31.29 32.48 1p3v h VAL 26 CO 0.03 0.39 -0.10 -0.78 0.02 0.00 0.00 177.57 177.13 1p3v h ASP 27 N -0.49 -0.44 -0.44 0.57 1.82 -0.39 0.41 116.42 117.47 1p3v h ASP 27 Ca -0.00 0.15 -0.02 0.00 -0.39 0.00 0.00 57.03 56.77 1p3v h ASP 27 Cb 0.67 0.31 -0.02 0.00 0.68 0.00 0.00 39.33 40.97 1p3v h ASP 27 CO 0.01 -0.16 0.20 0.78 -1.61 0.00 0.00 179.24 178.47 1p3v h ASN 28 N 0.02 0.59 -0.74 2.28 2.35 -0.61 -1.57 115.58 117.91 1p3v h ASN 28 Ca 0.26 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1p3v h ASN 28 Cb 0.40 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 1p3v h ASN 28 CO -0.52 0.57 0.23 0.25 -1.65 0.00 0.00 177.43 176.31 1p3v h LEU 29 N 0.57 1.08 -0.39 1.61 5.85 0.37 0.17 115.31 124.58 1p3v h LEU 29 Ca 0.15 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1p3v h LEU 29 Cb 0.14 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1p3v h LEU 29 CO -0.02 1.00 0.08 0.58 -0.34 0.00 0.00 178.44 179.74 1p3v h VAL 30 N 1.10 1.23 -0.12 1.05 2.07 -0.08 -2.74 116.25 118.76 1p3v h VAL 30 Ca 0.24 -0.81 -0.09 0.00 0.82 0.00 0.00 66.70 66.86 1p3v h VAL 30 Cb 0.30 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1p3v h VAL 30 CO -0.01 0.28 -0.33 0.24 0.02 0.00 0.00 177.57 177.77 1p3v h MET 31 N 0.48 0.25 -0.88 1.57 2.86 -0.97 -3.15 114.93 115.09 1p3v h MET 31 Ca 0.12 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1p3v h MET 31 Cb 0.33 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.93 1p3v h MET 31 CO 0.00 0.55 0.58 0.77 1.06 0.00 0.00 176.91 179.88 1p3v h SER 32 N 0.21 0.95 -0.20 1.22 0.02 -0.36 -2.69 113.55 112.71 1p3v h SER 32 Ca 0.03 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1p3v h SER 32 Cb 0.69 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1p3v h SER 32 CO 0.05 0.65 0.00 1.33 -1.14 0.00 0.00 176.83 177.73 1p3v n VAL 33 N -4.44 0.41 -3.56 2.27 0.24 -1.13 -4.96 118.33 107.16 1p3v n VAL 33 Ca 0.12 -0.31 -0.21 0.00 -2.04 0.00 0.00 64.34 61.90 1p3v n VAL 33 Cb 0.10 -0.01 0.01 0.00 -1.47 0.00 0.00 33.84 32.46 1p3v n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1p3v n GLN 34 N 0.12 -1.60 -0.10 7.34 1.13 -1.02 -4.92 117.38 118.35 1p3v n GLN 34 Ca 0.07 1.08 -0.09 0.00 -1.94 0.00 0.00 57.00 56.11 1p3v n GLN 34 Cb 0.27 -3.13 -0.02 0.00 0.11 0.00 0.00 30.24 27.47 1p3v n GLN 34 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1p3v h PRO 35 N 0.33 0.45 -0.53 -1.09 0.11 -1.83 -3.11 132.00 126.33 1p3v h PRO 35 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1p3v h PRO 35 Cb 1.30 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1p3v h PRO 35 CO 0.33 0.38 0.00 1.19 -0.21 0.00 0.00 178.00 179.69 1p3v n PHE 36 N -4.79 1.69 -0.05 0.65 3.01 -1.26 -1.74 117.46 114.97 1p3v n PHE 36 Ca -0.01 -0.72 -0.13 0.00 1.01 0.00 0.00 57.45 57.60 1p3v n PHE 36 Cb 0.08 -0.40 -0.08 0.00 -0.01 0.00 0.00 39.48 39.08 1p3v n PHE 36 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 1p3v h VAL 37 N 3.59 1.35 -4.55 -4.37 3.04 -1.91 -3.47 116.25 109.92 1p3v h VAL 37 Ca 0.00 -1.23 -0.43 0.00 -1.01 0.00 0.00 66.70 64.03 1p3v h VAL 37 Cb 1.72 1.91 -0.11 0.00 -2.01 0.00 0.00 31.29 32.80 1p3v h VAL 37 CO 0.37 0.35 -0.42 -1.54 -1.01 0.00 0.00 177.57 175.32 1p3v n SER 38 N -4.64 -0.64 -0.03 3.17 3.41 -1.26 -5.08 113.62 108.55 1p3v n SER 38 Ca -0.07 -2.96 -0.13 0.00 -0.26 0.00 0.00 58.87 55.45 1p3v n SER 38 Cb 0.32 1.51 -0.10 0.00 -0.26 0.00 0.00 64.21 65.68 1p3v n SER 38 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1p3v h LYS 39 N 0.00 0.06 -0.34 4.33 3.64 -1.91 -2.71 116.57 119.63 1p3v h LYS 39 Ca -0.21 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.20 1p3v h LYS 39 Cb 1.07 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.81 1p3v h LYS 39 CO 0.31 0.63 -0.35 0.93 -2.27 0.00 0.00 179.45 178.70 1p3v h GLU 40 N -0.51 -0.29 -0.83 1.90 5.08 -1.98 -0.09 114.58 117.85 1p3v h GLU 40 Ca -0.00 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.50 1p3v h GLU 40 Cb 0.64 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.89 1p3v h GLU 40 CO 0.01 -0.19 0.54 -0.91 -1.00 0.00 0.00 179.01 177.45 1p3v h ASN 41 N -0.30 0.64 0.94 1.42 4.21 -1.82 0.13 115.58 120.79 1p3v h ASN 41 Ca 0.15 0.03 -0.09 0.00 1.21 0.00 0.00 56.30 57.60 1p3v h ASN 41 Cb 0.55 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.64 1p3v h ASN 41 CO -0.51 0.36 -0.41 0.22 -1.29 0.00 0.00 177.43 175.79 1p3v h TYR 42 N 0.69 0.00 -0.17 1.19 3.20 -0.31 -0.94 116.97 120.62 1p3v h TYR 42 Ca 0.40 0.00 -0.22 0.00 3.14 0.00 0.00 58.73 62.05 1p3v h TYR 42 Cb 0.58 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.86 1p3v h TYR 42 CO -0.00 0.41 -0.75 0.82 -1.64 0.00 0.00 178.16 177.00 1p3v h ILE 43 N 0.00 1.27 -0.25 1.81 2.04 0.93 -1.75 117.51 121.56 1p3v h ILE 43 Ca -0.00 -1.94 -0.08 0.00 1.00 0.00 0.00 64.86 63.84 1p3v h ILE 43 Cb 1.00 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.99 1p3v h ILE 43 CO 0.05 0.62 -0.19 0.11 0.00 0.00 0.00 178.15 178.74 1p3v h LYS 44 N 0.56 0.44 -0.17 2.37 1.57 -0.88 -1.12 116.57 119.34 1p3v h LYS 44 Ca -0.04 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.53 1p3v h LYS 44 Cb 1.38 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 1p3v h LYS 44 CO 0.16 0.61 -0.21 0.35 -0.57 0.00 0.00 179.45 179.79 1p3v h PHE 45 N 0.40 0.31 0.00 -1.35 3.57 -0.93 -2.17 116.94 116.77 1p3v h PHE 45 Ca 0.07 -0.05 -0.21 0.00 3.53 0.00 0.00 57.97 61.31 1p3v h PHE 45 Cb 0.56 -0.08 0.02 0.00 2.79 0.00 0.00 35.95 39.23 1p3v h PHE 45 CO 0.02 0.48 -0.82 -0.07 -2.23 0.00 0.00 178.31 175.69 1p3v h LEU 46 N 0.26 0.71 -0.46 0.59 3.38 -0.57 -2.19 115.31 117.04 1p3v h LEU 46 Ca 0.05 -0.75 0.08 0.00 0.09 0.00 0.00 57.88 57.35 1p3v h LEU 46 Cb 0.52 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 1p3v h LEU 46 CO 0.03 1.38 0.04 0.11 0.09 0.00 0.00 178.44 180.09 1p3v h LYS 47 N 0.13 0.15 0.16 1.13 1.57 -1.01 0.36 116.57 119.07 1p3v h LYS 47 Ca -0.10 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1p3v h LYS 47 Cb 1.50 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.75 1p3v h LYS 47 CO 0.16 0.10 -0.30 1.25 -0.57 0.00 0.00 179.45 180.09 1p3v h LEU 48 N 0.16 -0.85 -1.43 2.94 5.85 -1.40 -0.35 115.31 120.23 1p3v h LEU 48 Ca 0.23 0.09 0.09 0.00 0.84 0.00 0.00 57.88 59.13 1p3v h LEU 48 Cb 0.33 0.31 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 1p3v h LEU 48 CO -0.35 -0.40 0.47 1.56 -0.34 0.00 0.00 178.44 179.39 1p3v h GLN 49 N -0.55 0.63 0.01 1.25 1.08 -0.70 -1.28 115.11 115.56 1p3v h GLN 49 Ca 0.02 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1p3v h GLN 49 Cb 0.55 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1p3v h GLN 49 CO -0.15 0.42 -0.00 1.03 -0.95 0.00 0.00 178.83 179.18 1p3v h SER 50 N 0.65 -0.01 -0.20 1.46 0.87 0.45 -0.27 113.55 116.51 1p3v h SER 50 Ca 0.33 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 1p3v h SER 50 Cb 0.41 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 1p3v h SER 50 CO -0.11 0.07 0.04 0.58 -0.53 0.00 0.00 176.83 176.87 1p3v h VAL 51 N -0.09 1.22 -0.00 2.23 2.07 -0.25 -0.15 116.25 121.28 1p3v h VAL 51 Ca -0.00 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1p3v h VAL 51 Cb 0.09 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1p3v h VAL 51 CO 0.00 0.22 0.00 0.15 0.02 0.00 0.00 177.57 177.96 1p3v h PHE 52 N 0.13 0.00 0.00 1.57 3.57 -1.22 -1.43 116.94 119.56 1p3v h PHE 52 Ca 0.06 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 1p3v h PHE 52 Cb 0.30 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1p3v h PHE 52 CO 0.02 0.00 -0.24 0.45 -2.23 0.00 0.00 178.31 176.31 1p3v h HIS 53 N 0.00 0.00 -0.31 0.41 3.86 -0.99 -1.92 115.15 116.19 1p3v h HIS 53 Ca 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1p3v h HIS 53 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1p3v h HIS 53 CO -0.08 0.24 -0.00 -0.22 0.86 0.00 0.00 177.93 178.73 1p3v h LYS 54 N 0.00 0.55 0.00 2.45 1.63 -0.73 -2.01 116.57 118.46 1p3v h LYS 54 Ca -0.00 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 1p3v h LYS 54 Cb 0.50 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 1p3v h LYS 54 CO 0.03 0.69 0.00 0.00 -3.45 0.00 0.00 179.45 176.72 1p3v n ALA 55 N -2.37 1.16 0.12 5.00 0.00 -0.56 -2.17 120.51 121.68 1p3v n ALA 55 Ca -0.02 0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.56 1p3v n ALA 55 Cb 0.26 -1.25 0.01 0.00 0.00 0.00 0.00 19.45 18.47 1p3v n ALA 55 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1p3v n VAL 56 N -2.05 0.00 -0.23 0.00 0.24 -1.06 -4.70 118.33 110.54 1p3v n VAL 56 Ca -0.00 -0.49 -0.03 0.00 -2.04 0.00 0.00 64.34 61.78 1p3v n VAL 56 Cb 0.06 1.05 0.08 0.00 -1.47 0.00 0.00 33.84 33.56 1p3v n VAL 56 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1p3v h ASP 57 N 0.45 0.59 0.63 -1.34 -0.00 -0.86 0.59 116.42 116.47 1p3v h ASP 57 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.03 57.05 1p3v h ASP 57 Cb 0.10 -0.10 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 1p3v h ASP 57 CO 0.00 0.39 0.00 1.12 -0.00 0.00 0.00 179.24 180.75 1p3v h HIS 58 N 0.72 0.00 0.07 0.28 2.07 -1.85 -2.11 115.15 114.34 1p3v h HIS 58 Ca 0.28 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.50 1p3v h HIS 58 Cb 0.11 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.07 1p3v h HIS 58 CO -0.07 0.00 -1.58 0.82 -3.07 0.00 0.00 177.93 174.03 1p3v h ILE 59 N 0.00 1.06 0.00 6.12 2.04 -1.24 -2.10 117.51 123.39 1p3v h ILE 59 Ca 0.00 -2.78 -0.07 0.00 1.00 0.00 0.00 64.86 63.00 1p3v h ILE 59 Cb 0.31 2.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 1p3v h ILE 59 CO 0.00 0.75 -0.36 1.88 0.00 0.00 0.00 178.15 180.43 1p3v h TYR 60 N 0.04 0.00 -0.07 1.37 -1.99 -0.94 -3.06 116.97 112.33 1p3v h TYR 60 Ca -0.25 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.48 1p3v h TYR 60 Cb 1.99 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.72 1p3v h TYR 60 CO 0.04 0.36 0.00 1.63 -0.00 0.00 0.00 178.16 180.19 1p3v n LYS 61 N -3.53 2.17 -1.73 4.88 5.02 -0.82 -1.90 118.16 122.24 1p3v n LYS 61 Ca -0.00 -1.70 -0.42 0.00 -2.02 0.00 0.00 58.31 54.16 1p3v n LYS 61 Cb 0.50 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 1p3v n LYS 61 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1p3v s ASP 62 N -1.93 6.43 0.18 4.39 -1.08 -0.79 -4.90 116.67 118.97 1p3v s ASP 62 Ca 0.32 2.76 -0.13 0.00 -0.52 0.00 0.00 52.55 54.97 1p3v s ASP 62 Cb 0.20 -2.57 0.18 0.00 -1.46 0.00 0.00 42.92 39.27 1p3v s ASP 62 CO 0.31 -0.99 1.72 0.00 0.52 0.00 0.00 175.17 176.73 1p3v h ALA 63 N 8.30 0.55 0.22 3.66 0.00 -1.92 -0.08 119.26 129.99 1p3v h ALA 63 Ca -0.45 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1p3v h ALA 63 Cb 1.21 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1p3v h ALA 63 CO 0.95 -0.30 -0.11 1.49 0.00 0.00 0.00 179.25 181.28 1p3v h GLU 64 N 0.24 -0.29 -0.07 0.00 4.81 -1.99 -2.30 114.58 114.99 1p3v h GLU 64 Ca 0.24 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.51 1p3v h GLU 64 Cb 0.32 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 1p3v h GLU 64 CO -0.31 -0.08 0.06 -0.07 -0.73 0.00 0.00 179.01 177.88 1p3v h LEU 65 N -0.44 0.00 -0.37 1.64 3.38 -1.87 0.36 115.31 118.01 1p3v h LEU 65 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1p3v h LEU 65 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1p3v h LEU 65 CO 0.05 0.00 0.00 0.78 0.09 0.00 0.00 178.44 179.36 1p3v h ASN 66 N 0.00 0.00 0.40 -0.43 2.35 -0.65 0.66 115.58 117.91 1p3v h ASN 66 Ca 0.03 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.47 1p3v h ASN 66 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1p3v h ASN 66 CO -0.00 0.00 -1.53 0.11 -1.65 0.00 0.00 177.43 174.36 1p3v h LYS 67 N 0.00 0.32 0.00 0.81 1.79 0.22 -3.30 116.57 116.41 1p3v h LYS 67 Ca 0.00 -0.55 -0.20 0.00 -2.18 0.00 0.00 60.65 57.72 1p3v h LYS 67 Cb 0.63 0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 31.46 1p3v h LYS 67 CO 0.00 1.21 -0.98 0.00 -1.08 0.00 0.00 179.45 178.61 1p3v h ALA 68 N 0.39 0.42 -3.13 3.86 0.00 -0.90 -3.41 119.26 116.48 1p3v h ALA 68 Ca -0.25 -0.88 -0.61 0.00 0.00 0.00 0.00 54.91 53.17 1p3v h ALA 68 Cb 2.05 -0.11 -0.40 0.00 0.00 0.00 0.00 17.79 19.33 1p3v h ALA 68 CO 0.19 1.19 -0.74 0.42 0.00 0.00 0.00 179.25 180.30 1p3v s ILE 69 N -2.74 1.31 -0.15 0.00 1.01 0.23 -4.94 121.20 115.92 1p3v s ILE 69 Ca 0.01 -2.10 -0.39 0.00 0.00 0.00 0.00 60.65 58.17 1p3v s ILE 69 Cb 0.10 -1.95 -0.17 0.00 0.01 0.00 0.00 42.46 40.45 1p3v s ILE 69 CO 0.81 -0.78 1.55 -0.81 0.00 0.00 0.00 174.94 175.71 1p3v n PRO 70 N 4.11 1.01 -1.17 2.79 -0.04 -1.24 -1.20 135.00 139.26 1p3v n PRO 70 Ca 0.04 0.37 -0.06 0.00 -0.04 0.00 0.00 63.50 63.81 1p3v n PRO 70 Cb 0.38 -2.01 -0.02 0.00 -0.04 0.00 0.00 33.50 31.80 1p3v n PRO 70 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1p3v n GLU 71 N 4.05 -1.03 -0.27 0.54 -0.58 -1.26 -4.88 120.64 117.21 1p3v n GLU 71 Ca 0.24 0.59 0.08 0.00 -0.42 0.00 0.00 57.16 57.65 1p3v n GLU 71 Cb 0.14 -4.54 0.22 0.00 -0.57 0.00 0.00 31.44 26.69 1p3v n GLU 71 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1p3v h LEU 72 N 0.00 0.10 -2.08 -4.62 5.85 -1.43 0.13 115.31 113.26 1p3v h LEU 72 Ca -0.12 0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.85 1p3v h LEU 72 Cb 0.69 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1p3v h LEU 72 CO 0.17 -0.03 0.33 1.05 -0.34 0.00 0.00 178.44 179.62 1p3v h GLU 73 N 0.31 0.00 -0.13 1.25 4.11 -1.65 0.14 114.58 118.60 1p3v h GLU 73 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.89 1p3v h GLU 73 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1p3v h GLU 73 CO -0.52 0.00 0.00 0.66 0.07 0.00 0.00 179.01 179.22 1p3v n TYR 74 N -3.85 0.16 0.56 2.06 0.53 0.47 -3.51 117.16 113.58 1p3v n TYR 74 Ca 0.05 -0.08 0.11 0.00 -1.02 0.00 0.00 57.90 56.97 1p3v n TYR 74 Cb 0.49 0.00 0.07 0.00 -1.03 0.00 0.00 39.34 38.87 1p3v n TYR 74 CO 0.00 0.00 0.00 -1.33 -1.02 0.00 0.00 176.86 174.51 1p3v n MET 75 N 0.14 0.29 -1.67 -0.72 2.81 0.48 -4.94 117.12 113.52 1p3v n MET 75 Ca 0.16 0.03 -0.40 0.00 -1.81 0.00 0.00 57.70 55.68 1p3v n MET 75 Cb 0.29 -1.63 0.03 0.00 -0.71 0.00 0.00 33.22 31.21 1p3v n MET 75 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1p3v n ALA 76 N -1.83 0.82 -0.12 3.04 0.00 -1.23 -4.93 120.51 116.25 1p3v n ALA 76 Ca 0.02 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1p3v n ALA 76 Cb 0.44 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1p3v n ALA 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1p3v n ARG 77 N -0.41 0.79 -0.27 0.00 1.74 -1.26 -4.67 116.66 112.58 1p3v n ARG 77 Ca 0.10 -0.89 -0.06 0.00 -0.77 0.00 0.00 57.85 56.23 1p3v n ARG 77 Cb 0.42 -0.94 0.06 0.00 -1.02 0.00 0.00 32.46 30.98 1p3v n ARG 77 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1p3v h TYR 78 N 0.00 1.09 -0.29 -1.55 3.20 -1.92 -1.24 116.97 116.26 1p3v h TYR 78 Ca 0.00 -0.07 0.07 0.00 3.14 0.00 0.00 58.73 61.87 1p3v h TYR 78 Cb 0.30 -0.33 -0.07 0.00 1.54 0.00 0.00 36.73 38.16 1p3v h TYR 78 CO 0.00 0.82 -0.17 -0.44 -1.64 0.00 0.00 178.16 176.73 1p3v h ASP 79 N 1.05 -0.58 -0.39 -2.11 5.19 -1.95 -0.61 116.42 117.03 1p3v h ASP 79 Ca 0.25 0.13 -0.04 0.00 -0.62 0.00 0.00 57.03 56.74 1p3v h ASP 79 Cb 0.16 0.30 -0.02 0.00 0.18 0.00 0.00 39.33 39.95 1p3v h ASP 79 CO -0.03 -0.21 0.11 0.00 -3.12 0.00 0.00 179.24 175.99 1p3v h ALA 80 N 1.05 1.34 -0.50 3.45 0.00 -1.76 -2.26 119.26 120.58 1p3v h ALA 80 Ca 0.15 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1p3v h ALA 80 Cb 0.38 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1p3v h ALA 80 CO -0.38 0.47 -0.04 0.28 0.00 0.00 0.00 179.25 179.58 1p3v h VAL 81 N 0.67 1.25 -0.16 0.00 2.07 -0.18 -0.24 116.25 119.66 1p3v h VAL 81 Ca 0.15 -1.11 -0.08 0.00 0.82 0.00 0.00 66.70 66.48 1p3v h VAL 81 Cb 0.25 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1p3v h VAL 81 CO -0.00 0.39 -0.28 0.71 0.02 0.00 0.00 177.57 178.41 1p3v h THR 82 N 0.80 1.26 -0.35 2.57 1.35 -0.77 -1.72 112.91 116.04 1p3v h THR 82 Ca 0.14 -1.22 -0.13 0.00 -0.55 0.00 0.00 66.41 64.66 1p3v h THR 82 Cb 0.53 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.39 1p3v h THR 82 CO 0.03 0.37 -0.27 -0.61 -0.25 0.00 0.00 175.52 174.79 1p3v h GLN 83 N 0.27 0.81 -0.63 4.72 5.75 -0.81 -2.55 115.11 122.65 1p3v h GLN 83 Ca 0.04 -0.40 -0.03 0.00 -0.15 0.00 0.00 58.65 58.12 1p3v h GLN 83 Cb 0.63 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.15 1p3v h GLN 83 CO 0.05 1.03 0.29 -0.44 -2.65 0.00 0.00 178.83 177.10 1p3v h ASP 84 N 0.59 0.85 -0.61 -0.69 3.32 -0.66 -1.53 116.42 117.69 1p3v h ASP 84 Ca 0.07 -0.15 0.02 0.00 0.02 0.00 0.00 57.03 56.99 1p3v h ASP 84 Cb 0.84 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.14 1p3v h ASP 84 CO 0.07 0.76 0.38 -0.07 -1.72 0.00 0.00 179.24 178.66 1p3v h LEU 85 N 0.88 0.64 0.02 1.55 3.38 -1.28 -2.17 115.31 118.33 1p3v h LEU 85 Ca 0.22 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.21 1p3v h LEU 85 Cb 0.15 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1p3v h LEU 85 CO -0.02 0.46 -0.37 0.50 0.09 0.00 0.00 178.44 179.09 1p3v h LYS 86 N 0.77 -0.52 -0.68 1.13 3.64 -1.06 -1.37 116.57 118.48 1p3v h LYS 86 Ca 0.24 0.04 0.20 0.00 -1.27 0.00 0.00 60.65 59.85 1p3v h LYS 86 Cb -0.02 0.12 -0.13 0.00 -0.41 0.00 0.00 32.23 31.79 1p3v h LYS 86 CO -0.08 -0.35 0.07 -0.25 -2.27 0.00 0.00 179.45 176.58 1p3v n ASP 87 N -5.44 -0.03 -2.68 4.20 9.92 -0.61 0.20 116.55 122.12 1p3v n ASP 87 Ca -0.06 1.15 -0.38 0.00 -0.53 0.00 0.00 54.79 54.98 1p3v n ASP 87 Cb 0.35 -0.44 0.05 0.00 -0.64 0.00 0.00 41.12 40.44 1p3v n ASP 87 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1p3v n LEU 88 N -4.85 7.59 -4.11 0.64 4.77 -0.83 -4.88 117.00 115.33 1p3v n LEU 88 Ca 0.18 -4.61 -0.31 0.00 -0.03 0.00 0.00 56.01 51.24 1p3v n LEU 88 Cb 0.58 -1.04 -0.05 0.00 -2.33 0.00 0.00 43.42 40.59 1p3v n LEU 88 CO -0.04 1.64 -0.32 0.61 -1.33 0.00 0.00 177.39 177.95 1p3v n GLY 89 N -0.66 -0.31 3.13 -0.72 0.00 0.13 -4.95 105.19 101.81 1p3v n GLY 89 Ca 0.57 0.21 -0.21 0.00 0.00 0.00 0.00 46.02 46.58 1p3v n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p3v s GLU 90 N -6.98 1.05 0.31 1.61 0.41 -0.58 -5.02 118.70 109.50 1p3v s GLU 90 Ca 0.09 -0.63 -0.16 0.00 -0.41 0.00 0.00 54.97 53.87 1p3v s GLU 90 Cb -0.05 -1.04 -0.09 0.00 -1.78 0.00 0.00 34.13 31.18 1p3v s GLU 90 CO 0.94 0.27 0.74 -1.21 -0.49 0.00 0.00 175.26 175.51 1p3v s GLU 91 N -0.72 4.05 -0.46 1.61 8.01 -1.26 -3.19 118.70 126.73 1p3v s GLU 91 Ca 0.04 0.71 -0.29 0.00 0.01 0.00 0.00 54.97 55.43 1p3v s GLU 91 Cb -0.07 -2.50 -0.09 0.00 -4.31 0.00 0.00 34.13 27.16 1p3v s GLU 91 CO 0.00 0.19 2.36 -2.30 0.01 0.00 0.00 175.26 175.53 1p3v n PRO 92 N -0.19 1.12 -1.09 0.39 -0.02 -1.26 -4.83 135.00 129.12 1p3v n PRO 92 Ca 0.03 0.17 -0.35 0.00 -2.02 0.00 0.00 63.50 61.33 1p3v n PRO 92 Cb 0.53 -2.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 1p3v n PRO 92 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1p3v n TYR 93 N 13.06 -1.94 -4.26 6.00 9.36 -1.26 -4.97 117.16 133.15 1p3v n TYR 93 Ca 0.40 0.49 -0.29 0.00 3.32 0.00 0.00 57.90 61.83 1p3v n TYR 93 Cb 0.39 -1.48 -0.17 0.00 -0.63 0.00 0.00 39.34 37.45 1p3v n TYR 93 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1p3v s LYS 94 N -0.85 2.13 0.44 2.98 2.20 -1.26 -4.95 119.74 120.44 1p3v s LYS 94 Ca 0.50 -0.51 -0.21 0.00 -0.36 0.00 0.00 55.97 55.38 1p3v s LYS 94 Cb -0.51 -1.89 -0.09 0.00 -1.51 0.00 0.00 37.83 33.83 1p3v s LYS 94 CO 0.54 -0.14 1.01 0.12 -0.36 0.00 0.00 175.35 176.52 1p3v s PHE 95 N 1.21 3.17 0.01 4.03 5.36 -1.26 -5.01 117.98 125.49 1p3v s PHE 95 Ca -0.02 1.61 -0.10 0.00 -0.96 0.00 0.00 56.93 57.46 1p3v s PHE 95 Cb -0.14 -3.01 -0.06 0.00 -0.34 0.00 0.00 43.02 39.47 1p3v s PHE 95 CO -0.05 -0.54 0.87 -0.44 -1.46 0.00 0.00 175.22 173.60 1p3v h ASP 96 N 1.92 -0.31 -1.86 6.13 5.19 -2.04 -3.46 116.42 121.99 1p3v h ASP 96 Ca -0.49 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 55.89 1p3v h ASP 96 Cb 1.21 0.08 0.02 0.00 0.18 0.00 0.00 39.33 40.82 1p3v h ASP 96 CO 0.60 -0.17 0.02 2.29 -3.12 0.00 0.00 179.24 178.87 1p3v n LYS 97 N -3.30 -0.79 -3.46 3.56 0.00 -1.26 -5.02 118.16 107.90 1p3v n LYS 97 Ca -0.05 -0.17 -0.37 0.00 -0.00 0.00 0.00 58.31 57.72 1p3v n LYS 97 Cb 0.15 -0.14 -0.06 0.00 -0.00 0.00 0.00 35.03 34.97 1p3v n LYS 97 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1p3v s GLU 98 N -3.24 4.21 0.61 -1.58 2.12 -1.26 -5.06 118.70 114.50 1p3v s GLU 98 Ca 0.07 0.27 -0.17 0.00 0.36 0.00 0.00 54.97 55.50 1p3v s GLU 98 Cb -0.00 -3.39 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 1p3v s GLU 98 CO 0.05 0.30 1.13 -0.51 -0.54 0.00 0.00 175.26 175.68 1p3v s LEU 99 N 0.24 3.54 0.57 2.70 1.43 -1.26 -5.00 118.68 120.90 1p3v s LEU 99 Ca 0.21 2.11 -0.20 0.00 -1.03 0.00 0.00 54.13 55.22 1p3v s LEU 99 Cb -0.14 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.47 1p3v s LEU 99 CO 0.08 -1.51 1.23 -2.84 0.23 0.00 0.00 176.35 173.54 1p3v s PRO 100 N -3.73 3.08 -0.39 1.29 0.02 -1.26 -4.95 135.00 129.06 1p3v s PRO 100 Ca 0.70 1.90 0.09 0.00 0.02 0.00 0.00 61.00 63.72 1p3v s PRO 100 Cb -0.23 -2.04 0.29 0.00 0.02 0.00 0.00 34.50 32.54 1p3v s PRO 100 CO 0.36 -1.14 0.64 0.98 -0.33 0.00 0.00 177.00 177.50 1p3v n TYR 101 N -1.37 -0.42 -1.13 6.54 9.36 -1.26 -4.77 117.16 124.12 1p3v n TYR 101 Ca 0.12 -3.51 -0.32 0.00 3.32 0.00 0.00 57.90 57.52 1p3v n TYR 101 Cb 0.49 -0.20 0.12 0.00 -0.63 0.00 0.00 39.34 39.11 1p3v n TYR 101 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1p3v s GLU 102 N -1.49 1.82 0.31 2.98 2.56 -1.26 -5.07 118.70 118.55 1p3v s GLU 102 Ca 0.36 1.45 -0.10 0.00 0.00 0.00 0.00 54.97 56.69 1p3v s GLU 102 Cb 0.24 -1.83 0.01 0.00 2.00 0.00 0.00 34.13 34.56 1p3v s GLU 102 CO -0.10 -2.02 0.54 0.00 -0.56 0.00 0.00 175.26 173.12 1p3v s ALA 103 N -2.57 0.04 0.00 6.30 0.00 -1.26 -4.79 121.76 119.47 1p3v s ALA 103 Ca 0.66 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1p3v s ALA 103 Cb -0.22 1.03 0.00 0.00 0.00 0.00 0.00 23.12 23.93 1p3v s ALA 103 CO 0.53 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1p3v n GLY 104 N -0.48 0.34 0.09 0.00 0.00 -1.26 -3.13 105.19 100.75 1p3v n GLY 104 Ca -0.02 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 1p3v n GLY 104 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1p3v h ASN 105 N 8.53 -0.13 -0.97 1.61 2.35 -1.93 -2.58 115.58 122.46 1p3v h ASN 105 Ca 0.00 0.03 0.20 0.00 -0.55 0.00 0.00 56.30 55.97 1p3v h ASN 105 Cb 0.00 0.06 -0.11 0.00 0.05 0.00 0.00 38.32 38.32 1p3v h ASN 105 CO 0.00 -0.06 0.55 0.11 -1.65 0.00 0.00 177.43 176.38 1p3v h LYS 106 N -0.06 0.64 -0.04 0.81 1.57 -1.68 0.19 116.57 118.01 1p3v h LYS 106 Ca 0.03 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1p3v h LYS 106 Cb 0.10 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1p3v h LYS 106 CO -0.07 0.42 0.03 0.00 -0.57 0.00 0.00 179.45 179.26 1p3v h ALA 107 N 1.66 1.84 -0.06 3.86 0.00 -1.40 0.78 119.26 125.94 1p3v h ALA 107 Ca 0.57 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.40 1p3v h ALA 107 Cb 0.95 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1p3v h ALA 107 CO -0.42 -0.05 -0.32 0.82 0.00 0.00 0.00 179.25 179.29 1p3v h ILE 108 N 0.00 1.25 -0.22 0.00 2.04 -0.59 -2.11 117.51 117.87 1p3v h ILE 108 Ca 0.02 -1.19 -0.12 0.00 1.00 0.00 0.00 64.86 64.57 1p3v h ILE 108 Cb 0.08 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1p3v h ILE 108 CO -0.00 0.35 -0.36 1.23 0.00 0.00 0.00 178.15 179.37 1p3v h GLY 109 N 1.03 0.53 1.17 5.37 0.00 -0.83 -2.17 103.07 108.17 1p3v h GLY 109 Ca 0.01 -0.50 -0.14 0.00 0.00 0.00 0.00 47.33 46.70 1p3v h GLY 109 CO 0.04 0.45 -0.30 1.49 0.00 0.00 0.00 176.54 178.22 1p3v h TRP 110 N 0.41 1.09 -0.20 5.60 4.06 -1.22 -2.27 115.95 123.42 1p3v h TRP 110 Ca 0.04 -0.29 -0.00 0.00 2.06 0.00 0.00 58.89 60.70 1p3v h TRP 110 Cb 0.83 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.73 1p3v h TRP 110 CO 0.03 1.11 0.11 1.25 -3.56 0.00 0.00 178.44 177.37 1p3v h LEU 111 N 0.78 0.25 -0.06 -4.49 5.85 -1.26 0.17 115.31 116.55 1p3v h LEU 111 Ca 0.08 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1p3v h LEU 111 Cb 0.88 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1p3v h LEU 111 CO 0.08 0.26 -0.07 0.22 -0.34 0.00 0.00 178.44 178.59 1p3v h TYR 112 N 0.22 -0.17 -0.52 1.25 3.20 -1.34 0.61 116.97 120.21 1p3v h TYR 112 Ca 0.07 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.05 1p3v h TYR 112 Cb 0.06 0.09 -0.08 0.00 1.54 0.00 0.00 36.73 38.34 1p3v h TYR 112 CO -0.04 -0.11 0.07 0.00 -1.64 0.00 0.00 178.16 176.44 1p3v h ALA 114 N 1.43 -0.13 -0.20 0.00 0.00 0.03 -2.79 119.26 117.60 1p3v h ALA 114 Ca 0.27 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1p3v h ALA 114 Cb 0.39 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1p3v h ALA 114 CO -0.38 -0.38 -0.18 1.49 0.00 0.00 0.00 179.25 179.80 1p3v h GLU 115 N -0.52 0.34 -0.34 0.00 4.57 0.49 -2.45 114.58 116.67 1p3v h GLU 115 Ca -0.01 -0.10 -0.10 0.00 -1.18 0.00 0.00 59.36 57.97 1p3v h GLU 115 Cb 0.43 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1p3v h GLU 115 CO 0.02 0.51 -0.20 0.78 -1.18 0.00 0.00 179.01 178.94 1p3v h GLY 116 N 0.90 0.70 2.00 1.92 0.00 -0.55 -2.57 103.07 105.47 1p3v h GLY 116 Ca 0.06 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1p3v h GLY 116 CO 0.03 0.52 0.00 1.48 0.00 0.00 0.00 176.54 178.57 1p3v h SER 117 N 0.57 0.00 1.21 0.19 4.64 -1.14 0.45 113.55 119.46 1p3v h SER 117 Ca 0.09 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.25 1p3v h SER 117 Cb 0.66 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.73 1p3v h SER 117 CO 0.05 0.00 -0.80 -1.13 -0.87 0.00 0.00 176.83 174.07 1p3v h ASN 118 N 0.00 0.00 0.44 4.97 -1.24 -1.49 -2.33 115.58 115.93 1p3v h ASN 118 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 1p3v h ASN 118 Cb 0.01 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.06 1p3v h ASN 118 CO 0.00 0.75 -0.21 0.25 -1.29 0.00 0.00 177.43 176.93 1p3v h LEU 119 N 0.00 -0.51 0.00 0.34 6.46 -0.11 -3.24 115.31 118.26 1p3v h LEU 119 Ca -0.02 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1p3v h LEU 119 Cb 1.59 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 41.65 1p3v h LEU 119 CO 0.09 -0.32 0.00 0.61 -0.62 0.00 0.00 178.44 178.21 1p3v n GLY 120 N -0.79 -0.95 0.00 3.75 0.00 -1.04 -3.85 105.19 102.30 1p3v n GLY 120 Ca -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1p3v n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p3v n ALA 121 N -1.11 0.90 -0.14 4.61 0.00 -0.88 -2.84 120.51 121.05 1p3v n ALA 121 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.56 1p3v n ALA 121 Cb 0.13 -0.85 0.01 0.00 0.00 0.00 0.00 19.45 18.75 1p3v n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p3v h ALA 122 N 1.70 0.09 -0.20 0.00 0.00 -1.81 0.12 119.26 119.18 1p3v h ALA 122 Ca 0.00 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1p3v h ALA 122 Cb 0.13 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1p3v h ALA 122 CO 0.00 -0.57 -0.15 0.35 0.00 0.00 0.00 179.25 178.88 1p3v h PHE 123 N -0.13 -0.36 -0.16 0.00 3.57 -1.89 -0.65 116.94 117.32 1p3v h PHE 123 Ca 0.21 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1p3v h PHE 123 Cb 0.46 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 1p3v h PHE 123 CO -0.48 -0.21 0.09 -0.07 -2.23 0.00 0.00 178.31 175.41 1p3v h LEU 124 N -0.15 0.15 -0.91 0.59 3.38 -1.59 -2.48 115.31 114.30 1p3v h LEU 124 Ca 0.12 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.19 1p3v h LEU 124 Cb 0.32 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 1p3v h LEU 124 CO -0.29 0.11 0.55 0.15 0.09 0.00 0.00 178.44 179.06 1p3v h PHE 125 N 0.19 1.00 -0.88 1.13 3.57 -0.34 -0.18 116.94 121.43 1p3v h PHE 125 Ca 0.06 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1p3v h PHE 125 Cb -0.01 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.38 1p3v h PHE 125 CO -0.08 0.41 0.52 -0.22 -2.23 0.00 0.00 178.31 176.71 1p3v h LYS 126 N 0.90 1.20 0.00 1.11 3.64 -0.70 -2.13 116.57 120.60 1p3v h LYS 126 Ca 0.44 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1p3v h LYS 126 Cb 0.41 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1p3v h LYS 126 CO -0.25 0.85 -0.35 0.45 -2.27 0.00 0.00 179.45 177.88 1p3v h HIS 127 N 1.22 0.00 0.03 1.91 3.86 -0.88 -3.29 115.15 118.00 1p3v h HIS 127 Ca 0.32 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.30 1p3v h HIS 127 Cb -0.03 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 1p3v h HIS 127 CO 0.01 0.00 -1.03 0.00 0.86 0.00 0.00 177.93 177.77 1p3v h ALA 128 N 2.07 0.33 0.00 2.45 0.00 -0.72 -3.22 119.26 120.17 1p3v h ALA 128 Ca 0.00 -0.87 -0.05 0.00 0.00 0.00 0.00 54.91 53.98 1p3v h ALA 128 Cb 0.97 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1p3v h ALA 128 CO 0.00 1.14 -0.25 1.96 0.00 0.00 0.00 179.25 182.10 1p3v h GLN 129 N 0.03 0.00 -0.02 0.00 4.20 -1.34 -2.32 115.11 115.66 1p3v h GLN 129 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1p3v h GLN 129 Cb 1.77 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.55 1p3v h GLN 129 CO 0.15 0.25 0.01 0.87 -0.67 0.00 0.00 178.83 179.43 1p3v h LYS 130 N 0.00 0.03 -0.05 1.46 1.57 -1.66 -1.45 116.57 116.46 1p3v h LYS 130 Ca -0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1p3v h LYS 130 Cb 0.53 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1p3v h LYS 130 CO 0.03 0.04 0.00 1.28 -0.57 0.00 0.00 179.45 180.23 1p3v n LEU 131 N -5.06 0.05 -0.85 2.94 4.77 -0.90 -4.74 117.00 113.21 1p3v n LEU 131 Ca -0.07 -0.03 -0.06 0.00 -0.03 0.00 0.00 56.01 55.83 1p3v n LEU 131 Cb 0.04 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1p3v n LEU 131 CO 0.33 0.01 -0.04 0.47 -1.33 0.00 0.00 177.39 176.83 1p3v n ASP 132 N -0.30 -2.62 -4.31 -1.43 10.43 -0.55 -5.05 116.55 112.73 1p3v n ASP 132 Ca 0.00 -0.04 -0.28 0.00 2.57 0.00 0.00 54.79 57.04 1p3v n ASP 132 Cb 0.01 -1.78 -0.14 0.00 1.84 0.00 0.00 41.12 41.05 1p3v n ASP 132 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1p3v s TYR 133 N -2.48 2.07 0.00 1.24 1.51 -1.04 -4.93 117.35 113.72 1p3v s TYR 133 Ca 0.04 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 1p3v s TYR 133 Cb -0.02 -1.21 0.00 0.00 -0.11 0.00 0.00 41.96 40.62 1p3v s TYR 133 CO 0.05 0.15 0.00 0.27 -1.11 0.00 0.00 175.55 174.90 1p3v n ASN 134 N 1.64 0.00 -0.40 2.29 0.23 0.81 -3.15 115.26 116.69 1p3v n ASN 134 Ca -0.17 -0.80 0.32 0.00 -0.53 0.00 0.00 54.58 53.40 1p3v n ASN 134 Cb 0.53 0.00 0.62 0.00 -2.08 0.00 0.00 39.78 38.84 1p3v n ASN 134 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1p3v h GLY 135 N 0.00 1.07 0.38 4.83 0.00 -1.91 -1.10 103.07 106.35 1p3v h GLY 135 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 1p3v h GLY 135 CO 0.00 -0.24 -1.71 1.18 0.00 0.00 0.00 176.54 175.77 1p3v n GLU 136 N -4.58 0.64 -3.61 4.80 -0.58 -1.26 -4.14 120.64 111.92 1p3v n GLU 136 Ca 0.32 -0.04 -0.16 0.00 -0.42 0.00 0.00 57.16 56.86 1p3v n GLU 136 Cb 1.23 -1.64 -0.14 0.00 -0.57 0.00 0.00 31.44 30.33 1p3v n GLU 136 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1p3v s HIS 137 N -3.28 -0.28 0.00 -0.32 2.46 -0.52 -4.95 115.29 108.40 1p3v s HIS 137 Ca -0.06 0.58 0.00 0.00 0.47 0.00 0.00 55.06 56.05 1p3v s HIS 137 Cb 0.11 -0.24 0.00 0.00 -0.13 0.00 0.00 32.58 32.33 1p3v s HIS 137 CO 0.86 -0.41 0.00 0.41 -2.47 0.00 0.00 174.74 173.13 1p3v n GLY 138 N 5.33 2.26 1.69 1.59 0.00 -1.25 -0.13 105.19 114.68 1p3v n GLY 138 Ca -0.05 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 1p3v n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p3v n ALA 139 N 0.00 4.13 -0.20 4.61 0.00 -0.59 -4.82 120.51 123.64 1p3v n ALA 139 Ca 0.00 -3.41 -0.06 0.00 0.00 0.00 0.00 53.44 49.97 1p3v n ALA 139 Cb 0.00 -0.43 0.04 0.00 0.00 0.00 0.00 19.45 19.05 1p3v n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p3v h ARG 140 N 1.82 0.73 0.00 0.00 3.08 -1.70 -2.55 114.38 115.76 1p3v h ARG 140 Ca 0.15 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1p3v h ARG 140 Cb 1.38 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1p3v h ARG 140 CO 0.42 0.48 0.00 -2.39 -1.07 0.00 0.00 179.97 177.41 1p3v n HIS 141 N -4.71 0.47 0.76 3.04 1.44 -1.26 -2.58 115.22 112.38 1p3v n HIS 141 Ca 0.04 0.17 0.09 0.00 -2.01 0.00 0.00 57.72 56.02 1p3v n HIS 141 Cb 0.03 -0.78 -0.12 0.00 0.12 0.00 0.00 29.99 29.24 1p3v n HIS 141 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1p3v n LEU 142 N -1.92 0.76 -4.71 2.39 4.77 -1.03 -4.97 117.00 112.29 1p3v n LEU 142 Ca 0.03 -0.41 -0.37 0.00 -0.03 0.00 0.00 56.01 55.23 1p3v n LEU 142 Cb 0.24 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.40 1p3v n LEU 142 CO 0.20 0.19 0.85 0.00 -1.33 0.00 0.00 177.39 177.30 1p3v n ALA 143 N -1.60 1.06 -1.77 -1.18 0.00 -0.99 -4.61 120.51 111.41 1p3v n ALA 143 Ca 0.02 0.03 -0.34 0.00 0.00 0.00 0.00 53.44 53.15 1p3v n ALA 143 Cb 0.35 -2.29 -0.02 0.00 0.00 0.00 0.00 19.45 17.48 1p3v n ALA 143 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1p3v s PRO 144 N -3.16 3.70 0.36 0.00 0.04 -1.26 -4.99 135.00 129.70 1p3v s PRO 144 Ca 0.79 1.33 -0.28 0.00 0.04 0.00 0.00 61.00 62.88 1p3v s PRO 144 Cb -0.40 -2.08 -0.11 0.00 0.04 0.00 0.00 34.50 31.96 1p3v s PRO 144 CO 0.43 -0.51 1.45 -1.58 0.04 0.00 0.00 177.00 176.83 1p3v s HIS 145 N -2.08 2.70 0.54 0.56 5.65 -1.26 -4.87 115.29 116.53 1p3v s HIS 145 Ca 0.67 1.21 0.37 0.00 0.25 0.00 0.00 55.06 57.55 1p3v s HIS 145 Cb -0.16 -3.95 1.55 0.00 -1.18 0.00 0.00 32.58 28.84 1p3v s HIS 145 CO 0.24 -2.77 1.81 -1.35 -0.65 0.00 0.00 174.74 172.02 1p3v h PRO 146 N 3.18 0.00 -0.53 2.88 0.11 -2.02 0.46 132.00 136.08 1p3v h PRO 146 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1p3v h PRO 146 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1p3v h PRO 146 CO 0.65 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.19 1p3v n ASP 147 N -4.18 2.63 -0.14 -2.05 10.43 -1.26 -5.00 116.55 116.98 1p3v n ASP 147 Ca 0.25 -2.17 0.00 0.00 2.57 0.00 0.00 54.79 55.44 1p3v n ASP 147 Cb 1.24 -0.38 0.00 0.00 1.84 0.00 0.00 41.12 43.82 1p3v n ASP 147 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1p3v n GLY 148 N 0.87 -2.30 0.35 0.44 0.00 0.16 -4.10 105.19 100.63 1p3v n GLY 148 Ca 0.14 -1.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.11 1p3v n GLY 148 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1p3v h ARG 149 N 0.00 -0.14 -0.28 1.61 3.08 -1.92 -0.55 114.38 116.18 1p3v h ARG 149 Ca 0.00 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.07 1p3v h ARG 149 Cb 0.00 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1p3v h ARG 149 CO 0.00 -0.09 0.16 0.78 -1.07 0.00 0.00 179.97 179.75 1p3v h GLY 150 N -0.15 0.38 0.86 0.04 0.00 -1.92 -0.31 103.07 101.98 1p3v h GLY 150 Ca 0.24 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 1p3v h GLY 150 CO -0.72 0.11 -0.42 0.50 0.00 0.00 0.00 176.54 176.02 1p3v h LYS 151 N 0.34 -1.12 -1.03 4.80 1.79 -1.66 -0.79 116.57 118.89 1p3v h LYS 151 Ca 0.11 0.08 0.25 0.00 -2.18 0.00 0.00 60.65 58.91 1p3v h LYS 151 Cb -0.01 0.25 -0.11 0.00 -1.58 0.00 0.00 32.23 30.79 1p3v h LYS 151 CO -0.05 -0.75 0.64 1.25 -1.08 0.00 0.00 179.45 179.47 1p3v h HIS 152 N -1.31 0.82 -0.13 -1.35 2.76 -1.10 0.12 115.15 114.95 1p3v h HIS 152 Ca -0.12 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 57.93 1p3v h HIS 152 Cb 0.89 -0.24 0.01 0.00 1.55 0.00 0.00 27.41 29.62 1p3v h HIS 152 CO 0.00 0.07 -0.51 2.35 -1.30 0.00 0.00 177.93 178.54 1p3v h TRP 153 N 0.49 0.76 -0.91 5.26 2.91 -0.90 -1.57 115.95 121.98 1p3v h TRP 153 Ca 0.62 -0.32 -0.00 0.00 1.13 0.00 0.00 58.89 60.31 1p3v h TRP 153 Cb 1.37 -0.12 -0.04 0.00 -0.51 0.00 0.00 29.16 29.85 1p3v h TRP 153 CO -0.00 1.10 0.57 0.00 -1.03 0.00 0.00 178.44 179.07 1p3v h ARG 154 N 0.20 1.23 -0.62 2.65 3.08 0.44 0.19 114.38 121.55 1p3v h ARG 154 Ca -0.03 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 1p3v h ARG 154 Cb 1.14 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 30.90 1p3v h ARG 154 CO 0.11 0.84 0.23 0.00 -1.07 0.00 0.00 179.97 180.08 1p3v h ALA 155 N 1.37 0.81 -0.13 0.04 0.00 -0.78 -1.88 119.26 118.70 1p3v h ALA 155 Ca 0.33 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1p3v h ALA 155 Cb -0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1p3v h ALA 155 CO -0.06 0.44 0.06 0.35 0.00 0.00 0.00 179.25 180.04 1p3v h PHE 156 N 0.87 0.18 -0.84 0.00 3.57 -0.23 -2.61 116.94 117.88 1p3v h PHE 156 Ca 0.20 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.84 1p3v h PHE 156 Cb 0.23 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.85 1p3v h PHE 156 CO 0.01 0.21 0.55 0.28 -2.23 0.00 0.00 178.31 177.13 1p3v h VAL 157 N 0.09 0.84 -0.03 1.41 2.07 -0.41 -1.98 116.25 118.24 1p3v h VAL 157 Ca 0.04 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.39 1p3v h VAL 157 Cb 0.10 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 29.98 1p3v h VAL 157 CO -0.01 0.11 -0.31 -0.33 0.02 0.00 0.00 177.57 177.05 1p3v h GLU 158 N 0.61 -0.43 -0.22 1.57 4.39 -0.94 -1.24 114.58 118.32 1p3v h GLU 158 Ca 0.41 0.03 -0.07 0.00 0.34 0.00 0.00 59.36 60.07 1p3v h GLU 158 Cb 0.72 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 1p3v h GLU 158 CO -0.17 -0.29 -0.16 0.45 -1.16 0.00 0.00 179.01 177.68 1p3v h HIS 159 N -0.44 0.40 -0.17 4.33 3.86 -1.38 -0.68 115.15 121.07 1p3v h HIS 159 Ca 0.07 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1p3v h HIS 159 Cb 0.55 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 1p3v h HIS 159 CO -0.35 0.53 0.09 -0.07 0.86 0.00 0.00 177.93 178.99 1p3v h LEU 160 N 0.35 0.21 -0.69 2.43 3.38 -0.84 -2.14 115.31 118.01 1p3v h LEU 160 Ca 0.06 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1p3v h LEU 160 Cb 0.50 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1p3v h LEU 160 CO 0.03 0.22 0.09 0.78 0.09 0.00 0.00 178.44 179.65 1p3v h ASN 161 N 0.18 1.06 0.10 -0.43 -0.26 -1.06 -2.83 115.58 112.33 1p3v h ASN 161 Ca 0.06 -0.26 -0.01 0.00 -0.56 0.00 0.00 56.30 55.53 1p3v h ASN 161 Cb 0.06 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.03 1p3v h ASN 161 CO -0.01 1.06 -0.04 0.00 -1.06 0.00 0.00 177.43 177.38 1p3v h ALA 162 N 1.06 1.52 -0.99 -0.83 0.00 -0.79 -2.32 119.26 116.91 1p3v h ALA 162 Ca 0.20 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.22 1p3v h ALA 162 Cb 0.46 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 1p3v h ALA 162 CO 0.02 0.05 0.61 -0.07 0.00 0.00 0.00 179.25 179.85 1p3v h LEU 163 N 0.00 0.85 -2.64 0.00 3.38 -1.13 -3.46 115.31 112.31 1p3v h LEU 163 Ca -0.00 0.07 -0.29 0.00 0.09 0.00 0.00 57.88 57.74 1p3v h LEU 163 Cb 0.10 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1p3v h LEU 163 CO 0.01 0.40 -0.90 0.59 0.09 0.00 0.00 178.44 178.63 1p3v n ASN 164 N -4.69 -3.98 -3.66 -0.43 3.02 -0.88 -4.95 115.26 99.69 1p3v n ASN 164 Ca 0.20 -0.14 -0.14 0.00 -0.03 0.00 0.00 54.58 54.47 1p3v n ASN 164 Cb 0.43 -1.16 0.07 0.00 -0.61 0.00 0.00 39.78 38.50 1p3v n ASN 164 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1p3v n LEU 165 N -0.19 0.00 -4.77 3.41 4.32 -1.26 -5.05 117.00 113.46 1p3v n LEU 165 Ca -0.07 -1.39 -0.36 0.00 -0.02 0.00 0.00 56.01 54.17 1p3v n LEU 165 Cb 0.51 -0.37 0.00 0.00 -1.62 0.00 0.00 43.42 41.94 1p3v n LEU 165 CO 0.41 -0.76 0.81 0.42 -1.22 0.00 0.00 177.39 177.04 1p3v s THR 166 N -1.70 3.08 0.60 -5.08 -4.23 -1.26 -4.76 115.64 102.28 1p3v s THR 166 Ca 0.41 0.71 0.29 0.00 -1.18 0.00 0.00 61.69 61.92 1p3v s THR 166 Cb -0.03 -3.31 0.37 0.00 1.34 0.00 0.00 72.50 70.87 1p3v s THR 166 CO 0.27 -0.10 1.93 -0.65 -0.54 0.00 0.00 174.62 175.53 1p3v h PRO 167 N 1.43 0.00 0.00 3.99 0.11 -1.99 0.84 132.00 136.37 1p3v h PRO 167 Ca -0.50 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1p3v h PRO 167 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1p3v h PRO 167 CO 0.58 0.00 -0.28 0.93 -0.21 0.00 0.00 178.00 179.01 1p3v h GLU 168 N 0.00 0.00 0.02 1.05 3.07 -1.99 -2.61 114.58 114.12 1p3v h GLU 168 Ca 0.17 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.97 1p3v h GLU 168 Cb 1.01 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.93 1p3v h GLU 168 CO -0.00 0.27 -0.27 0.00 -1.40 0.00 0.00 179.01 177.61 1p3v h ALA 169 N 1.73 -0.00 -0.34 3.43 0.00 0.30 -2.59 119.26 121.80 1p3v h ALA 169 Ca -0.00 -0.51 0.10 0.00 0.00 0.00 0.00 54.91 54.49 1p3v h ALA 169 Cb 1.21 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1p3v h ALA 169 CO 0.03 0.10 0.25 0.93 0.00 0.00 0.00 179.25 180.56 1p3v h GLU 170 N -0.63 0.00 0.03 0.00 5.08 -1.23 -0.24 114.58 117.59 1p3v h GLU 170 Ca -0.04 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1p3v h GLU 170 Cb 1.11 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1p3v h GLU 170 CO 0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 179.01 178.05 1p3v h ALA 171 N 1.83 -0.04 -0.23 3.43 0.00 -1.38 -1.98 119.26 120.89 1p3v h ALA 171 Ca 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1p3v h ALA 171 Cb 0.65 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1p3v h ALA 171 CO -0.00 -0.37 0.09 0.93 0.00 0.00 0.00 179.25 179.90 1p3v h GLU 172 N -0.36 0.31 -0.45 0.00 5.08 -0.69 -1.19 114.58 117.28 1p3v h GLU 172 Ca -0.00 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1p3v h GLU 172 Cb 0.33 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1p3v h GLU 172 CO 0.01 0.26 -0.11 0.00 -1.00 0.00 0.00 179.01 178.17 1p3v h ALA 173 N 1.79 0.62 -0.11 3.43 0.00 -1.03 0.16 119.26 124.13 1p3v h ALA 173 Ca 0.08 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1p3v h ALA 173 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1p3v h ALA 173 CO -0.01 0.52 -0.26 0.82 0.00 0.00 0.00 179.25 180.32 1p3v h ILE 174 N 0.71 1.23 -0.09 0.00 2.04 -0.56 0.22 117.51 121.06 1p3v h ILE 174 Ca 0.12 -1.10 -0.15 0.00 1.00 0.00 0.00 64.86 64.72 1p3v h ILE 174 Cb 0.65 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1p3v h ILE 174 CO 0.04 0.33 -0.60 -0.61 0.00 0.00 0.00 178.15 177.31 1p3v h GLN 175 N 0.18 0.30 -0.14 2.37 5.75 -0.77 -2.18 115.11 120.63 1p3v h GLN 175 Ca 0.03 -0.21 -0.19 0.00 -0.15 0.00 0.00 58.65 58.13 1p3v h GLN 175 Cb 0.56 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.14 1p3v h GLN 175 CO 0.04 0.82 -0.69 0.78 -2.65 0.00 0.00 178.83 177.13 1p3v h GLY 176 N 1.39 0.65 1.45 2.39 0.00 0.49 -2.25 103.07 107.19 1p3v h GLY 176 Ca -0.01 -0.87 -0.08 0.00 0.00 0.00 0.00 47.33 46.38 1p3v h GLY 176 CO 0.10 0.77 -0.07 0.00 0.00 0.00 0.00 176.54 177.34 1p3v h ALA 177 N 0.81 1.14 -0.43 3.60 0.00 -0.50 0.15 119.26 124.04 1p3v h ALA 177 Ca -0.02 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1p3v h ALA 177 Cb 1.27 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1p3v h ALA 177 CO 0.13 0.55 -0.19 0.00 0.00 0.00 0.00 179.25 179.74 1p3v h ARG 178 N 0.62 0.85 0.00 0.00 3.08 -1.30 -2.14 114.38 115.49 1p3v h ARG 178 Ca 0.12 -0.33 -0.13 0.00 0.07 0.00 0.00 59.98 59.70 1p3v h ARG 178 Cb 0.49 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1p3v h ARG 178 CO 0.03 0.96 -0.62 0.93 -1.07 0.00 0.00 179.97 180.20 1p3v h GLU 179 N 0.74 0.00 -0.51 0.04 5.08 -0.92 -2.06 114.58 116.95 1p3v h GLU 179 Ca 0.11 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1p3v h GLU 179 Cb 0.71 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1p3v h GLU 179 CO 0.05 0.62 0.15 0.00 -1.00 0.00 0.00 179.01 178.84 1p3v h ALA 180 N 1.38 0.67 -0.37 3.43 0.00 -0.41 -0.83 119.26 123.12 1p3v h ALA 180 Ca -0.01 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1p3v h ALA 180 Cb 1.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1p3v h ALA 180 CO 0.08 0.34 -0.07 0.74 0.00 0.00 0.00 179.25 180.35 1p3v h PHE 181 N 0.70 0.79 -0.09 0.00 -1.00 -1.24 -1.48 116.94 114.61 1p3v h PHE 181 Ca 0.16 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1p3v h PHE 181 Cb 0.30 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 1p3v h PHE 181 CO 0.02 0.84 0.05 0.00 -1.61 0.00 0.00 178.31 177.61 1p3v h ALA 182 N 0.84 0.12 -0.91 2.45 0.00 -1.27 -2.30 119.26 118.19 1p3v h ALA 182 Ca 0.10 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1p3v h ALA 182 Cb 0.57 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1p3v h ALA 182 CO 0.03 -0.40 0.57 0.35 0.00 0.00 0.00 179.25 179.80 1p3v h PHE 183 N 0.11 1.05 -0.85 0.00 3.57 -1.06 -0.85 116.94 118.91 1p3v h PHE 183 Ca 0.04 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.65 1p3v h PHE 183 Cb -0.00 -0.34 -0.06 0.00 2.79 0.00 0.00 35.95 38.34 1p3v h PHE 183 CO -0.08 0.52 0.55 -0.92 -2.23 0.00 0.00 178.31 176.15 1p3v h TYR 184 N 1.02 0.90 -0.06 0.41 3.20 -0.72 -0.78 116.97 120.94 1p3v h TYR 184 Ca 0.40 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 62.11 1p3v h TYR 184 Cb 0.21 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.18 1p3v h TYR 184 CO -0.02 0.43 -0.77 0.87 -1.64 0.00 0.00 178.16 177.03 1p3v h LYS 185 N 0.85 0.40 0.20 1.82 1.57 -0.79 -0.49 116.57 120.14 1p3v h LYS 185 Ca 0.39 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1p3v h LYS 185 Cb 0.37 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1p3v h LYS 185 CO -0.15 0.99 -0.11 0.28 -0.57 0.00 0.00 179.45 179.89 1p3v h VAL 186 N 0.26 0.78 -0.40 0.50 2.07 -0.29 0.11 116.25 119.28 1p3v h VAL 186 Ca -0.04 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.54 1p3v h VAL 186 Cb 1.35 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 1p3v h VAL 186 CO 0.13 0.00 0.09 0.58 0.02 0.00 0.00 177.57 178.39 1p3v h VAL 187 N -0.29 0.80 0.07 2.57 2.07 -1.15 -1.64 116.25 118.69 1p3v h VAL 187 Ca -0.03 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1p3v h VAL 187 Cb 0.23 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1p3v h VAL 187 CO 0.04 0.04 -0.20 0.25 0.02 0.00 0.00 177.57 177.72 1p3v h LEU 188 N 0.22 -0.56 -0.95 2.57 6.46 -0.58 0.07 115.31 122.54 1p3v h LEU 188 Ca 0.19 0.07 0.16 0.00 -0.12 0.00 0.00 57.88 58.18 1p3v h LEU 188 Cb 0.23 0.22 -0.10 0.00 -0.73 0.00 0.00 40.66 40.28 1p3v h LEU 188 CO -0.25 -0.27 0.55 0.03 -0.62 0.00 0.00 178.44 177.88 1p3v h ARG 189 N -0.35 0.74 -0.12 1.25 3.08 -0.35 0.11 114.38 118.73 1p3v h ARG 189 Ca 0.04 -0.04 -0.21 0.00 0.07 0.00 0.00 59.98 59.83 1p3v h ARG 189 Cb 0.40 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.28 1p3v h ARG 189 CO -0.14 0.49 -0.79 0.93 -1.07 0.00 0.00 179.97 179.40 1p3v h GLU 190 N 0.76 0.66 -0.27 0.04 5.08 -0.72 1.02 114.58 121.15 1p3v h GLU 190 Ca 0.52 -0.55 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 1p3v h GLU 190 Cb 0.72 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1p3v h GLU 190 CO -0.35 1.17 -0.35 1.15 -1.00 0.00 0.00 179.01 179.62 1p3v h THR 191 N 0.44 1.29 -0.65 1.13 2.02 -0.24 -3.08 112.91 113.82 1p3v h THR 191 Ca -0.05 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 65.64 1p3v h THR 191 Cb 1.40 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1p3v h THR 191 CO 0.15 0.47 0.00 0.49 0.37 0.00 0.00 175.52 177.01 1p3v n PHE 192 N -4.06 1.18 -3.45 3.16 3.01 0.31 -4.96 117.46 112.66 1p3v n PHE 192 Ca -0.01 -0.52 -0.21 0.00 1.01 0.00 0.00 57.45 57.73 1p3v n PHE 192 Cb 0.49 -0.12 0.07 0.00 -0.01 0.00 0.00 39.48 39.90 1p3v n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1p3v n GLY 193 N 1.35 -0.36 3.92 1.37 0.00 -0.54 -5.01 105.19 105.92 1p3v n GLY 193 Ca 0.24 0.14 -0.31 0.00 0.00 0.00 0.00 46.02 46.09 1p3v n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p3v s LEU 194 N -6.50 4.35 1.02 0.99 1.43 0.34 -5.01 118.68 115.30 1p3v s LEU 194 Ca 0.48 0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 53.76 1p3v s LEU 194 Cb -0.21 -3.00 0.20 0.00 0.03 0.00 0.00 46.19 43.21 1p3v s LEU 194 CO 0.64 0.15 1.08 0.00 0.23 0.00 0.00 176.35 178.45 1p3v s ALA 195 N -1.55 0.74 0.38 4.21 0.00 -1.26 -4.51 121.76 119.77 1p3v s ALA 195 Ca 0.36 -0.26 -0.28 0.00 0.00 0.00 0.00 51.96 51.78 1p3v s ALA 195 Cb -0.13 -3.16 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 1p3v s ALA 195 CO 0.28 -2.99 1.46 0.00 0.00 0.00 0.00 175.76 174.50 1p3v s ALA 196 N -2.85 3.52 0.00 0.00 0.00 -1.26 -2.26 121.76 118.90 1p3v s ALA 196 Ca 0.66 1.52 0.00 0.00 0.00 0.00 0.00 51.96 54.14 1p3v s ALA 196 Cb -0.20 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1p3v s ALA 196 CO 0.59 -1.03 0.00 -0.25 0.00 0.00 0.00 175.76 175.07 1p3v n ASP 197 N 0.40 -3.53 -4.62 0.00 8.00 -1.26 -4.93 116.55 110.61 1p3v n ASP 197 Ca 0.01 0.00 -0.47 0.00 0.71 0.00 0.00 54.79 55.04 1p3v n ASP 197 Cb 0.40 -2.55 -0.04 0.00 -0.02 0.00 0.00 41.12 38.92 1p3v n ASP 197 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p3v n ALA 198 N 1.00 0.05 -2.27 2.24 0.00 -0.96 -4.98 120.51 115.59 1p3v n ALA 198 Ca 0.00 0.44 -0.15 0.00 0.00 0.00 0.00 53.44 53.74 1p3v n ALA 198 Cb 0.26 -2.14 -0.10 0.00 0.00 0.00 0.00 19.45 17.47 1p3v n ALA 198 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1p3v s GLU 199 N -0.30 1.15 1.00 0.00 0.41 -1.26 -5.02 118.70 114.68 1p3v s GLU 199 Ca 0.72 -1.54 -0.11 0.00 -0.41 0.00 0.00 54.97 53.62 1p3v s GLU 199 Cb -0.77 -0.51 0.19 0.00 -1.78 0.00 0.00 34.13 31.26 1p3v s GLU 199 CO 0.50 -0.04 1.09 0.00 -0.49 0.00 0.00 175.26 176.33 1p3v s ALA 200 N -3.45 0.81 0.09 5.21 0.00 -1.26 -4.84 121.76 118.32 1p3v s ALA 200 Ca 0.22 0.19 -0.34 0.00 0.00 0.00 0.00 51.96 52.03 1p3v s ALA 200 Cb 0.05 -3.32 -0.14 0.00 0.00 0.00 0.00 23.12 19.71 1p3v s ALA 200 CO 0.04 -3.04 1.63 -2.30 0.00 0.00 0.00 175.76 172.09 1p3v n PRO 201 N -4.39 2.05 -1.77 0.00 -0.02 -1.26 -4.83 135.00 124.78 1p3v n PRO 201 Ca 0.08 0.74 -0.42 0.00 -2.02 0.00 0.00 63.50 61.88 1p3v n PRO 201 Cb 0.53 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 1p3v n PRO 201 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1p3v s GLU 202 N 1.63 4.13 0.00 -0.52 2.12 -1.26 -2.16 118.70 122.65 1p3v s GLU 202 Ca 0.83 2.57 0.00 0.00 0.36 0.00 0.00 54.97 58.73 1p3v s GLU 202 Cb -0.71 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 30.63 1p3v s GLU 202 CO 0.42 -0.67 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 1p3v n GLY 203 N 2.94 1.69 3.77 -1.50 0.00 -1.26 -5.06 105.19 105.76 1p3v n GLY 203 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1p3v n GLY 203 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1p3v s MET 204 N -0.77 3.88 0.06 1.61 -2.45 -0.92 -5.04 119.30 115.68 1p3v s MET 204 Ca 0.00 2.29 0.06 0.00 -1.25 0.00 0.00 55.69 56.79 1p3v s MET 204 Cb 0.00 -2.74 -0.03 0.00 1.25 0.00 0.00 34.83 33.31 1p3v s MET 204 CO 0.00 -0.61 -0.16 -1.64 1.05 0.00 0.00 175.02 173.65 1p3v s MET 205 N -2.30 0.98 0.00 4.11 -1.94 -1.26 -5.01 119.30 113.88 1p3v s MET 205 Ca 0.58 -0.92 0.00 0.00 -1.71 0.00 0.00 55.69 53.64 1p3v s MET 205 Cb -0.41 -1.05 0.00 0.00 2.01 0.00 0.00 34.83 35.38 1p3v s MET 205 CO 0.53 0.25 0.48 -2.30 -0.01 0.00 0.00 175.02 173.97