#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyp h MET 30 N 0.00 0.00 0.00 -1.08 2.86 -2.04 -1.39 114.93 113.28 3kyp h MET 30 Ca 0.00 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.48 3kyp h MET 30 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3kyp h MET 30 CO 0.00 0.00 -0.77 0.37 1.06 0.00 0.00 176.91 177.57 3kyp h GLN 31 N 0.00 0.00 0.04 1.72 5.75 -2.05 0.56 115.11 121.14 3kyp h GLN 31 Ca 0.00 0.00 -0.24 0.00 -0.15 0.00 0.00 58.65 58.26 3kyp h GLN 31 Cb 0.35 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 3kyp h GLN 31 CO 0.00 0.77 -1.16 -0.44 -2.65 0.00 0.00 178.83 175.35 3kyp h ASP 32 N 0.00 0.15 0.26 -0.69 3.32 -1.72 -3.02 116.42 114.72 3kyp h ASP 32 Ca -0.01 -0.17 -0.30 0.00 0.02 0.00 0.00 57.03 56.58 3kyp h ASP 32 Cb 1.54 -0.05 0.02 0.00 0.22 0.00 0.00 39.33 41.07 3kyp h ASP 32 CO 0.10 1.13 -1.27 0.15 -1.72 0.00 0.00 179.24 177.64 3kyp h PHE 33 N 0.03 0.88 0.18 4.55 3.04 -1.37 -3.08 116.94 121.16 3kyp h PHE 33 Ca -0.08 -0.58 0.01 0.00 3.98 0.00 0.00 57.97 61.30 3kyp h PHE 33 Cb 1.86 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 40.29 3kyp h PHE 33 CO 0.02 1.43 -0.23 1.49 -2.02 0.00 0.00 178.31 179.00 3kyp h GLU 34 N 0.21 -0.44 -0.02 1.11 4.57 0.07 -1.87 114.58 118.21 3kyp h GLU 34 Ca -0.18 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 3kyp h GLU 34 Cb 1.95 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 30.63 3kyp h GLU 34 CO 0.23 -0.30 -0.00 -0.44 -1.18 0.00 0.00 179.01 177.32 3kyp h ASP 35 N -0.46 -0.02 -0.74 1.04 3.45 -1.64 -1.25 116.42 116.80 3kyp h ASP 35 Ca 0.01 0.01 0.05 0.00 0.43 0.00 0.00 57.03 57.53 3kyp h ASP 35 Cb 0.45 0.01 -0.04 0.00 -0.56 0.00 0.00 39.33 39.19 3kyp h ASP 35 CO -0.09 -0.01 0.49 -0.29 -1.57 0.00 0.00 179.24 177.77 3kyp h ILE 36 N 0.00 1.06 -0.05 0.35 2.10 -1.45 0.90 117.51 120.42 3kyp h ILE 36 Ca 0.01 -0.29 -0.22 0.00 1.08 0.00 0.00 64.86 65.45 3kyp h ILE 36 Cb 0.01 0.16 0.00 0.00 -1.09 0.00 0.00 36.82 35.91 3kyp h ILE 36 CO -0.02 0.15 -0.86 1.56 -1.08 0.00 0.00 178.15 177.90 3kyp h GLN 37 N 0.83 0.52 -0.95 2.19 1.08 -1.18 -0.96 115.11 116.64 3kyp h GLN 37 Ca 0.31 -0.49 -0.00 0.00 -1.45 0.00 0.00 58.65 57.02 3kyp h GLN 37 Cb 0.16 0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 27.67 3kyp h GLN 37 CO -0.10 1.12 0.59 -0.22 -0.95 0.00 0.00 178.83 179.27 3kyp h LYS 38 N 0.33 1.29 -0.04 1.46 1.63 0.26 0.10 116.57 121.61 3kyp h LYS 38 Ca -0.07 -0.11 -0.11 0.00 -0.85 0.00 0.00 60.65 59.52 3kyp h LYS 38 Cb 1.48 -0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 32.82 3kyp h LYS 38 CO 0.16 0.89 -0.47 -0.44 -3.45 0.00 0.00 179.45 176.14 3kyp h ASP 39 N 1.31 0.09 -0.04 4.20 5.19 0.93 -2.82 116.42 125.28 3kyp h ASP 39 Ca 0.34 -0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.59 3kyp h ASP 39 Cb -0.07 -0.03 0.01 0.00 0.18 0.00 0.00 39.33 39.42 3kyp h ASP 39 CO -0.07 0.55 -0.45 0.40 -3.12 0.00 0.00 179.24 176.55 3kyp h ILE 40 N 0.07 1.43 -0.00 0.35 2.04 -0.57 -3.07 117.51 117.76 3kyp h ILE 40 Ca 0.00 -1.90 0.00 0.00 1.00 0.00 0.00 64.86 63.96 3kyp h ILE 40 Cb 0.85 2.45 -0.00 0.00 -0.74 0.00 0.00 36.82 39.39 3kyp h ILE 40 CO 0.06 0.55 0.07 -0.08 0.00 0.00 0.00 178.15 178.75 3kyp h GLU 41 N -0.13 0.00 0.00 2.37 4.81 -0.67 -0.23 114.58 120.73 3kyp h GLU 41 Ca -0.04 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3kyp h GLU 41 Cb 1.13 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 3kyp h GLU 41 CO 0.09 0.00 -0.17 0.37 -0.73 0.00 0.00 179.01 178.57 3kyp h GLN 42 N 0.00 0.00 -0.15 1.92 4.15 -1.46 -1.99 115.11 117.58 3kyp h GLN 42 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.47 3kyp h GLN 42 Cb 0.14 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 3kyp h GLN 42 CO -0.00 0.77 0.27 -0.07 -1.93 0.00 0.00 178.83 177.87 3kyp h LEU 43 N -1.00 0.00 -0.15 -2.39 3.38 -1.28 0.47 115.31 114.35 3kyp h LEU 43 Ca -0.04 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.70 3kyp h LEU 43 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3kyp h LEU 43 CO -0.03 0.00 -0.97 0.44 0.09 0.00 0.00 178.44 177.97 3kyp h ASP 44 N 0.00 0.46 0.38 -0.43 5.19 -1.01 -2.23 116.42 118.78 3kyp h ASP 44 Ca 0.07 -0.39 -0.32 0.00 -0.62 0.00 0.00 57.03 55.78 3kyp h ASP 44 Cb 0.61 -0.14 0.02 0.00 0.18 0.00 0.00 39.33 40.00 3kyp h ASP 44 CO -0.00 1.20 -1.48 0.16 -3.12 0.00 0.00 179.24 176.00 3kyp h ILE 45 N 0.18 1.25 0.00 0.35 3.07 0.55 -1.37 117.51 121.53 3kyp h ILE 45 Ca -0.08 -2.78 -0.01 0.00 1.55 0.00 0.00 64.86 63.54 3kyp h ILE 45 Cb 1.62 2.92 -0.00 0.00 -0.27 0.00 0.00 36.82 41.08 3kyp h ILE 45 CO 0.16 0.84 -0.06 0.50 -1.05 0.00 0.00 178.15 178.54 3kyp h LYS 46 N 0.11 0.00 0.00 0.16 3.64 -0.64 -0.99 116.57 118.85 3kyp h LYS 46 Ca -0.24 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 3kyp h LYS 46 Cb 2.08 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.90 3kyp h LYS 46 CO 0.22 0.06 -0.25 0.00 -2.27 0.00 0.00 179.45 177.21 3kyp h ALA 48 N -0.95 2.29 0.13 0.00 0.00 -1.22 -1.50 119.26 118.01 3kyp h ALA 48 Ca -0.01 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.58 3kyp h ALA 48 Cb 0.29 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3kyp h ALA 48 CO -0.01 -0.65 -1.53 1.25 0.00 0.00 0.00 179.25 178.31 3kyp h HIS 49 N 0.00 0.51 0.00 0.00 6.17 -1.32 -3.31 115.15 117.20 3kyp h HIS 49 Ca 0.22 -0.37 0.00 0.00 0.71 0.00 0.00 60.37 60.93 3kyp h HIS 49 Cb 1.04 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 30.94 3kyp h HIS 49 CO 0.00 1.60 0.00 1.49 0.71 0.00 0.00 177.93 181.73 3kyp h GLU 50 N -0.19 0.00 -0.01 5.26 4.81 -0.93 -0.20 114.58 123.32 3kyp h GLU 50 Ca -0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3kyp h GLU 50 Cb 1.86 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.24 3kyp h GLU 50 CO 0.09 0.00 -0.21 1.04 -0.73 0.00 0.00 179.01 179.20 3kyp n GLN 51 N -2.73 1.00 -0.08 1.92 6.02 -0.63 -3.61 117.38 119.27 3kyp n GLN 51 Ca -0.01 -0.59 -0.12 0.00 -0.01 0.00 0.00 57.00 56.28 3kyp n GLN 51 Cb 0.17 -1.49 -0.08 0.00 1.02 0.00 0.00 30.24 29.86 3kyp n GLN 51 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 3kyp h MET 52 N 1.44 0.00 -0.12 -1.09 4.05 -1.11 -2.95 114.93 115.14 3kyp h MET 52 Ca 0.00 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.45 3kyp h MET 52 Cb 0.51 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.30 3kyp h MET 52 CO 0.00 0.61 0.27 -0.91 0.23 0.00 0.00 176.91 177.11 3kyp h ASN 53 N -1.00 0.00 0.26 1.39 -0.26 -1.67 0.67 115.58 114.96 3kyp h ASN 53 Ca -0.11 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.62 3kyp h ASN 53 Cb 0.80 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.06 3kyp h ASN 53 CO -0.07 0.00 -0.12 0.40 -1.06 0.00 0.00 177.43 176.58 3kyp h ILE 54 N 0.00 0.61 0.13 2.81 1.08 -1.63 0.59 117.51 121.11 3kyp h ILE 54 Ca 0.06 -0.88 -0.00 0.00 -0.39 0.00 0.00 64.86 63.64 3kyp h ILE 54 Cb 0.60 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 35.34 3kyp h ILE 54 CO -0.00 0.15 -0.16 -0.61 -0.69 0.00 0.00 178.15 176.83 3kyp h GLN 55 N -0.91 -0.29 -1.20 2.37 5.75 0.20 -1.44 115.11 119.59 3kyp h GLN 55 Ca -0.04 0.02 0.36 0.00 -0.15 0.00 0.00 58.65 58.84 3kyp h GLN 55 Cb 0.50 0.07 -0.11 0.00 1.07 0.00 0.00 27.48 29.01 3kyp h GLN 55 CO 0.06 -0.19 0.78 0.87 -2.65 0.00 0.00 178.83 177.69 3kyp h LYS 56 N -0.30 0.21 -0.52 1.69 1.57 -0.07 1.34 116.57 120.48 3kyp h LYS 56 Ca -0.02 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3kyp h LYS 56 Cb 0.27 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 3kyp h LYS 56 CO -0.04 0.14 0.31 0.37 -0.57 0.00 0.00 179.45 179.66 3kyp h GLN 57 N 0.21 0.70 0.02 3.15 -0.00 0.15 0.16 115.11 119.50 3kyp h GLN 57 Ca 0.71 -0.06 -0.35 0.00 -0.00 0.00 0.00 58.65 58.95 3kyp h GLN 57 Cb 2.10 -0.15 -0.05 0.00 0.00 0.00 0.00 27.48 29.38 3kyp h GLN 57 CO -0.33 0.49 -2.13 0.66 0.00 0.00 0.00 178.83 177.52 3kyp n TYR 58 N -4.43 0.52 -0.24 3.99 4.01 0.39 -3.36 117.16 118.04 3kyp n TYR 58 Ca 0.05 0.16 -0.01 0.00 -0.16 0.00 0.00 57.90 57.93 3kyp n TYR 58 Cb 0.07 -1.09 0.20 0.00 -0.31 0.00 0.00 39.34 38.22 3kyp n TYR 58 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3kyp h ASP 59 N 0.01 0.93 0.83 7.72 5.19 0.74 -2.21 116.42 129.64 3kyp h ASP 59 Ca -0.45 -0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 55.87 3kyp h ASP 59 Cb 2.08 -0.23 0.01 0.00 0.18 0.00 0.00 39.33 41.36 3kyp h ASP 59 CO 0.03 0.71 -0.40 -0.08 -3.12 0.00 0.00 179.24 176.39 3kyp h GLU 60 N 1.08 -1.08 -0.34 3.56 4.81 -0.82 -2.90 114.58 118.89 3kyp h GLU 60 Ca 0.28 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 3kyp h GLU 60 Cb -0.05 0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3kyp h GLU 60 CO -0.05 -0.72 0.00 0.36 -0.73 0.00 0.00 179.01 177.87 3kyp n LYS 61 N -5.07 0.51 -0.03 1.92 2.85 -1.07 -2.41 118.16 114.86 3kyp n LYS 61 Ca -0.14 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.09 3kyp n LYS 61 Cb 0.44 -1.17 -0.05 0.00 -0.65 0.00 0.00 35.03 33.60 3kyp n LYS 61 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3kyp n LYS 62 N 0.00 2.64 -0.35 -1.58 5.02 -0.85 -4.67 118.16 118.37 3kyp n LYS 62 Ca 0.00 -0.01 0.14 0.00 -2.02 0.00 0.00 58.31 56.42 3kyp n LYS 62 Cb 0.09 -1.18 0.34 0.00 -0.02 0.00 0.00 35.03 34.26 3kyp n LYS 62 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 3kyp h LYS 63 N 0.00 0.71 -0.44 1.97 2.10 -1.39 0.15 116.57 119.66 3kyp h LYS 63 Ca -0.17 -0.04 -0.06 0.00 -2.00 0.00 0.00 60.65 58.38 3kyp h LYS 63 Cb 1.32 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 32.47 3kyp h LYS 63 CO 0.01 0.47 0.04 -1.00 -2.00 0.00 0.00 179.45 176.98 3kyp h PRO 64 N 0.74 0.70 -0.27 0.07 0.13 -1.83 -2.70 132.00 128.83 3kyp h PRO 64 Ca 0.58 -0.16 -0.14 0.00 -0.87 0.00 0.00 66.00 65.41 3kyp h PRO 64 Cb 0.94 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 3kyp h PRO 64 CO -0.38 0.68 -0.39 -0.07 -0.23 0.00 0.00 178.00 177.61 3kyp h LEU 65 N 0.66 0.82 0.00 1.56 -0.00 -1.10 -2.48 115.31 114.77 3kyp h LEU 65 Ca 0.14 -0.51 0.00 0.00 -0.00 0.00 0.00 57.88 57.51 3kyp h LEU 65 Cb 0.35 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.78 3kyp h LEU 65 CO 0.01 1.17 0.00 0.49 -0.00 0.00 0.00 178.44 180.10 3kyp n PHE 66 N -4.18 0.00 -0.03 1.13 3.72 -0.02 -0.68 117.46 117.40 3kyp n PHE 66 Ca -0.04 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.32 3kyp n PHE 66 Cb 0.54 -0.31 0.02 0.00 -0.94 0.00 0.00 39.48 38.78 3kyp n PHE 66 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3kyp n GLU 67 N -1.31 1.19 0.00 -1.08 1.02 -0.94 -3.41 120.64 116.12 3kyp n GLU 67 Ca 0.01 -0.41 0.14 0.00 -0.02 0.00 0.00 57.16 56.87 3kyp n GLU 67 Cb 0.02 -1.16 0.81 0.00 -0.02 0.00 0.00 31.44 31.08 3kyp n GLU 67 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3kyp n LYS 68 N 0.79 0.83 0.04 3.49 2.85 0.14 -2.02 118.16 124.28 3kyp n LYS 68 Ca 0.08 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.38 3kyp n LYS 68 Cb 0.58 -1.50 0.42 0.00 -0.65 0.00 0.00 35.03 33.88 3kyp n LYS 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kyp h ARG 69 N 0.00 0.45 0.00 -1.58 2.47 -1.83 1.19 114.38 115.09 3kyp h ARG 69 Ca 0.00 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.67 3kyp h ARG 69 Cb 0.02 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.24 3kyp h ARG 69 CO 0.00 0.36 -0.01 -0.44 0.56 0.00 0.00 179.97 180.44 3kyp h ASP 70 N 0.46 0.00 0.65 7.04 3.45 -1.73 1.30 116.42 127.58 3kyp h ASP 70 Ca 0.12 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.41 3kyp h ASP 70 Cb 0.05 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.80 3kyp h ASP 70 CO -0.02 0.01 -0.77 -0.33 -1.57 0.00 0.00 179.24 176.56 3kyp h GLU 71 N 0.00 0.09 0.00 3.56 4.39 0.13 -3.41 114.58 119.33 3kyp h GLU 71 Ca -0.00 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3kyp h GLU 71 Cb 0.03 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3kyp h GLU 71 CO 0.00 0.81 -0.22 0.44 -1.16 0.00 0.00 179.01 178.89 3kyp n ILE 72 N -3.68 0.76 -0.08 3.13 -5.35 0.29 -4.15 119.36 110.27 3kyp n ILE 72 Ca -0.02 0.26 -0.02 0.00 -0.27 0.00 0.00 62.75 62.70 3kyp n ILE 72 Cb 0.74 -1.58 -0.01 0.00 -1.74 0.00 0.00 39.64 37.05 3kyp n ILE 72 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 3kyp n ILE 73 N -3.27 0.00 -2.15 7.28 5.41 0.42 0.58 119.36 127.62 3kyp n ILE 73 Ca -0.03 -0.01 -0.14 0.00 1.00 0.00 0.00 62.75 63.58 3kyp n ILE 73 Cb 0.11 -0.02 -0.02 0.00 -0.71 0.00 0.00 39.64 39.00 3kyp n ILE 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kyp n GLN 74 N 0.42 -1.92 -0.00 0.38 1.13 -1.26 -4.76 117.38 111.37 3kyp n GLN 74 Ca 0.04 0.70 0.00 0.00 -1.94 0.00 0.00 57.00 55.80 3kyp n GLN 74 Cb 0.00 -5.21 -0.00 0.00 0.11 0.00 0.00 30.24 25.14 3kyp n GLN 74 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 3kyp n LYS 75 N -2.58 0.23 -3.63 -1.09 3.00 2.39 -4.92 118.16 111.57 3kyp n LYS 75 Ca -0.15 -0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 57.86 3kyp n LYS 75 Cb 0.58 -0.99 -0.13 0.00 0.00 0.00 0.00 35.03 34.48 3kyp n LYS 75 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3kyp s ILE 76 N -1.98 0.77 -0.23 3.15 1.01 -0.76 -4.88 121.20 118.27 3kyp s ILE 76 Ca -0.00 -1.87 -0.21 0.00 0.00 0.00 0.00 60.65 58.56 3kyp s ILE 76 Cb 0.00 -1.56 -0.09 0.00 0.01 0.00 0.00 42.46 40.82 3kyp s ILE 76 CO 0.01 -0.86 0.86 -2.65 0.00 0.00 0.00 174.94 172.30 3kyp n PRO 77 N 4.15 0.00 -4.02 2.79 -0.02 -1.26 -0.44 135.00 136.19 3kyp n PRO 77 Ca 0.06 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.25 3kyp n PRO 77 Cb 0.38 -0.70 -0.02 0.00 -0.02 0.00 0.00 33.50 33.14 3kyp n PRO 77 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kyp n GLY 78 N 2.58 -0.30 0.00 -1.23 0.00 -1.26 -4.93 105.19 100.05 3kyp n GLY 78 Ca 0.19 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.36 3kyp n GLY 78 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kyp n PHE 79 N -4.42 0.00 -0.20 1.61 7.35 0.42 -2.65 117.46 119.57 3kyp n PHE 79 Ca -0.18 0.00 0.30 0.00 -0.76 0.00 0.00 57.45 56.82 3kyp n PHE 79 Cb 0.62 -0.18 0.69 0.00 0.35 0.00 0.00 39.48 40.96 3kyp n PHE 79 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 3kyp h TRP 80 N 0.00 0.00 -0.46 -5.13 -0.00 -1.87 0.52 115.95 109.01 3kyp h TRP 80 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.89 58.81 3kyp h TRP 80 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.14 3kyp h TRP 80 CO -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 178.44 178.39 3kyp h ALA 81 N 1.23 0.63 0.12 1.49 0.00 -1.64 -2.80 119.26 118.28 3kyp h ALA 81 Ca 0.46 -0.29 -0.30 0.00 0.00 0.00 0.00 54.91 54.78 3kyp h ALA 81 Cb 2.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 3kyp h ALA 81 CO -0.00 0.45 -1.50 -0.91 0.00 0.00 0.00 179.25 177.28 3kyp h ASN 82 N 0.68 0.39 0.22 0.00 2.35 -0.68 -3.18 115.58 115.37 3kyp h ASN 82 Ca 0.13 -0.52 0.01 0.00 -0.55 0.00 0.00 56.30 55.37 3kyp h ASN 82 Cb 0.53 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.74 3kyp h ASN 82 CO 0.03 1.43 -0.42 0.74 -1.65 0.00 0.00 177.43 177.56 3kyp h THR 83 N 0.07 0.16 0.00 2.81 2.02 -1.45 -2.60 112.91 113.91 3kyp h THR 83 Ca -0.23 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 3kyp h THR 83 Cb 2.01 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.58 3kyp h THR 83 CO 0.17 0.00 -0.06 -0.07 0.37 0.00 0.00 175.52 175.92 3kyp h LEU 84 N -0.72 0.00 -0.46 2.58 3.38 -1.64 -2.18 115.31 116.27 3kyp h LEU 84 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kyp h LEU 84 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3kyp h LEU 84 CO -0.18 0.06 0.00 -1.14 0.09 0.00 0.00 178.44 177.27 3kyp n ARG 85 N -4.15 1.30 -0.03 1.13 0.63 -0.99 -3.78 116.66 110.77 3kyp n ARG 85 Ca -0.03 -0.46 -0.01 0.00 -0.92 0.00 0.00 57.85 56.43 3kyp n ARG 85 Cb 0.15 -1.29 -0.07 0.00 0.45 0.00 0.00 32.46 31.69 3kyp n ARG 85 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3kyp n LYS 86 N -0.29 1.80 -1.33 -0.14 5.02 -0.82 -4.40 118.16 118.00 3kyp n LYS 86 Ca 0.13 -0.03 -0.52 0.00 -2.02 0.00 0.00 58.31 55.87 3kyp n LYS 86 Cb 0.16 -1.22 -0.07 0.00 -0.02 0.00 0.00 35.03 33.88 3kyp n LYS 86 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 3kyp n HIS 87 N -2.15 0.65 -0.78 2.13 -0.00 -1.23 -4.23 115.22 109.61 3kyp n HIS 87 Ca -0.10 0.93 -0.13 0.00 0.46 0.00 0.00 57.72 58.89 3kyp n HIS 87 Cb 0.60 -1.83 -0.11 0.00 -0.12 0.00 0.00 29.99 28.52 3kyp n HIS 87 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 3kyp n PRO 88 N 1.52 0.00 -0.27 1.57 -0.02 -1.26 -3.94 135.00 132.60 3kyp n PRO 88 Ca 0.18 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.70 3kyp n PRO 88 Cb 0.06 -0.55 -0.01 0.00 -0.02 0.00 0.00 33.50 32.98 3kyp n PRO 88 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kyp n ALA 89 N 3.14 -1.08 0.00 3.55 0.00 -1.26 -4.63 120.51 120.23 3kyp n ALA 89 Ca 0.35 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3kyp n ALA 89 Cb 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.18 3kyp n ALA 89 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3kyp n LEU 90 N 0.00 0.00 -0.03 0.00 -0.00 -1.26 -4.05 117.00 111.66 3kyp n LEU 90 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.96 3kyp n LEU 90 Cb 0.12 0.00 0.14 0.00 -0.00 0.00 0.00 43.42 43.69 3kyp n LEU 90 CO 0.00 0.00 0.70 0.77 -0.00 0.00 0.00 177.39 178.87 3kyp h SER 91 N 0.00 0.61 -1.80 1.45 4.64 -1.82 -3.43 113.55 113.20 3kyp h SER 91 Ca 0.00 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3kyp h SER 91 Cb 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 3kyp h SER 91 CO 0.00 0.86 0.00 -0.90 -0.87 0.00 0.00 176.83 175.92 3kyp n ASP 92 N -4.10 0.00 -0.94 4.97 5.68 -1.26 -4.34 116.55 116.55 3kyp n ASP 92 Ca -0.00 -0.73 -0.11 0.00 -0.50 0.00 0.00 54.79 53.45 3kyp n ASP 92 Cb 0.43 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.38 3kyp n ASP 92 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 3kyp n ILE 93 N -1.33 -0.17 -4.23 2.12 5.41 -1.26 -4.98 119.36 114.92 3kyp n ILE 93 Ca 0.00 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.44 3kyp n ILE 93 Cb 0.00 -1.42 -0.09 0.00 -0.71 0.00 0.00 39.64 37.42 3kyp n ILE 93 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 3kyp s VAL 94 N -2.44 3.99 0.17 1.39 -7.23 -1.26 -3.44 120.40 111.58 3kyp s VAL 94 Ca 0.00 -0.83 -0.32 0.00 -1.81 0.00 0.00 61.98 59.01 3kyp s VAL 94 Cb 0.00 -2.83 -0.16 0.00 0.56 0.00 0.00 36.38 33.95 3kyp s VAL 94 CO 0.00 0.25 1.06 -2.65 -0.31 0.00 0.00 175.10 173.45 3kyp n PRO 95 N 1.01 0.93 0.25 4.82 -0.02 -1.19 -4.83 135.00 135.97 3kyp n PRO 95 Ca -0.13 0.33 0.11 0.00 -2.02 0.00 0.00 63.50 61.79 3kyp n PRO 95 Cb 0.52 -1.75 0.66 0.00 -0.02 0.00 0.00 33.50 32.91 3kyp n PRO 95 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3kyp h GLU 96 N 2.91 0.00 0.00 -0.52 4.39 -1.96 0.18 114.58 119.58 3kyp h GLU 96 Ca -0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.28 3kyp h GLU 96 Cb 1.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 3kyp h GLU 96 CO 0.67 0.15 0.00 -0.25 -1.16 0.00 0.00 179.01 178.42 3kyp n ASP 97 N -3.75 0.00 0.04 1.42 8.00 -1.26 -3.62 116.55 117.38 3kyp n ASP 97 Ca -0.02 -0.09 -0.08 0.00 0.71 0.00 0.00 54.79 55.31 3kyp n ASP 97 Cb 0.26 -0.26 -0.06 0.00 -0.02 0.00 0.00 41.12 41.03 3kyp n ASP 97 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3kyp h ILE 98 N 0.00 0.62 0.00 0.53 1.08 -0.97 -3.34 117.51 115.43 3kyp h ILE 98 Ca 0.00 -1.15 0.00 0.00 -0.39 0.00 0.00 64.86 63.32 3kyp h ILE 98 Cb 0.20 1.08 0.00 0.00 -3.07 0.00 0.00 36.82 35.03 3kyp h ILE 98 CO 0.00 0.18 0.00 -0.90 -0.69 0.00 0.00 178.15 176.74 3kyp n ASP 99 N -4.90 0.47 -0.24 1.72 5.75 -1.24 -1.46 116.55 116.65 3kyp n ASP 99 Ca -0.06 0.62 -0.03 0.00 -0.01 0.00 0.00 54.79 55.31 3kyp n ASP 99 Cb 0.22 -0.72 0.08 0.00 -1.03 0.00 0.00 41.12 39.68 3kyp n ASP 99 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3kyp h ILE 100 N 0.00 1.07 -0.02 2.12 2.04 -1.68 -1.50 117.51 119.53 3kyp h ILE 100 Ca 0.00 -0.28 -0.22 0.00 1.00 0.00 0.00 64.86 65.36 3kyp h ILE 100 Cb 0.33 0.18 0.02 0.00 -0.74 0.00 0.00 36.82 36.60 3kyp h ILE 100 CO 0.00 0.15 -0.83 -0.07 0.00 0.00 0.00 178.15 177.40 3kyp h LEU 101 N 0.82 0.77 -6.23 1.44 4.07 -1.59 -3.39 115.31 111.19 3kyp h LEU 101 Ca 0.28 -0.73 0.00 0.00 0.08 0.00 0.00 57.88 57.51 3kyp h LEU 101 Cb 0.05 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.56 3kyp h LEU 101 CO -0.12 1.39 0.62 -3.20 -1.08 0.00 0.00 178.44 176.06 3kyp n ASN 102 N -4.01 0.00 -3.59 -0.43 2.85 -0.54 -4.54 115.26 105.00 3kyp n ASN 102 Ca -0.10 -1.43 -0.27 0.00 -0.11 0.00 0.00 54.58 52.66 3kyp n ASN 102 Cb 0.78 -0.29 -0.10 0.00 1.24 0.00 0.00 39.78 41.40 3kyp n ASN 102 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 3kyp n HIS 103 N 3.96 1.25 -2.30 1.20 8.25 -1.26 -3.90 115.22 122.43 3kyp n HIS 103 Ca 0.00 -3.82 -0.43 0.00 -0.26 0.00 0.00 57.72 53.21 3kyp n HIS 103 Cb 0.00 -0.23 -0.02 0.00 1.12 0.00 0.00 29.99 30.86 3kyp n HIS 103 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3kyp s LEU 104 N -0.91 3.99 0.23 2.41 1.43 -1.26 -4.23 118.68 120.33 3kyp s LEU 104 Ca 0.30 1.52 -0.05 0.00 -1.03 0.00 0.00 54.13 54.87 3kyp s LEU 104 Cb 0.03 -3.54 0.22 0.00 0.03 0.00 0.00 46.19 42.93 3kyp s LEU 104 CO -0.16 -1.05 1.72 0.58 0.23 0.00 0.00 176.35 177.67 3kyp h VAL 105 N 5.88 1.25 -3.74 -1.59 2.07 -1.04 -3.43 116.25 115.66 3kyp h VAL 105 Ca -0.29 -1.03 -0.08 0.00 0.82 0.00 0.00 66.70 66.11 3kyp h VAL 105 Cb 1.12 0.76 -0.13 0.00 -1.52 0.00 0.00 31.29 31.53 3kyp h VAL 105 CO 1.00 0.38 -0.27 -0.75 0.02 0.00 0.00 177.57 177.95 3kyp s LYS 106 N -5.08 1.07 -0.05 1.57 2.20 -1.15 -3.91 119.74 114.38 3kyp s LYS 106 Ca -0.11 -1.02 -0.04 0.00 -0.36 0.00 0.00 55.97 54.45 3kyp s LYS 106 Cb 0.14 0.39 0.02 0.00 -1.51 0.00 0.00 37.83 36.88 3kyp s LYS 106 CO 0.83 -0.39 0.13 -1.17 -0.36 0.00 0.00 175.35 174.40 3kyp s LEU 107 N -2.90 1.23 0.12 5.43 2.96 -1.26 -2.24 118.68 122.01 3kyp s LEU 107 Ca 0.11 0.27 0.04 0.00 -0.22 0.00 0.00 54.13 54.33 3kyp s LEU 107 Cb 0.03 0.40 -0.04 0.00 0.50 0.00 0.00 46.19 47.08 3kyp s LEU 107 CO -0.05 -0.08 -0.10 -0.62 -1.32 0.00 0.00 176.35 174.17 3kyp s ASP 108 N 0.47 1.64 0.00 3.68 -1.08 -0.75 -5.02 116.67 115.61 3kyp s ASP 108 Ca -0.03 -0.92 0.00 0.00 -0.52 0.00 0.00 52.55 51.08 3kyp s ASP 108 Cb -0.05 -0.00 0.00 0.00 -1.46 0.00 0.00 42.92 41.41 3kyp s ASP 108 CO -0.02 -0.30 0.00 -0.11 0.52 0.00 0.00 175.17 175.26 3kyp n LEU 109 N 0.16 0.00 0.00 -1.34 7.94 -1.26 -3.01 117.00 119.49 3kyp n LEU 109 Ca -0.13 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.77 3kyp n LEU 109 Cb 0.59 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.54 3kyp n LEU 109 CO 0.29 0.03 0.00 1.17 -1.11 0.00 0.00 177.39 177.77 3kyp n LYS 110 N 0.00 0.00 -2.50 1.96 3.00 -1.25 -4.26 118.16 115.11 3kyp n LYS 110 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.01 3kyp n LYS 110 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.23 3kyp n LYS 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3kyp s ASP 111 N 0.00 6.46 -0.85 3.14 -0.00 -1.26 -3.35 116.67 120.80 3kyp s ASP 111 Ca 0.00 1.28 -0.04 0.00 -0.00 0.00 0.00 52.55 53.80 3kyp s ASP 111 Cb 0.00 -2.39 -0.01 0.00 -0.00 0.00 0.00 42.92 40.52 3kyp s ASP 111 CO 0.00 -0.57 0.72 0.59 -0.00 0.00 0.00 175.17 175.90 3kyp n ASN 112 N -1.81 -6.63 -4.18 0.27 4.13 -1.26 -5.00 115.26 100.78 3kyp n ASN 112 Ca 0.04 -0.49 -0.17 0.00 1.68 0.00 0.00 54.58 55.64 3kyp n ASN 112 Cb 0.54 -4.18 -0.11 0.00 -1.54 0.00 0.00 39.78 34.49 3kyp n ASN 112 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 3kyp s TYR 119 N -3.11 1.17 -0.00 3.10 -0.85 -1.25 -5.14 117.35 111.26 3kyp s TYR 119 Ca 0.12 -0.54 0.02 0.00 -0.52 0.00 0.00 57.07 56.15 3kyp s TYR 119 Cb -0.03 -0.64 -0.01 0.00 0.38 0.00 0.00 41.96 41.66 3kyp s TYR 119 CO 0.80 0.05 -0.07 -1.59 -1.52 0.00 0.00 175.55 173.22 3kyp s LYS 120 N -2.25 0.57 0.14 -3.49 -2.85 -1.21 0.43 119.74 111.07 3kyp s LYS 120 Ca 0.02 -0.27 0.08 0.00 -1.00 0.00 0.00 55.97 54.79 3kyp s LYS 120 Cb -0.07 -0.54 -0.04 0.00 -2.06 0.00 0.00 37.83 35.12 3kyp s LYS 120 CO 0.02 0.15 -0.08 0.42 0.10 0.00 0.00 175.35 175.95 3kyp s ILE 121 N -0.21 3.36 -0.11 3.79 1.01 -0.97 -3.95 121.20 124.12 3kyp s ILE 121 Ca 0.02 -1.42 -0.06 0.00 0.00 0.00 0.00 60.65 59.20 3kyp s ILE 121 Cb -0.03 -2.62 0.05 0.00 0.01 0.00 0.00 42.46 39.87 3kyp s ILE 121 CO -0.00 0.01 0.26 0.42 0.00 0.00 0.00 174.94 175.63 3kyp s THR 122 N -1.44 -0.05 -0.29 2.92 -4.23 -1.16 -0.65 115.64 110.73 3kyp s THR 122 Ca 0.23 0.15 -0.07 0.00 -1.18 0.00 0.00 61.69 60.82 3kyp s THR 122 Cb -0.10 -0.40 0.01 0.00 1.34 0.00 0.00 72.50 73.35 3kyp s THR 122 CO 0.15 0.06 0.07 -0.36 -0.54 0.00 0.00 174.62 174.00 3kyp s PHE 123 N 1.31 3.14 -0.16 3.99 0.40 0.13 -1.81 117.98 124.98 3kyp s PHE 123 Ca -0.09 -0.97 -0.14 0.00 -0.60 0.00 0.00 56.93 55.14 3kyp s PHE 123 Cb -0.10 -2.24 -0.05 0.00 0.51 0.00 0.00 43.02 41.14 3kyp s PHE 123 CO -0.09 -0.57 0.30 0.42 0.70 0.00 0.00 175.22 175.98 3kyp s ILE 124 N 1.50 5.30 0.26 0.64 1.01 -0.95 -1.18 121.20 127.78 3kyp s ILE 124 Ca 0.03 0.56 0.11 0.00 0.00 0.00 0.00 60.65 61.35 3kyp s ILE 124 Cb -0.17 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 3kyp s ILE 124 CO 0.02 0.39 -0.14 -0.36 0.00 0.00 0.00 174.94 174.86 3kyp s PHE 125 N 0.42 2.44 0.00 3.97 0.40 -0.62 -0.39 117.98 124.20 3kyp s PHE 125 Ca 0.17 -0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.21 3kyp s PHE 125 Cb -0.13 -1.08 0.00 0.00 0.51 0.00 0.00 43.02 42.32 3kyp s PHE 125 CO 0.04 0.66 0.00 0.41 0.70 0.00 0.00 175.22 177.03 3kyp n GLY 126 N -0.59 2.50 2.26 4.36 0.00 -1.26 -4.75 105.19 107.71 3kyp n GLY 126 Ca -0.06 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3kyp n GLY 126 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kyp n GLU 127 N 0.00 0.00 0.00 1.61 2.13 -1.26 -4.83 120.64 118.29 3kyp n GLU 127 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3kyp n GLU 127 Cb 0.00 -0.75 0.00 0.00 0.27 0.00 0.00 31.44 30.96 3kyp n GLU 127 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 3kyp n LYS 128 N 3.22 0.00 -4.50 5.31 -0.00 -1.26 -5.14 118.16 115.79 3kyp n LYS 128 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.10 3kyp n LYS 128 Cb 0.34 0.00 -0.15 0.00 -0.00 0.00 0.00 35.03 35.22 3kyp n LYS 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kyp s ALA 129 N -1.98 1.02 0.00 0.58 0.00 -1.26 -4.79 121.76 115.33 3kyp s ALA 129 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.39 3kyp s ALA 129 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.88 3kyp s ALA 129 CO 0.00 0.24 0.00 0.36 0.00 0.00 0.00 175.76 176.36 3kyp n LYS 130 N 2.62 0.00 -3.51 0.00 2.85 -1.26 -5.00 118.16 113.86 3kyp n LYS 130 Ca -0.15 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 56.97 3kyp n LYS 130 Cb 0.56 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.89 3kyp n LYS 130 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 3kyp s GLU 131 N 0.00 0.99 0.00 -1.58 -6.30 -1.26 -1.38 118.70 109.17 3kyp s GLU 131 Ca 0.00 0.02 0.00 0.00 -2.50 0.00 0.00 54.97 52.49 3kyp s GLU 131 Cb 0.00 0.46 0.00 0.00 0.00 0.00 0.00 34.13 34.59 3kyp s GLU 131 CO 0.00 -0.36 0.00 0.34 0.02 0.00 0.00 175.26 175.26 3kyp n PHE 132 N 0.46 0.00 -4.25 5.30 -0.00 0.31 -4.73 117.46 114.55 3kyp n PHE 132 Ca -0.16 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.11 3kyp n PHE 132 Cb 0.59 0.00 -0.11 0.00 -0.00 0.00 0.00 39.48 39.96 3kyp n PHE 132 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kyp s MET 133 N 0.00 1.06 0.20 -4.13 0.23 -1.26 -4.97 119.30 110.43 3kyp s MET 133 Ca 0.00 -1.29 -0.11 0.00 -1.03 0.00 0.00 55.69 53.26 3kyp s MET 133 Cb 0.00 -0.93 0.26 0.00 -1.53 0.00 0.00 34.83 32.63 3kyp s MET 133 CO 0.00 0.17 1.69 0.93 -2.03 0.00 0.00 175.02 175.79 3kyp h GLU 134 N 3.39 0.19 -5.84 3.16 4.39 -1.86 -3.40 114.58 114.60 3kyp h GLU 134 Ca -0.40 -0.01 -0.58 0.00 0.34 0.00 0.00 59.36 58.71 3kyp h GLU 134 Cb 1.20 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.74 3kyp h GLU 134 CO 0.52 0.12 -0.15 -2.14 -1.16 0.00 0.00 179.01 176.21 3kyp s PRO 135 N -6.13 4.23 -0.07 2.33 0.02 -1.26 -1.59 135.00 132.52 3kyp s PRO 135 Ca -0.13 0.46 0.05 0.00 0.02 0.00 0.00 61.00 61.40 3kyp s PRO 135 Cb 0.17 -3.37 -0.00 0.00 0.02 0.00 0.00 34.50 31.32 3kyp s PRO 135 CO 0.73 0.33 -0.23 -0.51 -0.33 0.00 0.00 177.00 176.99 3kyp s LEU 136 N 0.06 2.03 0.15 -5.54 1.43 -0.33 -4.97 118.68 111.50 3kyp s LEU 136 Ca 0.26 -0.49 0.09 0.00 -1.03 0.00 0.00 54.13 52.95 3kyp s LEU 136 Cb -0.16 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 3kyp s LEU 136 CO 0.12 0.19 -0.21 -0.89 0.23 0.00 0.00 176.35 175.78 3kyp s THR 137 N 0.09 1.95 -0.39 5.49 2.01 -1.26 0.20 115.64 123.73 3kyp s THR 137 Ca -0.10 -1.80 0.05 0.00 0.31 0.00 0.00 61.69 60.16 3kyp s THR 137 Cb -0.15 -1.83 0.17 0.00 0.01 0.00 0.00 72.50 70.70 3kyp s THR 137 CO 0.05 -0.14 0.49 -0.22 -0.69 0.00 0.00 174.62 174.11 3kyp s LEU 138 N -2.35 -0.71 0.68 4.42 0.20 0.17 -3.21 118.68 117.89 3kyp s LEU 138 Ca 0.13 -1.24 -0.13 0.00 0.69 0.00 0.00 54.13 53.58 3kyp s LEU 138 Cb -0.08 1.19 0.01 0.00 -0.43 0.00 0.00 46.19 46.87 3kyp s LEU 138 CO 0.06 -0.22 1.09 -0.69 -0.29 0.00 0.00 176.35 176.30 3kyp s VAL 139 N 1.60 3.50 -0.45 1.68 1.01 -1.26 -2.29 120.40 124.19 3kyp s VAL 139 Ca 0.17 0.61 0.09 0.00 0.00 0.00 0.00 61.98 62.85 3kyp s VAL 139 Cb -0.10 -3.15 0.37 0.00 0.00 0.00 0.00 36.38 33.50 3kyp s VAL 139 CO -0.04 -0.52 0.89 0.29 0.00 0.00 0.00 175.10 175.71 3kyp n LYS 140 N -2.76 2.15 -1.72 2.72 4.76 0.17 -4.83 118.16 118.65 3kyp n LYS 140 Ca 0.09 -4.06 -0.42 0.00 -2.87 0.00 0.00 58.31 51.05 3kyp n LYS 140 Cb 0.53 -1.91 -0.01 0.00 -1.84 0.00 0.00 35.03 31.79 3kyp n LYS 140 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 3kyp n HIS 141 N -0.06 2.60 -4.14 2.13 -0.00 -1.26 -3.91 115.22 110.58 3kyp n HIS 141 Ca 0.27 0.39 -0.15 0.00 -0.00 0.00 0.00 57.72 58.23 3kyp n HIS 141 Cb 0.58 -2.52 -0.11 0.00 -0.00 0.00 0.00 29.99 27.94 3kyp n HIS 141 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3kyp s VAL 142 N -0.45 0.85 0.01 0.61 1.01 -1.26 -1.15 120.40 120.03 3kyp s VAL 142 Ca 0.61 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3kyp s VAL 142 Cb -0.54 -1.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.78 3kyp s VAL 142 CO 0.54 -0.42 0.01 1.07 0.00 0.00 0.00 175.10 176.30 3kyp n THR 143 N 1.02 0.00 0.00 3.92 5.66 -1.26 -4.99 114.28 118.63 3kyp n THR 143 Ca -0.19 -0.10 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 3kyp n THR 143 Cb 0.56 0.04 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 3kyp n THR 143 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 3kyp n PHE 144 N -0.03 0.00 -1.00 1.09 3.01 -1.26 -4.81 117.46 114.46 3kyp n PHE 144 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3kyp n PHE 144 Cb 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 3kyp n PHE 144 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 3kyp n GLU 149 N 0.00 0.00 -4.20 -1.08 0.00 -1.26 -5.27 120.64 108.83 3kyp n GLU 149 Ca 0.00 0.33 -0.23 0.00 0.00 0.00 0.00 57.16 57.27 3kyp n GLU 149 Cb 0.00 -0.66 -0.17 0.00 0.00 0.00 0.00 31.44 30.61 3kyp n GLU 149 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3kyp s LYS 150 N -0.30 1.17 0.07 3.44 1.02 -1.26 -4.55 119.74 119.32 3kyp s LYS 150 Ca 0.00 -0.20 -0.01 0.00 0.02 0.00 0.00 55.97 55.78 3kyp s LYS 150 Cb 0.00 -1.14 0.02 0.00 -0.52 0.00 0.00 37.83 36.19 3kyp s LYS 150 CO 0.00 -0.10 0.05 0.28 -0.92 0.00 0.00 175.35 174.65 3kyp n VAL 151 N 4.24 0.00 0.00 3.17 0.31 -0.30 -4.98 118.33 120.78 3kyp n VAL 151 Ca -0.20 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3kyp n VAL 151 Cb 0.51 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 3kyp n VAL 151 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3kyp n VAL 152 N -2.92 0.00 -0.83 2.52 0.24 -1.26 -4.78 118.33 111.30 3kyp n VAL 152 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 3kyp n VAL 152 Cb 0.03 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 3kyp n VAL 152 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3kyp n GLU 153 N 0.00 -2.19 0.00 7.34 4.71 -1.26 -4.79 120.64 124.45 3kyp n GLU 153 Ca 0.00 1.70 0.00 0.00 -0.01 0.00 0.00 57.16 58.85 3kyp n GLU 153 Cb 0.00 -2.11 0.00 0.00 -1.01 0.00 0.00 31.44 28.32 3kyp n GLU 153 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kyp s THR 155 N -2.00 3.33 0.94 0.00 2.01 -1.20 -5.01 115.64 113.71 3kyp s THR 155 Ca 0.00 0.70 -0.11 0.00 0.31 0.00 0.00 61.69 62.59 3kyp s THR 155 Cb 0.00 -3.23 0.16 0.00 0.01 0.00 0.00 72.50 69.44 3kyp s THR 155 CO 0.00 -0.30 1.10 -0.13 -0.69 0.00 0.00 174.62 174.60 3kyp s ARG 156 N -3.76 0.87 0.00 4.92 0.52 -1.26 -4.97 118.95 115.27 3kyp s ARG 156 Ca 0.68 1.12 0.00 0.00 -0.52 0.00 0.00 55.73 57.01 3kyp s ARG 156 Cb -0.21 -1.74 0.00 0.00 0.52 0.00 0.00 34.95 33.52 3kyp s ARG 156 CO 0.34 -2.59 0.00 0.44 0.02 0.00 0.00 175.30 173.51 3kyp n ILE 157 N -4.16 0.00 -0.49 1.52 -5.35 -1.26 -4.92 119.36 104.69 3kyp n ILE 157 Ca 0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.56 3kyp n ILE 157 Cb 0.54 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.44 3kyp n ILE 157 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3kyp n LYS 158 N 0.00 0.00 -2.50 6.28 5.02 -1.26 -3.71 118.16 121.99 3kyp n LYS 158 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 3kyp n LYS 158 Cb 0.00 -0.61 -0.03 0.00 -0.02 0.00 0.00 35.03 34.37 3kyp n LYS 158 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3kyp s TRP 159 N -1.54 2.97 0.15 2.13 0.52 -1.26 0.11 118.94 122.02 3kyp s TRP 159 Ca 0.00 1.58 -0.27 0.00 0.02 0.00 0.00 56.10 57.43 3kyp s TRP 159 Cb 0.00 -3.11 -0.07 0.00 -1.15 0.00 0.00 33.47 29.14 3kyp s TRP 159 CO 0.00 -0.93 0.83 0.15 0.02 0.00 0.00 176.95 177.02 3kyp s LYS 160 N -3.17 4.63 0.09 4.98 1.02 -0.48 -4.84 119.74 121.97 3kyp s LYS 160 Ca 0.67 1.25 -0.32 0.00 0.02 0.00 0.00 55.97 57.60 3kyp s LYS 160 Cb -0.18 -3.30 -0.17 0.00 -0.52 0.00 0.00 37.83 33.66 3kyp s LYS 160 CO 0.22 0.46 0.75 0.39 -0.92 0.00 0.00 175.35 176.25 3kyp n GLU 161 N 1.94 0.00 -0.35 1.68 1.02 -1.26 -1.39 120.64 122.29 3kyp n GLU 161 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 3kyp n GLU 161 Cb 0.49 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 3kyp n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kyp n GLY 162 N 1.60 1.87 0.00 0.62 0.00 -1.26 -4.99 105.19 103.02 3kyp n GLY 162 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3kyp n GLY 162 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kyp n LYS 163 N -2.00 2.34 0.00 1.61 4.76 -0.49 -5.07 118.16 119.31 3kyp n LYS 163 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3kyp n LYS 163 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3kyp n LYS 163 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3kyp n ASN 164 N 0.00 0.00 -0.02 4.39 2.85 -1.26 -4.77 115.26 116.45 3kyp n ASN 164 Ca 0.00 0.00 -0.06 0.00 -0.11 0.00 0.00 54.58 54.41 3kyp n ASN 164 Cb 0.00 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.00 3kyp n ASN 164 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3kyp n PRO 165 N 0.83 0.25 -3.17 1.20 -0.04 -1.26 -4.87 135.00 127.94 3kyp n PRO 165 Ca 0.00 0.10 -0.18 0.00 -0.04 0.00 0.00 63.50 63.38 3kyp n PRO 165 Cb 0.00 -0.93 0.02 0.00 -0.04 0.00 0.00 33.50 32.55 3kyp n PRO 165 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3kyp n ILE 166 N -3.88 -6.63 -0.06 0.52 2.08 -1.26 -4.90 119.36 105.23 3kyp n ILE 166 Ca -0.09 0.62 0.00 0.00 0.56 0.00 0.00 62.75 63.83 3kyp n ILE 166 Cb 0.31 -4.93 0.00 0.00 -0.75 0.00 0.00 39.64 34.26 3kyp n ILE 166 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kyp n ALA 167 N 0.17 0.00 -2.70 -1.39 0.00 -1.26 -5.08 120.51 110.26 3kyp n ALA 167 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 3kyp n ALA 167 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.95 3kyp n ALA 167 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3kyp n LYS 182 N -0.09 -2.75 -1.85 0.00 0.00 -1.22 -5.14 118.16 107.11 3kyp n LYS 182 Ca 0.00 0.68 -0.16 0.00 0.00 0.00 0.00 58.31 58.83 3kyp n LYS 182 Cb 0.00 -5.35 0.08 0.00 0.00 0.00 0.00 35.03 29.77 3kyp n LYS 182 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.40 174.73 3kyp n TRP 183 N -3.75 -3.17 -4.06 5.64 4.27 -1.24 -4.80 117.44 110.33 3kyp n TRP 183 Ca -0.13 -1.13 -0.32 0.00 -3.89 0.00 0.00 57.50 52.03 3kyp n TRP 183 Cb 0.61 -0.50 -0.16 0.00 -1.36 0.00 0.00 31.31 29.90 3kyp n TRP 183 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 3kyp s SER 184 N -3.73 3.52 0.60 -0.67 0.15 -1.26 -3.17 113.70 109.14 3kyp s SER 184 Ca 0.44 -0.90 0.28 0.00 0.70 0.00 0.00 55.95 56.47 3kyp s SER 184 Cb -0.02 -1.40 1.08 0.00 -1.71 0.00 0.00 66.02 63.97 3kyp s SER 184 CO 0.30 -0.10 1.46 -0.29 1.20 0.00 0.00 173.24 175.81 3kyp h ILE 185 N 6.30 0.09 0.00 6.45 2.10 -1.95 0.72 117.51 131.22 3kyp h ILE 185 Ca -0.33 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.61 3kyp h ILE 185 Cb 1.10 0.17 0.00 0.00 -1.09 0.00 0.00 36.82 37.00 3kyp h ILE 185 CO 0.53 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 178.09 3kyp n PHE 186 N -3.36 0.12 0.24 2.19 3.72 -1.26 -1.93 117.46 117.17 3kyp n PHE 186 Ca 0.20 0.04 0.10 0.00 -0.05 0.00 0.00 57.45 57.74 3kyp n PHE 186 Cb 1.31 -0.57 0.58 0.00 -0.94 0.00 0.00 39.48 39.87 3kyp n PHE 186 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3kyp h GLU 187 N 0.00 0.00 -0.14 -1.08 5.08 0.04 -1.17 114.58 117.31 3kyp h GLU 187 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3kyp h GLU 187 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3kyp h GLU 187 CO 0.00 0.20 0.13 2.35 -1.00 0.00 0.00 179.01 180.69 3kyp h TRP 188 N 0.00 0.00 -0.13 4.33 7.01 -1.56 0.03 115.95 125.64 3kyp h TRP 188 Ca -0.00 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 60.92 3kyp h TRP 188 Cb 0.52 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.55 3kyp h TRP 188 CO 0.00 0.00 0.10 1.19 -2.79 0.00 0.00 178.44 176.94 3kyp n PHE 189 N -4.03 0.41 0.00 2.65 3.72 -0.44 -4.71 117.46 115.06 3kyp n PHE 189 Ca 0.00 -1.03 0.00 0.00 -0.05 0.00 0.00 57.45 56.37 3kyp n PHE 189 Cb 0.25 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.28 3kyp n PHE 189 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3kyp n THR 190 N 0.83 0.00 0.00 4.37 -2.24 -0.00 -4.82 114.28 112.41 3kyp n THR 190 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3kyp n THR 190 Cb 0.57 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 3kyp n THR 190 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 3kyp n THR 191 N 0.00 0.00 -1.86 4.28 5.66 -1.26 -4.65 114.28 116.45 3kyp n THR 191 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3kyp n THR 191 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3kyp n THR 191 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3kyp n ASP 192 N 0.00 0.00 0.00 1.09 5.68 -1.26 -4.63 116.55 117.43 3kyp n ASP 192 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 3kyp n ASP 192 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3kyp n ASP 192 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 3kyp n GLU 193 N 0.00 0.00 -3.52 0.11 4.07 -1.26 -4.84 120.64 115.20 3kyp n GLU 193 Ca 0.00 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.91 3kyp n GLU 193 Cb 0.00 -0.33 0.08 0.00 -0.06 0.00 0.00 31.44 31.13 3kyp n GLU 193 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 3kyp n LEU 194 N 0.00 -3.72 -4.89 4.31 -0.00 -1.26 -4.97 117.00 106.46 3kyp n LEU 194 Ca 0.00 -0.64 -0.30 0.00 -0.00 0.00 0.00 56.01 55.07 3kyp n LEU 194 Cb 0.00 -3.02 -0.04 0.00 -0.00 0.00 0.00 43.42 40.36 3kyp n LEU 194 CO 0.00 0.44 0.17 -1.10 -0.00 0.00 0.00 177.39 176.90 3kyp s GLN 195 N -5.68 3.69 0.00 1.96 -1.52 -1.26 -4.06 119.66 112.78 3kyp s GLN 195 Ca 0.14 0.07 0.00 0.00 -1.95 0.00 0.00 55.36 53.62 3kyp s GLN 195 Cb -0.06 -2.70 0.00 0.00 -0.22 0.00 0.00 33.01 30.03 3kyp s GLN 195 CO 0.75 0.31 0.00 -0.25 -0.25 0.00 0.00 175.29 175.85 3kyp n ASP 196 N -0.43 0.00 -4.69 5.90 8.00 -1.26 -4.91 116.55 119.16 3kyp n ASP 196 Ca -0.01 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.07 3kyp n ASP 196 Cb 0.53 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 3kyp n ASP 196 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3kyp s LYS 197 N 0.00 4.18 0.00 -1.24 1.02 -1.26 -4.84 119.74 117.60 3kyp s LYS 197 Ca 0.00 2.43 0.00 0.00 0.02 0.00 0.00 55.97 58.42 3kyp s LYS 197 Cb 0.00 -3.58 0.00 0.00 -0.52 0.00 0.00 37.83 33.73 3kyp s LYS 197 CO 0.00 -0.77 0.00 -2.30 -0.92 0.00 0.00 175.35 171.36 3kyp n PRO 198 N 5.57 0.00 -2.65 -1.68 -0.02 -1.26 -4.82 135.00 130.14 3kyp n PRO 198 Ca 0.16 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.62 3kyp n PRO 198 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.88 3kyp n PRO 198 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3kyp n ASP 199 N -1.29 -6.62 -0.15 2.55 2.03 -1.26 -4.83 116.55 106.97 3kyp n ASP 199 Ca 0.00 0.16 0.08 0.00 0.52 0.00 0.00 54.79 55.55 3kyp n ASP 199 Cb 0.00 -4.42 0.40 0.00 -0.72 0.00 0.00 41.12 36.38 3kyp n ASP 199 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3kyp h VAL 200 N 0.90 0.97 -0.81 5.18 2.07 -1.94 -2.91 116.25 119.71 3kyp h VAL 200 Ca 0.00 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.34 3kyp h VAL 200 Cb 0.90 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 3kyp h VAL 200 CO 0.20 0.12 0.53 1.23 0.02 0.00 0.00 177.57 179.67 3kyp h GLY 201 N 0.64 1.14 0.32 2.17 0.00 -1.96 -2.38 103.07 103.00 3kyp h GLY 201 Ca 0.31 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 3kyp h GLY 201 CO -0.10 0.32 -0.12 0.83 0.00 0.00 0.00 176.54 177.48 3kyp h GLU 202 N 0.98 0.08 -0.66 4.80 4.39 -1.87 -2.94 114.58 119.37 3kyp h GLU 202 Ca 0.33 -0.09 0.09 0.00 0.34 0.00 0.00 59.36 60.03 3kyp h GLU 202 Cb 0.08 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 3kyp h GLU 202 CO -0.10 0.86 0.44 -0.07 -1.16 0.00 0.00 179.01 178.97 3kyp h LEU 203 N -0.66 0.49 -1.04 1.33 3.38 -1.59 1.30 115.31 118.51 3kyp h LEU 203 Ca -0.01 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3kyp h LEU 203 Cb 0.90 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3kyp h LEU 203 CO 0.02 0.30 -0.48 0.40 0.09 0.00 0.00 178.44 178.77 3kyp h ILE 204 N 0.54 1.34 0.00 1.22 2.04 -1.48 -2.83 117.51 118.36 3kyp h ILE 204 Ca 0.30 -1.64 -0.17 0.00 1.00 0.00 0.00 64.86 64.35 3kyp h ILE 204 Cb 0.46 1.88 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 3kyp h ILE 204 CO -0.09 0.47 -1.82 -1.14 0.00 0.00 0.00 178.15 175.57 3kyp n ARG 205 N -3.97 0.65 0.00 2.37 0.63 -0.05 -1.45 116.66 114.84 3kyp n ARG 205 Ca -0.02 0.05 0.15 0.00 -0.92 0.00 0.00 57.85 57.11 3kyp n ARG 205 Cb 0.50 -1.66 0.80 0.00 0.45 0.00 0.00 32.46 32.55 3kyp n ARG 205 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3kyp n ARG 206 N -2.68 0.56 0.00 -0.14 1.74 0.43 -4.82 116.66 111.75 3kyp n ARG 206 Ca -0.14 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 3kyp n ARG 206 Cb 0.85 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.79 3kyp n ARG 206 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3kyp n GLU 207 N -1.21 0.00 -0.29 5.56 0.28 -1.08 -5.00 120.64 118.90 3kyp n GLU 207 Ca 0.16 0.00 0.34 0.00 -0.16 0.00 0.00 57.16 57.50 3kyp n GLU 207 Cb 0.21 0.00 0.74 0.00 1.43 0.00 0.00 31.44 33.83 3kyp n GLU 207 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 3kyp h ILE 208 N 0.00 0.44 0.18 3.84 2.04 -1.65 -2.18 117.51 120.18 3kyp h ILE 208 Ca 0.00 -0.00 -0.32 0.00 1.00 0.00 0.00 64.86 65.54 3kyp h ILE 208 Cb 0.00 0.44 0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3kyp h ILE 208 CO 0.00 0.00 -1.56 -0.25 0.00 0.00 0.00 178.15 176.34 3kyp h TRP 209 N 0.00 0.68 -0.00 1.37 2.91 -1.51 -3.00 115.95 116.41 3kyp h TRP 209 Ca 0.53 -0.50 0.03 0.00 1.13 0.00 0.00 58.89 60.08 3kyp h TRP 209 Cb 2.14 -0.03 -0.06 0.00 -0.51 0.00 0.00 29.16 30.71 3kyp h TRP 209 CO -0.00 1.61 -0.48 1.25 -1.03 0.00 0.00 178.44 179.79 3kyp h HIS 210 N -0.03 -1.39 -3.00 2.65 2.76 -1.64 -3.32 115.15 111.19 3kyp h HIS 210 Ca -0.31 0.04 -0.62 0.00 -2.20 0.00 0.00 60.37 57.29 3kyp h HIS 210 Cb 1.99 0.61 -0.41 0.00 1.55 0.00 0.00 27.41 31.15 3kyp h HIS 210 CO 0.12 -0.54 -0.70 1.21 -1.30 0.00 0.00 177.93 176.72 3kyp s ASN 211 N -4.77 3.82 0.55 3.26 2.47 -1.21 -4.96 114.94 114.11 3kyp s ASN 211 Ca -0.16 -3.15 0.26 0.00 0.42 0.00 0.00 52.86 50.23 3kyp s ASN 211 Cb 0.08 -1.25 1.47 0.00 -1.45 0.00 0.00 41.25 40.10 3kyp s ASN 211 CO 0.62 -0.19 2.03 1.55 -3.72 0.00 0.00 177.10 177.39 3kyp h PRO 212 N 6.11 0.00 -0.07 0.43 0.15 -1.63 -2.87 132.00 134.12 3kyp h PRO 212 Ca 0.07 0.00 -0.12 0.00 0.15 0.00 0.00 66.00 66.10 3kyp h PRO 212 Cb 0.86 0.00 -0.01 0.00 0.15 0.00 0.00 31.00 32.00 3kyp h PRO 212 CO 0.58 0.00 -0.50 1.25 0.15 0.00 0.00 178.00 179.47 3kyp h LEU 213 N 0.00 0.20 0.00 1.56 5.85 -1.93 -3.04 115.31 117.94 3kyp h LEU 213 Ca 0.17 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3kyp h LEU 213 Cb 0.79 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.76 3kyp h LEU 213 CO -0.00 0.67 0.00 -1.54 -0.34 0.00 0.00 178.44 177.23 3kyp n SER 214 N -3.95 0.00 -0.08 1.25 3.41 -1.08 -2.47 113.62 110.70 3kyp n SER 214 Ca -0.02 0.15 -0.09 0.00 -0.26 0.00 0.00 58.87 58.65 3kyp n SER 214 Cb 0.54 -0.31 -0.10 0.00 -0.26 0.00 0.00 64.21 64.08 3kyp n SER 214 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3kyp n TYR 215 N -1.31 0.00 0.02 7.33 4.01 -1.16 -4.40 117.16 121.64 3kyp n TYR 215 Ca 0.06 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.83 3kyp n TYR 215 Cb 0.11 -0.70 0.40 0.00 -0.31 0.00 0.00 39.34 38.84 3kyp n TYR 215 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 3kyp h TYR 216 N 0.00 0.49 -0.03 -0.72 3.20 -1.41 -3.45 116.97 115.05 3kyp h TYR 216 Ca -0.39 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.47 3kyp h TYR 216 Cb 1.78 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.89 3kyp h TYR 216 CO 0.01 0.37 0.00 1.28 -1.64 0.00 0.00 178.16 178.18