#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyp n GLN 31 N 0.00 0.00 0.00 2.12 3.00 -1.26 -4.85 117.38 116.39 3kyp n GLN 31 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 3kyp n GLN 31 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 30.24 30.46 3kyp n GLN 31 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 3kyp n ASP 32 N 0.00 0.95 -0.32 1.08 2.03 -1.26 -4.09 116.55 114.94 3kyp n ASP 32 Ca 0.00 -0.75 0.21 0.00 0.52 0.00 0.00 54.79 54.77 3kyp n ASP 32 Cb 0.00 0.34 0.41 0.00 -0.72 0.00 0.00 41.12 41.14 3kyp n ASP 32 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3kyp h PHE 33 N 0.75 0.48 -1.04 -0.67 3.04 -2.00 0.64 116.94 118.15 3kyp h PHE 33 Ca 0.00 0.05 0.27 0.00 3.98 0.00 0.00 57.97 62.27 3kyp h PHE 33 Cb 0.53 -0.05 -0.09 0.00 2.56 0.00 0.00 35.95 38.90 3kyp h PHE 33 CO 0.00 -0.34 0.67 0.93 -2.02 0.00 0.00 178.31 177.55 3kyp h GLU 34 N 0.12 0.37 0.00 1.11 3.07 -2.00 -2.25 114.58 115.00 3kyp h GLU 34 Ca 0.68 -0.02 -0.35 0.00 -0.50 0.00 0.00 59.36 59.17 3kyp h GLU 34 Cb 1.56 -0.08 -0.07 0.00 -0.84 0.00 0.00 28.75 29.32 3kyp h GLU 34 CO -0.75 0.24 -2.30 -3.47 -1.40 0.00 0.00 179.01 171.33 3kyp n ASP 35 N -4.60 0.42 -0.00 1.42 -0.08 0.22 -3.28 116.55 110.64 3kyp n ASP 35 Ca 0.25 -0.01 -0.09 0.00 -1.51 0.00 0.00 54.79 53.43 3kyp n ASP 35 Cb 0.88 0.89 -0.03 0.00 2.34 0.00 0.00 41.12 45.21 3kyp n ASP 35 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 3kyp h ILE 36 N 0.00 0.57 -0.41 5.18 2.04 -1.16 1.86 117.51 125.60 3kyp h ILE 36 Ca -0.52 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.46 3kyp h ILE 36 Cb 2.15 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.79 3kyp h ILE 36 CO 0.02 0.00 0.34 1.56 0.00 0.00 0.00 178.15 180.07 3kyp h GLN 37 N -0.20 0.00 -0.04 2.37 1.08 -1.59 0.50 115.11 117.24 3kyp h GLN 37 Ca 0.10 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.26 3kyp h GLN 37 Cb 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 3kyp h GLN 37 CO -0.25 0.00 -0.10 -0.22 -0.95 0.00 0.00 178.83 177.31 3kyp h LYS 38 N 0.00 0.13 -0.77 1.46 1.63 0.16 0.22 116.57 119.40 3kyp h LYS 38 Ca 0.19 -0.09 -0.05 0.00 -0.85 0.00 0.00 60.65 59.85 3kyp h LYS 38 Cb 0.86 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.48 3kyp h LYS 38 CO -0.00 0.71 0.28 -0.44 -3.45 0.00 0.00 179.45 176.55 3kyp h ASP 39 N -0.43 1.08 0.19 4.20 5.19 0.42 -1.56 116.42 125.53 3kyp h ASP 39 Ca -0.00 -0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.21 3kyp h ASP 39 Cb 0.72 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.95 3kyp h ASP 39 CO 0.02 0.98 -0.09 0.40 -3.12 0.00 0.00 179.24 177.43 3kyp h ILE 40 N 1.13 0.00 0.00 0.35 2.04 -0.10 -2.58 117.51 118.34 3kyp h ILE 40 Ca 0.25 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.05 3kyp h ILE 40 Cb 0.26 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3kyp h ILE 40 CO -0.02 0.00 0.28 1.21 0.00 0.00 0.00 178.15 179.63 3kyp n GLU 41 N -2.89 0.00 0.05 2.37 4.07 0.78 0.16 120.64 125.18 3kyp n GLU 41 Ca -0.03 0.21 -0.18 0.00 -0.06 0.00 0.00 57.16 57.10 3kyp n GLU 41 Cb 0.10 -1.78 -0.14 0.00 -0.06 0.00 0.00 31.44 29.56 3kyp n GLU 41 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 3kyp h GLN 42 N 0.00 0.26 -0.01 5.31 5.75 -0.89 -3.32 115.11 122.21 3kyp h GLN 42 Ca 0.00 -0.44 -0.26 0.00 -0.15 0.00 0.00 58.65 57.80 3kyp h GLN 42 Cb 0.57 0.17 0.02 0.00 1.07 0.00 0.00 27.48 29.30 3kyp h GLN 42 CO 0.00 1.11 -1.02 -0.07 -2.65 0.00 0.00 178.83 176.20 3kyp h LEU 43 N 0.07 0.88 -0.52 -2.39 3.38 0.18 -2.03 115.31 114.90 3kyp h LEU 43 Ca -0.30 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 56.97 3kyp h LEU 43 Cb 2.04 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.52 3kyp h LEU 43 CO 0.14 1.50 0.04 0.47 0.09 0.00 0.00 178.44 180.68 3kyp n ASP 44 N -3.85 0.20 -0.08 -0.43 9.92 -0.52 -0.25 116.55 121.54 3kyp n ASP 44 Ca -0.10 0.57 -0.09 0.00 -0.53 0.00 0.00 54.79 54.63 3kyp n ASP 44 Cb 0.87 -0.59 -0.10 0.00 -0.64 0.00 0.00 41.12 40.66 3kyp n ASP 44 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kyp n ILE 45 N -1.76 1.00 0.22 0.53 0.13 -1.13 -3.68 119.36 114.68 3kyp n ILE 45 Ca -0.01 -0.51 0.08 0.00 -1.10 0.00 0.00 62.75 61.22 3kyp n ILE 45 Cb 0.05 -0.85 0.50 0.00 -0.84 0.00 0.00 39.64 38.50 3kyp n ILE 45 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 3kyp h LYS 46 N 0.00 0.00 0.16 9.51 1.63 -0.32 -2.43 116.57 125.11 3kyp h LYS 46 Ca -0.39 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.12 3kyp h LYS 46 Cb 1.77 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 33.41 3kyp h LYS 46 CO -0.02 0.25 -1.33 0.00 -3.45 0.00 0.00 179.45 174.91 3kyp h ALA 48 N 0.47 -0.75 -1.05 0.00 0.00 -1.53 -1.76 119.26 114.64 3kyp h ALA 48 Ca -0.17 -0.05 0.30 0.00 0.00 0.00 0.00 54.91 54.99 3kyp h ALA 48 Cb 2.02 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.86 3kyp h ALA 48 CO 0.22 -0.73 0.75 1.25 0.00 0.00 0.00 179.25 180.74 3kyp h HIS 49 N -0.33 0.04 0.12 0.00 6.17 -1.64 0.57 115.15 120.08 3kyp h HIS 49 Ca -0.03 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.05 3kyp h HIS 49 Cb 0.19 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.11 3kyp h HIS 49 CO 0.12 0.00 -0.06 1.49 0.71 0.00 0.00 177.93 180.19 3kyp h GLU 50 N 0.02 -0.15 0.00 5.26 4.57 -1.44 -2.59 114.58 120.26 3kyp h GLU 50 Ca 0.50 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.66 3kyp h GLU 50 Cb 1.98 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 30.60 3kyp h GLU 50 CO -0.02 0.06 -0.16 1.96 -1.18 0.00 0.00 179.01 179.67 3kyp h GLN 51 N -0.35 0.00 0.00 1.92 4.20 0.86 -2.99 115.11 118.75 3kyp h GLN 51 Ca -0.02 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3kyp h GLN 51 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3kyp h GLN 51 CO 0.03 0.16 -0.00 1.98 -0.67 0.00 0.00 178.83 180.33 3kyp h MET 52 N 0.00 -0.00 -0.57 1.46 4.05 -0.18 -1.96 114.93 117.73 3kyp h MET 52 Ca -0.00 0.00 0.11 0.00 -0.28 0.00 0.00 59.70 59.53 3kyp h MET 52 Cb 0.70 0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 31.41 3kyp h MET 52 CO 0.02 0.19 0.08 -0.91 0.23 0.00 0.00 176.91 176.53 3kyp h ASN 53 N -0.20 -0.07 0.25 1.39 -0.26 -1.32 -1.58 115.58 113.79 3kyp h ASN 53 Ca -0.00 0.11 -0.00 0.00 -0.56 0.00 0.00 56.30 55.85 3kyp h ASN 53 Cb 0.20 0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.60 3kyp h ASN 53 CO 0.00 -0.02 -0.41 0.40 -1.06 0.00 0.00 177.43 176.34 3kyp h ILE 54 N 0.21 0.00 -1.68 2.81 2.04 -1.45 -1.20 117.51 118.24 3kyp h ILE 54 Ca 0.29 0.00 0.50 0.00 1.00 0.00 0.00 64.86 66.65 3kyp h ILE 54 Cb 0.44 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.43 3kyp h ILE 54 CO -0.41 0.00 1.18 -0.61 0.00 0.00 0.00 178.15 178.32 3kyp h GLN 55 N -0.70 0.02 -0.03 2.37 5.75 -0.53 0.64 115.11 122.63 3kyp h GLN 55 Ca -0.03 -0.00 -0.23 0.00 -0.15 0.00 0.00 58.65 58.24 3kyp h GLN 55 Cb 0.65 -0.00 0.02 0.00 1.07 0.00 0.00 27.48 29.21 3kyp h GLN 55 CO -0.14 0.01 -0.88 0.87 -2.65 0.00 0.00 178.83 176.04 3kyp h LYS 56 N 0.02 0.66 0.00 1.69 1.57 -0.67 -1.71 116.57 118.13 3kyp h LYS 56 Ca 0.84 -0.66 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 3kyp h LYS 56 Cb 3.21 0.18 -0.00 0.00 0.08 0.00 0.00 32.23 35.70 3kyp h LYS 56 CO -0.10 1.26 -0.05 1.96 -0.57 0.00 0.00 179.45 181.95 3kyp h GLN 57 N 0.31 0.00 0.02 3.15 4.20 0.93 -1.71 115.11 122.01 3kyp h GLN 57 Ca -0.10 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.26 3kyp h GLN 57 Cb 1.54 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.27 3kyp h GLN 57 CO 0.18 0.05 -2.12 0.66 -0.67 0.00 0.00 178.83 176.93 3kyp n TYR 58 N -3.73 0.54 0.23 2.96 4.01 -1.03 -3.05 117.16 117.09 3kyp n TYR 58 Ca -0.02 0.16 0.08 0.00 -0.16 0.00 0.00 57.90 57.95 3kyp n TYR 58 Cb 0.15 -1.09 0.55 0.00 -0.31 0.00 0.00 39.34 38.64 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 0.00 0.01 7.72 5.19 -1.04 -1.60 116.42 126.71 3kyp h ASP 59 Ca -0.45 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.95 3kyp h ASP 59 Cb 2.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.59 3kyp h ASP 59 CO 0.04 0.20 -0.06 -0.08 -3.12 0.00 0.00 179.24 176.22 3kyp h GLU 60 N 0.00 0.03 -0.01 3.56 4.57 -1.46 -3.30 114.58 117.96 3kyp h GLU 60 Ca -0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3kyp h GLU 60 Cb 0.42 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 3kyp h GLU 60 CO 0.03 0.96 0.01 0.87 -1.18 0.00 0.00 179.01 179.69 3kyp h LYS 61 N -0.89 0.00 0.00 1.92 1.57 -1.40 -1.69 116.57 116.08 3kyp h LYS 61 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3kyp h LYS 61 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.30 3kyp h LYS 61 CO 0.01 0.00 0.00 0.87 -0.57 0.00 0.00 179.45 179.76 3kyp h LYS 62 N 0.00 0.00 -0.14 3.15 1.57 -1.38 -3.36 116.57 116.41 3kyp h LYS 62 Ca 0.00 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3kyp h LYS 62 Cb 0.01 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.26 3kyp h LYS 62 CO -0.00 0.00 -0.39 0.87 -0.57 0.00 0.00 179.45 179.36 3kyp h LYS 63 N 0.00 -0.44 -0.13 3.15 1.57 -1.39 0.16 116.57 119.49 3kyp h LYS 63 Ca 0.00 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3kyp h LYS 63 Cb 0.78 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 3kyp h LYS 63 CO 0.00 -0.30 0.10 -1.00 -0.57 0.00 0.00 179.45 177.69 3kyp h PRO 64 N -0.46 0.00 0.00 3.15 0.13 -1.78 0.20 132.00 133.24 3kyp h PRO 64 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3kyp h PRO 64 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 3kyp h PRO 64 CO -0.39 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 178.66 3kyp n LEU 65 N -4.28 0.41 -0.77 1.56 4.77 0.48 -2.80 117.00 116.37 3kyp n LEU 65 Ca 0.00 0.61 0.03 0.00 -0.03 0.00 0.00 56.01 56.62 3kyp n LEU 65 Cb 0.22 -0.57 0.12 0.00 -2.33 0.00 0.00 43.42 40.86 3kyp n LEU 65 CO 0.32 -0.50 0.49 0.49 -1.33 0.00 0.00 177.39 176.86 3kyp n PHE 66 N -1.97 0.54 -0.91 -1.77 3.72 0.69 -3.84 117.46 113.92 3kyp n PHE 66 Ca 0.02 -0.20 -0.20 0.00 -0.05 0.00 0.00 57.45 57.02 3kyp n PHE 66 Cb 0.18 -0.16 0.06 0.00 -0.94 0.00 0.00 39.48 38.62 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 0.18 1.98 -0.01 -1.08 4.71 -1.12 -3.31 120.64 121.99 3kyp n GLU 67 Ca 0.08 -1.95 0.13 0.00 -0.01 0.00 0.00 57.16 55.41 3kyp n GLU 67 Cb 0.44 -1.77 0.68 0.00 -1.01 0.00 0.00 31.44 29.78 3kyp n GLU 67 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 3kyp n LYS 68 N -0.02 1.26 0.18 3.49 2.85 -1.25 -1.90 118.16 122.77 3kyp n LYS 68 Ca 0.38 -0.38 0.07 0.00 -1.05 0.00 0.00 58.31 57.32 3kyp n LYS 68 Cb 0.68 -1.43 0.24 0.00 -0.65 0.00 0.00 35.03 33.87 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 0.87 0.00 -0.44 -1.58 3.08 -1.90 -2.07 114.38 112.33 3kyp h ARG 69 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 3kyp h ARG 69 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3kyp h ARG 69 CO 0.00 0.34 -0.00 -0.44 -1.07 0.00 0.00 179.97 178.79 3kyp h ASP 70 N 0.00 0.77 -0.32 7.04 5.19 -1.70 2.45 116.42 129.85 3kyp h ASP 70 Ca -0.00 -0.31 -0.14 0.00 -0.62 0.00 0.00 57.03 55.96 3kyp h ASP 70 Cb 1.05 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.34 3kyp h ASP 70 CO 0.04 0.89 -0.31 -0.33 -3.12 0.00 0.00 179.24 176.41 3kyp h GLU 71 N 0.62 0.84 0.01 3.56 3.07 -1.70 -3.30 114.58 117.68 3kyp h GLU 71 Ca 0.12 -0.40 -0.00 0.00 -0.50 0.00 0.00 59.36 58.59 3kyp h GLU 71 Cb 0.50 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3kyp h GLU 71 CO 0.02 1.03 -0.01 -0.84 -1.40 0.00 0.00 179.01 177.82 3kyp h ILE 72 N 0.71 1.16 -0.26 3.13 3.07 -1.10 -3.16 117.51 121.05 3kyp h ILE 72 Ca 0.08 -1.83 0.10 0.00 1.55 0.00 0.00 64.86 64.76 3kyp h ILE 72 Cb 0.87 2.17 -0.05 0.00 -0.27 0.00 0.00 36.82 39.54 3kyp h ILE 72 CO 0.08 0.39 0.10 0.00 -1.05 0.00 0.00 178.15 177.67 3kyp n ILE 73 N -4.69 -0.11 -0.53 0.16 3.06 0.82 -4.10 119.36 113.98 3kyp n ILE 73 Ca -0.07 0.55 0.00 0.00 -2.50 0.00 0.00 62.75 60.73 3kyp n ILE 73 Cb 0.31 -0.86 0.00 0.00 0.54 0.00 0.00 39.64 39.63 3kyp n ILE 73 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3kyp n GLN 74 N -3.76 0.00 0.00 9.51 6.02 -1.25 -4.90 117.38 123.00 3kyp n GLN 74 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 3kyp n GLN 74 Cb 0.30 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.56 3kyp n GLN 74 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 3kyp n LYS 75 N 0.00 0.00 -3.96 -1.09 -0.00 -1.26 -4.63 118.16 107.22 3kyp n LYS 75 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.00 3kyp n LYS 75 Cb 0.00 -0.36 -0.15 0.00 -0.00 0.00 0.00 35.03 34.51 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 0.00 1.74 -0.00 0.58 1.01 -1.19 -5.06 121.20 118.28 3kyp s ILE 76 Ca 0.00 -1.52 -0.30 0.00 0.00 0.00 0.00 60.65 58.83 3kyp s ILE 76 Cb 0.00 -2.04 -0.07 0.00 0.01 0.00 0.00 42.46 40.36 3kyp s ILE 76 CO 0.00 -0.22 1.75 -2.84 0.00 0.00 0.00 174.94 173.63 3kyp s PRO 77 N 1.26 4.17 -1.46 2.79 0.02 -1.26 -3.14 135.00 137.38 3kyp s PRO 77 Ca -0.02 2.35 -0.08 0.00 0.02 0.00 0.00 61.00 63.26 3kyp s PRO 77 Cb -0.19 -3.97 0.03 0.00 0.02 0.00 0.00 34.50 30.39 3kyp s PRO 77 CO -0.08 -0.86 0.88 0.41 -0.33 0.00 0.00 177.00 177.02 3kyp n GLY 78 N 4.24 -0.53 0.09 0.52 0.00 -1.26 -4.93 105.19 103.32 3kyp n GLY 78 Ca 0.18 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.26 3kyp n GLY 78 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3kyp h PHE 79 N -1.96 -0.12 -0.33 1.61 3.57 -1.88 -2.21 116.94 115.61 3kyp h PHE 79 Ca -0.55 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 60.83 3kyp h PHE 79 Cb 1.36 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.13 3kyp h PHE 79 CO 0.54 -0.05 -0.28 -1.49 -2.23 0.00 0.00 178.31 174.80 3kyp h TRP 80 N -0.17 0.79 -0.30 0.41 -0.00 -1.89 -1.43 115.95 113.36 3kyp h TRP 80 Ca -0.01 -0.19 0.04 0.00 -0.00 0.00 0.00 58.89 58.72 3kyp h TRP 80 Cb 0.13 -0.18 -0.04 0.00 -0.00 0.00 0.00 29.16 29.07 3kyp h TRP 80 CO -0.06 0.89 0.09 0.00 -0.00 0.00 0.00 178.44 179.36 3kyp h ALA 81 N 1.09 0.33 -0.00 1.49 0.00 -1.69 -1.96 119.26 118.52 3kyp h ALA 81 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kyp h ALA 81 Cb 0.78 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3kyp h ALA 81 CO 0.06 -0.32 -0.06 0.09 0.00 0.00 0.00 179.25 179.02 3kyp n ASN 82 N -5.05 0.15 -0.09 0.00 3.02 -0.84 -3.62 115.26 108.83 3kyp n ASN 82 Ca -0.00 -0.11 -0.16 0.00 -0.03 0.00 0.00 54.58 54.28 3kyp n ASN 82 Cb 0.12 -0.25 -0.09 0.00 -0.61 0.00 0.00 39.78 38.95 3kyp n ASN 82 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3kyp h THR 83 N 0.14 0.85 0.92 3.41 2.02 -0.54 -3.37 112.91 116.34 3kyp h THR 83 Ca 0.00 -1.92 -0.04 0.00 0.77 0.00 0.00 66.41 65.22 3kyp h THR 83 Cb 0.37 1.88 0.01 0.00 -1.74 0.00 0.00 68.15 68.67 3kyp h THR 83 CO 0.00 0.29 -0.44 -0.07 0.37 0.00 0.00 175.52 175.67 3kyp h LEU 84 N -1.00 -1.04 -1.27 2.58 3.38 -1.54 -2.67 115.31 113.75 3kyp h LEU 84 Ca -0.20 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.82 3kyp h LEU 84 Cb 1.02 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 3kyp h LEU 84 CO -0.12 -0.74 0.59 0.08 0.09 0.00 0.00 178.44 178.34 3kyp h ARG 85 N -1.24 0.00 -0.10 1.13 0.11 -1.80 0.79 114.38 113.26 3kyp h ARG 85 Ca -0.13 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.95 3kyp h ARG 85 Cb 0.94 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.02 3kyp h ARG 85 CO 0.21 0.00 0.00 1.63 0.10 0.00 0.00 179.97 181.91 3kyp n LYS 86 N -2.79 1.54 -2.65 0.08 5.02 -1.01 -4.25 118.16 114.10 3kyp n LYS 86 Ca -0.00 -0.80 -0.42 0.00 -2.02 0.00 0.00 58.31 55.06 3kyp n LYS 86 Cb 0.63 -1.39 -0.04 0.00 -0.02 0.00 0.00 35.03 34.21 3kyp n LYS 86 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3kyp s HIS 87 N -1.87 3.66 0.00 2.13 2.46 0.27 -4.99 115.29 116.95 3kyp s HIS 87 Ca 0.33 1.66 0.00 0.00 0.47 0.00 0.00 55.06 57.52 3kyp s HIS 87 Cb 0.17 -3.16 0.00 0.00 -0.13 0.00 0.00 32.58 29.46 3kyp s HIS 87 CO 0.27 -0.20 0.00 -2.30 -2.47 0.00 0.00 174.74 170.04 3kyp n PRO 88 N 3.43 3.45 0.00 2.88 -0.02 -1.26 -2.64 135.00 140.84 3kyp n PRO 88 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3kyp n PRO 88 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.97 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 -2.59 0.00 -0.01 3.55 0.00 -1.26 -2.95 120.51 117.25 3kyp n ALA 89 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 3kyp n ALA 89 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3kyp n ALA 89 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kyp n LEU 90 N -0.76 0.89 0.00 0.00 4.32 -1.26 -4.80 117.00 115.40 3kyp n LEU 90 Ca 0.00 0.14 0.13 0.00 -0.02 0.00 0.00 56.01 56.26 3kyp n LEU 90 Cb 0.31 -0.43 0.59 0.00 -1.62 0.00 0.00 43.42 42.28 3kyp n LEU 90 CO 0.00 -0.50 0.93 -1.20 -1.22 0.00 0.00 177.39 175.39 3kyp n SER 91 N -3.37 0.00 -4.75 -1.43 7.64 -1.15 -4.81 113.62 105.74 3kyp n SER 91 Ca -0.04 0.33 -0.35 0.00 1.01 0.00 0.00 58.87 59.82 3kyp n SER 91 Cb 0.16 -0.44 0.04 0.00 -1.01 0.00 0.00 64.21 62.96 3kyp n SER 91 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3kyp s ASP 92 N -2.88 5.06 -0.48 6.43 3.84 -1.08 -4.09 116.67 123.47 3kyp s ASP 92 Ca 0.16 2.25 -0.05 0.00 -0.00 0.00 0.00 52.55 54.91 3kyp s ASP 92 Cb 0.17 -2.58 0.01 0.00 -1.38 0.00 0.00 42.92 39.14 3kyp s ASP 92 CO 0.46 -1.67 0.52 -0.38 -0.00 0.00 0.00 175.17 174.09 3kyp n ILE 93 N -1.97 -8.59 -3.96 2.11 5.41 -1.26 -5.04 119.36 106.06 3kyp n ILE 93 Ca 0.12 0.18 -0.10 0.00 1.00 0.00 0.00 62.75 63.95 3kyp n ILE 93 Cb 0.51 -6.36 -0.11 0.00 -0.71 0.00 0.00 39.64 32.96 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 -2.70 0.10 -0.17 1.39 -7.23 -1.26 -4.17 120.40 106.36 3kyp s VAL 94 Ca 0.08 -0.79 -0.30 0.00 -1.81 0.00 0.00 61.98 59.16 3kyp s VAL 94 Cb -0.02 -0.25 -0.08 0.00 0.56 0.00 0.00 36.38 36.59 3kyp s VAL 94 CO 0.59 -0.43 2.12 -2.65 -0.31 0.00 0.00 175.10 174.42 3kyp n PRO 95 N 1.74 2.04 0.00 4.82 -0.02 -1.23 -4.75 135.00 137.60 3kyp n PRO 95 Ca -0.23 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3kyp n PRO 95 Cb 0.56 -3.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.04 3kyp n PRO 95 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3kyp n GLU 96 N 8.15 0.00 0.19 -0.52 0.00 -1.26 0.34 120.64 127.54 3kyp n GLU 96 Ca 0.29 0.25 0.05 0.00 0.00 0.00 0.00 57.16 57.75 3kyp n GLU 96 Cb 0.39 -1.67 0.49 0.00 0.00 0.00 0.00 31.44 30.64 3kyp n GLU 96 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3kyp h ASP 97 N 0.00 0.09 0.69 -1.84 5.19 -2.01 0.36 116.42 118.90 3kyp h ASP 97 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3kyp h ASP 97 Cb 0.35 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.83 3kyp h ASP 97 CO 0.00 0.21 -0.26 2.30 -3.12 0.00 0.00 179.24 178.37 3kyp n ILE 98 N -4.36 0.00 -0.03 0.35 -5.35 0.15 -3.17 119.36 106.96 3kyp n ILE 98 Ca -0.02 -0.01 -0.12 0.00 -0.27 0.00 0.00 62.75 62.34 3kyp n ILE 98 Cb 0.21 -0.08 -0.07 0.00 -1.74 0.00 0.00 39.64 37.96 3kyp n ILE 98 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 3kyp h ASP 99 N 0.07 0.17 -0.91 7.28 1.82 -0.38 1.34 116.42 125.81 3kyp h ASP 99 Ca 0.00 -0.27 0.17 0.00 -0.39 0.00 0.00 57.03 56.54 3kyp h ASP 99 Cb 0.49 -0.05 -0.07 0.00 0.68 0.00 0.00 39.33 40.38 3kyp h ASP 99 CO 0.00 0.40 0.59 0.40 -1.61 0.00 0.00 179.24 179.02 3kyp h ILE 100 N -0.06 0.75 0.15 2.25 2.04 -1.33 -0.85 117.51 120.46 3kyp h ILE 100 Ca 0.03 -0.20 -0.33 0.00 1.00 0.00 0.00 64.86 65.36 3kyp h ILE 100 Cb 0.31 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3kyp h ILE 100 CO 0.00 0.11 -1.64 -0.07 0.00 0.00 0.00 178.15 176.55 3kyp h LEU 101 N 0.58 0.50 -1.42 1.44 -0.00 -1.47 -3.37 115.31 111.57 3kyp h LEU 101 Ca 0.47 -0.72 0.07 0.00 -0.00 0.00 0.00 57.88 57.70 3kyp h LEU 101 Cb 0.93 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.42 3kyp h LEU 101 CO -0.22 1.61 0.64 0.78 -0.00 0.00 0.00 178.44 181.24 3kyp h ASN 102 N 0.09 0.00 -0.22 -0.43 2.35 0.33 -3.33 115.58 114.37 3kyp h ASN 102 Ca -0.29 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 54.99 3kyp h ASN 102 Cb 2.06 0.00 0.01 0.00 0.05 0.00 0.00 38.32 40.44 3kyp h ASN 102 CO 0.17 0.00 1.55 1.41 -1.65 0.00 0.00 177.43 178.91 3kyp n HIS 103 N -3.06 2.08 -3.84 1.19 8.25 -1.20 -4.10 115.22 114.54 3kyp n HIS 103 Ca 0.04 -1.47 -0.28 0.00 -0.26 0.00 0.00 57.72 55.76 3kyp n HIS 103 Cb 0.74 -2.11 -0.03 0.00 1.12 0.00 0.00 29.99 29.72 3kyp n HIS 103 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 3kyp s LEU 104 N 6.47 4.30 -0.01 2.41 2.34 -1.25 -4.58 118.68 128.35 3kyp s LEU 104 Ca 0.65 0.28 -0.08 0.00 0.06 0.00 0.00 54.13 55.04 3kyp s LEU 104 Cb 0.07 -3.03 -0.30 0.00 -0.56 0.00 0.00 46.19 42.37 3kyp s LEU 104 CO 0.15 0.04 0.81 0.58 -1.06 0.00 0.00 176.35 176.86 3kyp h VAL 105 N 1.69 1.09 -2.97 1.48 2.07 -1.42 -3.45 116.25 114.75 3kyp h VAL 105 Ca -0.48 -2.67 -0.24 0.00 0.82 0.00 0.00 66.70 64.14 3kyp h VAL 105 Cb 1.19 2.81 -0.33 0.00 -1.52 0.00 0.00 31.29 33.44 3kyp h VAL 105 CO 0.70 0.84 -0.56 -0.75 0.02 0.00 0.00 177.57 177.81 3kyp s LYS 106 N -2.60 0.12 -0.39 1.57 2.20 0.48 -4.32 119.74 116.79 3kyp s LYS 106 Ca -0.12 0.65 0.01 0.00 -0.36 0.00 0.00 55.97 56.14 3kyp s LYS 106 Cb 0.06 -0.12 0.11 0.00 -1.51 0.00 0.00 37.83 36.37 3kyp s LYS 106 CO 0.87 -0.27 0.15 -1.17 -0.36 0.00 0.00 175.35 174.57 3kyp s LEU 107 N 2.15 4.99 -0.20 5.43 0.20 -1.26 0.45 118.68 130.45 3kyp s LEU 107 Ca -0.00 -2.17 -0.05 0.00 0.69 0.00 0.00 54.13 52.60 3kyp s LEU 107 Cb -0.12 -1.73 -0.02 0.00 -0.43 0.00 0.00 46.19 43.89 3kyp s LEU 107 CO -0.08 -0.45 -0.01 -1.81 -0.29 0.00 0.00 176.35 173.72 3kyp s ASP 108 N 1.26 4.81 -0.19 3.68 1.01 -0.37 -4.98 116.67 121.88 3kyp s ASP 108 Ca 0.10 -0.20 -0.06 0.00 0.71 0.00 0.00 52.55 53.11 3kyp s ASP 108 Cb -0.21 -1.82 -0.03 0.00 1.01 0.00 0.00 42.92 41.87 3kyp s ASP 108 CO -0.06 0.07 0.02 -0.22 0.21 0.00 0.00 175.17 175.19 3kyp s LEU 109 N 0.94 3.41 -0.80 1.23 2.96 -1.26 -0.68 118.68 124.49 3kyp s LEU 109 Ca 0.01 -0.12 -0.03 0.00 -0.22 0.00 0.00 54.13 53.77 3kyp s LEU 109 Cb -0.14 -1.86 0.20 0.00 0.50 0.00 0.00 46.19 44.88 3kyp s LEU 109 CO 0.02 0.10 0.66 -0.54 -1.32 0.00 0.00 176.35 175.27 3kyp s LYS 110 N 0.81 3.05 0.67 1.98 1.02 0.11 -4.97 119.74 122.42 3kyp s LYS 110 Ca 0.01 -2.98 -0.12 0.00 0.02 0.00 0.00 55.97 52.91 3kyp s LYS 110 Cb -0.14 -3.91 -0.00 0.00 -0.52 0.00 0.00 37.83 33.26 3kyp s LYS 110 CO 0.02 -1.23 1.06 0.34 -0.92 0.00 0.00 175.35 174.61 3kyp s ASP 111 N 0.27 5.51 -0.60 2.83 -1.08 -1.26 -2.31 116.67 120.04 3kyp s ASP 111 Ca 0.23 1.65 -0.03 0.00 -0.52 0.00 0.00 52.55 53.88 3kyp s ASP 111 Cb -0.12 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 3kyp s ASP 111 CO -0.09 -1.35 0.46 0.59 0.52 0.00 0.00 175.17 175.30 3kyp n ASN 112 N -2.86 -3.67 0.15 -0.34 4.13 -1.17 -4.89 115.26 106.61 3kyp n ASN 112 Ca 0.08 -0.68 -0.07 0.00 1.68 0.00 0.00 54.58 55.59 3kyp n ASN 112 Cb 0.53 -1.20 -0.03 0.00 -1.54 0.00 0.00 39.78 37.54 3kyp n ASN 112 CO 0.00 0.00 0.00 0.24 0.28 0.00 0.00 177.26 177.78 3kyp h MET 113 N 0.18 -0.43 -6.01 3.52 2.86 -1.67 -3.46 114.93 109.93 3kyp h MET 113 Ca -0.49 0.03 -0.54 0.00 -2.06 0.00 0.00 59.70 56.64 3kyp h MET 113 Cb 1.07 0.10 -0.07 0.00 0.06 0.00 0.00 31.60 32.75 3kyp h MET 113 CO 0.27 -0.28 -0.48 -0.51 1.06 0.00 0.00 176.91 176.97 3kyp s ASP 114 N -4.38 4.63 0.87 1.22 1.01 -1.26 -5.08 116.67 113.68 3kyp s ASP 114 Ca -0.06 -0.93 -0.19 0.00 0.71 0.00 0.00 52.55 52.08 3kyp s ASP 114 Cb 0.01 -0.56 -0.15 0.00 1.01 0.00 0.00 42.92 43.23 3kyp s ASP 114 CO 0.19 -0.51 -0.97 -0.46 0.21 0.00 0.00 175.17 173.63 3kyp n ASN 115 N -1.29 -4.22 0.00 0.27 6.94 -1.26 -4.57 115.26 111.14 3kyp n ASN 115 Ca -0.00 0.09 0.00 0.00 -0.02 0.00 0.00 54.58 54.65 3kyp n ASN 115 Cb 0.63 -0.57 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 3kyp n ASN 115 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3kyp n ASN 116 N 3.05 0.00 0.00 0.53 3.02 -1.26 -4.47 115.26 116.14 3kyp n ASN 116 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 3kyp n ASN 116 Cb 0.56 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 3kyp n ASN 116 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kyp n GLY 117 N 0.00 -0.18 3.83 7.41 0.00 -1.26 -4.64 105.19 110.35 3kyp n GLY 117 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3kyp n GLY 117 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kyp n SER 118 N 0.00 -4.77 -4.42 1.61 7.64 -1.21 -3.06 113.62 109.41 3kyp n SER 118 Ca 0.00 -0.72 -0.29 0.00 1.01 0.00 0.00 58.87 58.87 3kyp n SER 118 Cb 0.00 -3.82 0.17 0.00 -1.01 0.00 0.00 64.21 59.55 3kyp n SER 118 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 3kyp s TYR 119 N -3.25 1.90 -0.22 1.43 1.13 -1.19 -3.09 117.35 114.05 3kyp s TYR 119 Ca 0.63 0.62 -0.13 0.00 -1.41 0.00 0.00 57.07 56.78 3kyp s TYR 119 Cb -0.32 -3.62 0.07 0.00 -1.10 0.00 0.00 41.96 37.00 3kyp s TYR 119 CO 0.78 -2.69 0.54 0.21 -2.51 0.00 0.00 175.55 171.88 3kyp s LYS 120 N -5.50 0.55 -0.17 -3.49 2.20 -0.98 -1.86 119.74 110.48 3kyp s LYS 120 Ca 0.68 0.97 0.01 0.00 -0.36 0.00 0.00 55.97 57.27 3kyp s LYS 120 Cb -0.10 0.07 0.03 0.00 -1.51 0.00 0.00 37.83 36.32 3kyp s LYS 120 CO 0.53 -0.15 -0.13 0.42 -0.36 0.00 0.00 175.35 175.67 3kyp s ILE 121 N 1.41 1.65 -0.13 5.43 1.01 -0.97 0.08 121.20 129.68 3kyp s ILE 121 Ca -0.09 -0.83 -0.06 0.00 0.00 0.00 0.00 60.65 59.67 3kyp s ILE 121 Cb -0.07 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 3kyp s ILE 121 CO -0.15 0.34 0.10 -0.89 0.00 0.00 0.00 174.94 174.35 3kyp s THR 122 N 1.43 5.19 -0.27 2.92 2.01 0.15 -1.79 115.64 125.27 3kyp s THR 122 Ca 0.02 0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.13 3kyp s THR 122 Cb -0.14 -3.27 0.07 0.00 0.01 0.00 0.00 72.50 69.17 3kyp s THR 122 CO -0.10 0.58 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.04 3kyp s PHE 123 N -0.72 2.73 -0.31 4.92 0.08 0.19 -1.24 117.98 123.63 3kyp s PHE 123 Ca 0.13 -2.12 -0.14 0.00 0.12 0.00 0.00 56.93 54.92 3kyp s PHE 123 Cb -0.12 -1.95 -0.03 0.00 -0.57 0.00 0.00 43.02 40.35 3kyp s PHE 123 CO 0.03 -0.84 0.32 0.42 -0.10 0.00 0.00 175.22 175.04 3kyp s ILE 124 N 1.27 5.21 0.20 0.64 1.09 0.17 0.16 121.20 129.94 3kyp s ILE 124 Ca -0.00 0.17 0.05 0.00 -1.10 0.00 0.00 60.65 59.77 3kyp s ILE 124 Cb -0.19 -3.72 -0.03 0.00 -1.06 0.00 0.00 42.46 37.46 3kyp s ILE 124 CO -0.09 0.05 0.26 -0.36 -0.10 0.00 0.00 174.94 174.69 3kyp s PHE 125 N 1.95 3.33 -0.10 3.97 0.08 -0.13 -0.39 117.98 126.70 3kyp s PHE 125 Ca 0.11 0.00 0.06 0.00 0.12 0.00 0.00 56.93 57.22 3kyp s PHE 125 Cb -0.16 -1.55 -0.24 0.00 -0.57 0.00 0.00 43.02 40.49 3kyp s PHE 125 CO 0.11 0.50 0.46 0.41 -0.10 0.00 0.00 175.22 176.59 3kyp n GLY 126 N -0.89 -0.81 3.05 4.36 0.00 -1.26 -4.77 105.19 104.88 3kyp n GLY 126 Ca -0.08 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 3kyp n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kyp s GLU 127 N -2.57 0.27 -0.88 1.61 0.41 -1.26 -5.09 118.70 111.19 3kyp s GLU 127 Ca -0.13 0.04 -0.02 0.00 -0.41 0.00 0.00 54.97 54.45 3kyp s GLU 127 Cb 0.07 0.12 0.34 0.00 -1.78 0.00 0.00 34.13 32.89 3kyp s GLU 127 CO 0.79 -0.05 1.97 0.36 -0.49 0.00 0.00 175.26 177.85 3kyp n LYS 128 N 2.55 3.34 -0.50 1.61 0.00 -1.26 -4.58 118.16 119.32 3kyp n LYS 128 Ca -0.15 -3.78 0.00 0.00 -0.00 0.00 0.00 58.31 54.37 3kyp n LYS 128 Cb 0.58 -2.31 0.18 0.00 -0.00 0.00 0.00 35.03 33.48 3kyp n LYS 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kyp n ALA 129 N -0.44 3.42 0.00 0.58 0.00 -1.26 -4.11 120.51 118.70 3kyp n ALA 129 Ca 0.52 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3kyp n ALA 129 Cb 0.24 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3kyp n ALA 129 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kyp n LYS 130 N 0.17 0.00 -3.66 0.00 4.01 -1.26 -4.94 118.16 112.48 3kyp n LYS 130 Ca 0.18 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 57.91 3kyp n LYS 130 Cb 0.82 -0.22 -0.09 0.00 -0.51 0.00 0.00 35.03 35.04 3kyp n LYS 130 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 3kyp s GLU 131 N -1.00 0.41 0.19 1.97 -1.05 -1.26 -0.63 118.70 117.34 3kyp s GLU 131 Ca 0.00 1.08 -0.30 0.00 -0.15 0.00 0.00 54.97 55.60 3kyp s GLU 131 Cb 0.00 0.35 -0.08 0.00 -0.44 0.00 0.00 34.13 33.96 3kyp s GLU 131 CO 0.00 -0.22 0.95 -0.06 0.95 0.00 0.00 175.26 176.88 3kyp s PHE 132 N 2.37 3.93 0.00 4.83 2.99 -1.00 -4.54 117.98 126.56 3kyp s PHE 132 Ca -0.05 1.88 0.00 0.00 0.00 0.00 0.00 56.93 58.76 3kyp s PHE 132 Cb -0.11 -3.01 0.00 0.00 0.00 0.00 0.00 43.02 39.91 3kyp s PHE 132 CO -0.14 0.37 0.00 -1.33 -0.00 0.00 0.00 175.22 174.12 3kyp n MET 133 N 1.96 0.00 0.02 0.44 2.00 -1.26 -3.95 117.12 116.32 3kyp n MET 133 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 57.70 57.56 3kyp n MET 133 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.68 3kyp n MET 133 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 3kyp h GLU 134 N 0.00 0.58 -5.24 0.03 3.07 -1.89 -3.43 114.58 107.70 3kyp h GLU 134 Ca 0.00 -0.47 -0.61 0.00 -0.50 0.00 0.00 59.36 57.78 3kyp h GLU 134 Cb 0.00 0.10 -0.13 0.00 -0.84 0.00 0.00 28.75 27.88 3kyp h GLU 134 CO 0.00 1.09 -0.43 -2.14 -1.40 0.00 0.00 179.01 176.14 3kyp s PRO 135 N -3.68 4.14 -0.20 2.33 0.02 -1.24 -0.95 135.00 135.42 3kyp s PRO 135 Ca -0.08 -0.13 -0.05 0.00 0.02 0.00 0.00 61.00 60.76 3kyp s PRO 135 Cb 0.10 -3.49 -0.03 0.00 0.02 0.00 0.00 34.50 31.10 3kyp s PRO 135 CO 0.87 0.13 0.01 -0.51 -0.33 0.00 0.00 177.00 177.17 3kyp s LEU 136 N 0.84 3.35 0.02 -5.54 1.43 0.12 -4.89 118.68 114.02 3kyp s LEU 136 Ca 0.11 -0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 3kyp s LEU 136 Cb -0.13 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 3kyp s LEU 136 CO 0.03 0.07 -0.12 0.28 0.23 0.00 0.00 176.35 176.84 3kyp s THR 137 N 0.96 0.96 -0.28 5.49 -1.32 -1.26 0.54 115.64 120.72 3kyp s THR 137 Ca 0.02 -0.81 -0.00 0.00 -1.21 0.00 0.00 61.69 59.68 3kyp s THR 137 Cb -0.14 -0.86 0.09 0.00 -1.51 0.00 0.00 72.50 70.07 3kyp s THR 137 CO 0.02 0.05 0.06 -0.22 -2.21 0.00 0.00 174.62 172.32 3kyp s LEU 138 N -0.86 2.47 -0.57 9.08 2.96 -0.74 -2.38 118.68 128.64 3kyp s LEU 138 Ca 0.01 -1.51 -0.22 0.00 -0.22 0.00 0.00 54.13 52.19 3kyp s LEU 138 Cb -0.07 -0.98 0.06 0.00 0.50 0.00 0.00 46.19 45.70 3kyp s LEU 138 CO 0.01 -0.36 0.85 -0.69 -1.32 0.00 0.00 176.35 174.83 3kyp s VAL 139 N 1.52 4.52 -1.09 1.68 1.01 -0.89 -2.30 120.40 124.86 3kyp s VAL 139 Ca 0.06 -0.16 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 3kyp s VAL 139 Cb -0.18 -4.51 0.20 0.00 0.00 0.00 0.00 36.38 31.89 3kyp s VAL 139 CO -0.17 -1.13 1.21 -0.75 0.00 0.00 0.00 175.10 174.26 3kyp s LYS 140 N 3.56 3.98 0.18 2.72 2.36 -0.78 -1.62 119.74 130.14 3kyp s LYS 140 Ca 0.23 -2.60 -0.13 0.00 -2.55 0.00 0.00 55.97 50.92 3kyp s LYS 140 Cb -0.16 -4.82 0.15 0.00 -1.05 0.00 0.00 37.83 31.95 3kyp s LYS 140 CO 0.14 -1.56 1.76 0.45 1.55 0.00 0.00 175.35 177.69 3kyp h HIS 141 N 7.39 0.34 -0.10 4.03 3.86 -1.89 -3.15 115.15 125.63 3kyp h HIS 141 Ca 0.22 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 3kyp h HIS 141 Cb 0.92 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.31 3kyp h HIS 141 CO 1.01 0.13 0.00 1.55 0.86 0.00 0.00 177.93 181.48 3kyp n VAL 142 N -4.98 0.00 -4.01 2.45 3.14 -1.26 -3.73 118.33 109.94 3kyp n VAL 142 Ca 0.05 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.09 3kyp n VAL 142 Cb 0.18 -0.21 -0.15 0.00 -1.06 0.00 0.00 33.84 32.60 3kyp n VAL 142 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 3kyp s LYS 150 N 0.00 3.03 0.00 1.45 2.20 -1.26 -3.55 119.74 121.61 3kyp s LYS 150 Ca 0.00 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 3kyp s LYS 150 Cb 0.00 -2.82 0.00 0.00 -1.51 0.00 0.00 37.83 33.50 3kyp s LYS 150 CO 0.00 -0.27 0.00 0.28 -0.36 0.00 0.00 175.35 175.00 3kyp n VAL 151 N 4.68 0.00 -0.20 4.02 0.31 -1.26 -5.16 118.33 120.71 3kyp n VAL 151 Ca -0.19 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3kyp n VAL 151 Cb 0.49 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 3kyp n VAL 151 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3kyp n VAL 152 N -1.55 -0.85 -3.50 2.52 0.31 -1.26 -4.93 118.33 109.08 3kyp n VAL 152 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 3kyp n VAL 152 Cb 0.00 -0.85 -0.13 0.00 -0.91 0.00 0.00 33.84 31.96 3kyp n VAL 152 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3kyp s GLU 153 N -3.18 0.52 0.15 5.55 2.02 -0.64 -4.88 118.70 118.24 3kyp s GLU 153 Ca 0.00 -1.20 -0.05 0.00 0.02 0.00 0.00 54.97 53.74 3kyp s GLU 153 Cb 0.00 -1.34 -0.06 0.00 0.10 0.00 0.00 34.13 32.83 3kyp s GLU 153 CO 0.00 -1.16 0.40 0.00 0.02 0.00 0.00 175.26 174.51 3kyp s THR 155 N -1.67 4.52 -0.10 0.00 -1.32 -1.00 -4.96 115.64 111.10 3kyp s THR 155 Ca 0.42 1.82 -0.29 0.00 -1.21 0.00 0.00 61.69 62.42 3kyp s THR 155 Cb -0.12 -4.17 -0.07 0.00 -1.51 0.00 0.00 72.50 66.63 3kyp s THR 155 CO 0.24 -0.07 2.07 -0.13 -2.21 0.00 0.00 174.62 174.51 3kyp s ARG 156 N 2.68 3.65 -0.15 7.08 1.81 -1.26 -4.89 118.95 127.86 3kyp s ARG 156 Ca 0.50 2.29 -0.07 0.00 -1.72 0.00 0.00 55.73 56.74 3kyp s ARG 156 Cb -0.20 -4.26 -0.04 0.00 -0.45 0.00 0.00 34.95 30.01 3kyp s ARG 156 CO 0.15 -1.52 0.08 -1.50 -0.68 0.00 0.00 175.30 171.84 3kyp s ILE 157 N 6.32 5.00 -0.18 1.52 2.07 -1.26 -5.02 121.20 129.65 3kyp s ILE 157 Ca 0.93 0.03 -0.03 0.00 -1.41 0.00 0.00 60.65 60.17 3kyp s ILE 157 Cb -0.37 -3.21 -0.02 0.00 0.13 0.00 0.00 42.46 38.99 3kyp s ILE 157 CO 0.38 0.53 -0.06 -0.75 -1.91 0.00 0.00 174.94 173.13 3kyp s LYS 158 N -0.30 3.48 0.02 3.50 2.20 -1.25 -5.07 119.74 122.32 3kyp s LYS 158 Ca 0.09 -0.60 -0.07 0.00 -0.36 0.00 0.00 55.97 55.03 3kyp s LYS 158 Cb -0.12 -2.89 -0.05 0.00 -1.51 0.00 0.00 37.83 33.27 3kyp s LYS 158 CO 0.01 0.05 0.29 -1.58 -0.36 0.00 0.00 175.35 173.77 3kyp s TRP 159 N 0.82 3.58 0.71 4.03 0.52 -1.26 -2.37 118.94 124.97 3kyp s TRP 159 Ca -0.02 0.60 -0.11 0.00 0.02 0.00 0.00 56.10 56.59 3kyp s TRP 159 Cb -0.15 -2.01 0.02 0.00 -1.15 0.00 0.00 33.47 30.18 3kyp s TRP 159 CO 0.01 0.60 1.07 0.15 0.02 0.00 0.00 176.95 178.80 3kyp s LYS 160 N -1.80 2.80 -0.86 4.98 -0.14 0.20 -4.85 119.74 120.07 3kyp s LYS 160 Ca 0.29 0.88 -0.28 0.00 -1.36 0.00 0.00 55.97 55.50 3kyp s LYS 160 Cb -0.13 -1.98 -0.19 0.00 -1.68 0.00 0.00 37.83 33.85 3kyp s LYS 160 CO 0.17 -1.18 2.57 -1.91 -0.76 0.00 0.00 175.35 174.24 3kyp n GLU 161 N -3.17 0.29 -2.46 1.68 4.07 -1.26 -1.38 120.64 118.41 3kyp n GLU 161 Ca 0.07 -0.03 -0.10 0.00 -0.06 0.00 0.00 57.16 57.04 3kyp n GLU 161 Cb 0.54 -2.04 0.01 0.00 -0.06 0.00 0.00 31.44 29.89 3kyp n GLU 161 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3kyp n GLY 162 N 6.30 0.09 0.00 8.31 0.00 -1.26 -4.91 105.19 113.73 3kyp n GLY 162 Ca 0.58 -0.42 0.04 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.10 1.40 -1.67 1.61 4.76 -0.48 -4.99 118.16 116.69 3kyp n LYS 163 Ca -0.07 -0.05 -0.44 0.00 -2.87 0.00 0.00 58.31 54.88 3kyp n LYS 163 Cb 0.56 -1.10 -0.03 0.00 -1.84 0.00 0.00 35.03 32.61 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 -1.62 3.98 -4.76 4.39 4.05 -1.26 -4.93 115.26 115.11 3kyp n ASN 164 Ca -0.01 0.92 -0.41 0.00 0.45 0.00 0.00 54.58 55.53 3kyp n ASN 164 Cb 0.19 -1.48 -0.02 0.00 1.23 0.00 0.00 39.78 39.69 3kyp n ASN 164 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3kyp s PRO 165 N 4.37 4.33 0.00 1.20 0.04 -1.26 -4.95 135.00 138.73 3kyp s PRO 165 Ca 0.90 2.24 0.00 0.00 0.04 0.00 0.00 61.00 64.18 3kyp s PRO 165 Cb -0.51 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 30.95 3kyp s PRO 165 CO 0.45 -0.27 0.00 0.44 0.04 0.00 0.00 177.00 177.66 3kyp n ILE 166 N 1.35 0.00 0.20 0.56 -6.64 -1.26 -4.93 119.36 108.63 3kyp n ILE 166 Ca 0.02 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.00 3kyp n ILE 166 Cb 0.41 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.61 3kyp n ILE 166 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3kyp n ALA 167 N -1.16 0.00 1.06 -1.28 0.00 -1.26 -5.14 120.51 112.74 3kyp n ALA 167 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3kyp n ALA 167 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 3kyp n ALA 167 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kyp n LYS 182 N -3.35 1.24 -3.96 0.00 5.02 -1.26 -5.27 118.16 110.57 3kyp n LYS 182 Ca 0.00 -0.97 -0.10 0.00 -2.02 0.00 0.00 58.31 55.22 3kyp n LYS 182 Cb 0.00 -1.48 -0.12 0.00 -0.02 0.00 0.00 35.03 33.41 3kyp n LYS 182 CO 0.00 0.00 0.00 1.67 -0.52 0.00 0.00 177.40 178.55 3kyp s TRP 183 N -2.43 0.22 0.17 2.13 1.48 -1.26 -5.00 118.94 114.24 3kyp s TRP 183 Ca 0.21 -0.41 0.09 0.00 -1.06 0.00 0.00 56.10 54.93 3kyp s TRP 183 Cb 0.19 -0.16 -0.04 0.00 -1.16 0.00 0.00 33.47 32.30 3kyp s TRP 183 CO 0.53 -0.14 -0.09 -1.54 -4.06 0.00 0.00 176.95 171.65 3kyp s SER 184 N -1.13 4.28 0.37 -2.66 1.04 -1.26 -3.53 113.70 110.82 3kyp s SER 184 Ca -0.12 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.76 3kyp s SER 184 Cb -0.08 -0.74 0.00 0.00 0.10 0.00 0.00 66.02 65.30 3kyp s SER 184 CO -0.01 0.11 0.00 -0.38 0.98 0.00 0.00 173.24 173.95 3kyp n ILE 185 N 0.13 0.00 0.00 -1.02 5.41 -1.26 -3.37 119.36 119.26 3kyp n ILE 185 Ca -0.11 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.64 3kyp n ILE 185 Cb 0.55 -0.18 0.00 0.00 -0.71 0.00 0.00 39.64 39.30 3kyp n ILE 185 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3kyp n PHE 186 N -1.66 0.00 0.40 1.39 3.72 -1.26 -4.48 117.46 115.57 3kyp n PHE 186 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 3kyp n PHE 186 Cb 0.00 -0.40 0.18 0.00 -0.94 0.00 0.00 39.48 38.32 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 0.83 0.00 0.00 -1.08 5.08 -1.96 -2.96 114.58 114.49 3kyp h GLU 187 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3kyp h GLU 187 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kyp h GLU 187 CO 0.00 0.00 -0.10 2.35 -1.00 0.00 0.00 179.01 180.26 3kyp h TRP 188 N 0.00 0.00 -0.46 4.33 7.01 -1.82 -3.33 115.95 121.67 3kyp h TRP 188 Ca 0.00 0.00 -0.46 0.00 2.11 0.00 0.00 58.89 60.54 3kyp h TRP 188 Cb 0.86 0.00 -0.08 0.00 -2.10 0.00 0.00 29.16 27.83 3kyp h TRP 188 CO 0.00 0.10 1.18 1.19 -2.79 0.00 0.00 178.44 178.12 3kyp n PHE 189 N -3.26 1.35 -3.89 2.65 3.72 -1.12 -4.82 117.46 112.09 3kyp n PHE 189 Ca 0.00 -2.17 -0.11 0.00 -0.05 0.00 0.00 57.45 55.12 3kyp n PHE 189 Cb 0.35 -1.77 -0.11 0.00 -0.94 0.00 0.00 39.48 37.00 3kyp n PHE 189 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3kyp s THR 190 N 0.06 0.06 -1.42 4.37 2.01 -1.25 -4.84 115.64 114.63 3kyp s THR 190 Ca 0.63 -0.53 -0.09 0.00 0.31 0.00 0.00 61.69 62.01 3kyp s THR 190 Cb 0.28 -0.28 -0.10 0.00 0.01 0.00 0.00 72.50 72.41 3kyp s THR 190 CO -0.09 -0.29 2.95 0.35 -0.69 0.00 0.00 174.62 176.85 3kyp n THR 191 N 2.02 4.04 0.00 -0.82 -2.24 -1.26 -4.72 114.28 111.30 3kyp n THR 191 Ca -0.20 -2.38 0.00 0.00 -2.27 0.00 0.00 64.05 59.20 3kyp n THR 191 Cb 0.57 -2.52 0.00 0.00 -2.10 0.00 0.00 70.33 66.28 3kyp n THR 191 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kyp n ASP 192 N 3.53 0.00 0.00 3.42 10.43 -1.26 -5.01 116.55 127.65 3kyp n ASP 192 Ca 0.73 0.00 0.00 0.00 2.57 0.00 0.00 54.79 58.09 3kyp n ASP 192 Cb 0.28 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.24 3kyp n ASP 192 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 3kyp n GLU 193 N 0.00 0.00 -0.25 -1.24 2.13 -1.26 -5.09 120.64 114.93 3kyp n GLU 193 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 3kyp n GLU 193 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.72 3kyp n GLU 193 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3kyp n LEU 194 N 0.00 -1.32 0.00 4.31 4.32 -1.26 -5.00 117.00 118.05 3kyp n LEU 194 Ca 0.00 0.07 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 3kyp n LEU 194 Cb 0.00 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 41.62 3kyp n LEU 194 CO 0.00 -1.37 0.00 0.00 -1.22 0.00 0.00 177.39 174.80 3kyp n GLN 195 N 0.54 0.00 -3.10 3.23 3.00 -1.26 -4.72 117.38 115.07 3kyp n GLN 195 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 3kyp n GLN 195 Cb 0.13 -0.17 -0.06 0.00 0.00 0.00 0.00 30.24 30.14 3kyp n GLN 195 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3kyp s ASP 196 N -1.54 7.12 -1.24 1.08 1.11 -1.26 -4.32 116.67 117.63 3kyp s ASP 196 Ca 0.00 1.44 -0.16 0.00 0.18 0.00 0.00 52.55 54.01 3kyp s ASP 196 Cb 0.00 -2.43 0.16 0.00 1.07 0.00 0.00 42.92 41.72 3kyp s ASP 196 CO 0.00 0.10 0.39 0.29 1.18 0.00 0.00 175.17 177.14 3kyp n LYS 197 N 1.03 -1.08 0.00 8.23 4.01 -1.26 -4.90 118.16 124.20 3kyp n LYS 197 Ca -0.04 0.09 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 3kyp n LYS 197 Cb 0.50 -3.70 0.00 0.00 -0.51 0.00 0.00 35.03 31.32 3kyp n LYS 197 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 3kyp n PRO 198 N -3.09 2.24 -3.62 1.97 -0.04 -1.26 -4.77 135.00 126.43 3kyp n PRO 198 Ca 0.08 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.29 3kyp n PRO 198 Cb 0.36 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.84 3kyp n PRO 198 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3kyp n ASP 199 N 0.00 -5.60 0.33 3.54 2.03 -1.26 -4.78 116.55 110.80 3kyp n ASP 199 Ca 0.00 -0.84 0.16 0.00 0.52 0.00 0.00 54.79 54.63 3kyp n ASP 199 Cb 0.00 -3.15 0.85 0.00 -0.72 0.00 0.00 41.12 38.10 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 -1.04 0.00 -0.59 5.18 2.07 -1.94 0.18 116.25 120.12 3kyp h VAL 200 Ca -0.53 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 66.89 3kyp h VAL 200 Cb 1.30 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3kyp h VAL 200 CO 0.42 0.00 -0.02 1.23 0.02 0.00 0.00 177.57 179.22 3kyp h GLY 201 N 0.00 1.13 0.82 2.17 0.00 -1.97 -2.62 103.07 102.59 3kyp h GLY 201 Ca 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 47.33 46.45 3kyp h GLY 201 CO 0.00 0.77 -0.42 1.05 0.00 0.00 0.00 176.54 177.94 3kyp h GLU 202 N 0.94 -1.10 -0.68 4.80 4.11 -0.97 -2.98 114.58 118.70 3kyp h GLU 202 Ca 0.16 0.07 0.07 0.00 0.07 0.00 0.00 59.36 59.74 3kyp h GLU 202 Cb 0.57 0.25 -0.10 0.00 0.50 0.00 0.00 28.75 29.97 3kyp h GLU 202 CO 0.03 -0.73 -0.57 -0.07 0.07 0.00 0.00 179.01 177.75 3kyp h LEU 203 N -1.14 -1.98 0.02 3.06 3.38 -1.60 0.84 115.31 117.88 3kyp h LEU 203 Ca -0.11 0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3kyp h LEU 203 Cb 0.88 0.85 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 3kyp h LEU 203 CO 0.16 -0.32 -0.07 0.40 0.09 0.00 0.00 178.44 178.70 3kyp h ILE 204 N -0.21 0.00 -0.39 1.22 2.04 -1.50 1.46 117.51 120.12 3kyp h ILE 204 Ca 0.12 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.08 3kyp h ILE 204 Cb 0.51 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 3kyp h ILE 204 CO -0.76 0.00 0.28 0.08 0.00 0.00 0.00 178.15 177.75 3kyp h ARG 205 N -0.11 0.07 0.00 2.37 0.11 -1.38 -0.78 114.38 114.66 3kyp h ARG 205 Ca -0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3kyp h ARG 205 Cb 0.11 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.17 3kyp h ARG 205 CO -0.04 0.05 -1.22 0.54 0.10 0.00 0.00 179.97 179.39 3kyp n ARG 206 N -4.44 0.34 0.00 0.08 1.74 0.28 -4.77 116.66 109.89 3kyp n ARG 206 Ca 0.06 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3kyp n ARG 206 Cb 0.42 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 3kyp n ARG 206 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kyp n GLU 207 N -1.99 0.00 0.00 5.56 1.02 0.50 -5.02 120.64 120.71 3kyp n GLU 207 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3kyp n GLU 207 Cb 0.45 -0.46 0.00 0.00 -0.02 0.00 0.00 31.44 31.41 3kyp n GLU 207 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3kyp n ILE 208 N -0.84 0.00 0.00 -3.67 5.41 -0.41 -4.66 119.36 115.20 3kyp n ILE 208 Ca 0.00 0.40 0.00 0.00 1.00 0.00 0.00 62.75 64.15 3kyp n ILE 208 Cb 0.00 -1.35 0.00 0.00 -0.71 0.00 0.00 39.64 37.58 3kyp n ILE 208 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 176.55 178.42 3kyp n TRP 209 N -2.16 0.00 -0.17 1.39 -0.00 -0.58 -1.28 117.44 114.64 3kyp n TRP 209 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.45 3kyp n TRP 209 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.27 3kyp n TRP 209 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 177.69 179.27 3kyp n HIS 210 N -1.22 -0.18 -3.68 5.87 -0.00 -1.26 -2.59 115.22 112.15 3kyp n HIS 210 Ca 0.00 0.51 -0.28 0.00 0.46 0.00 0.00 57.72 58.42 3kyp n HIS 210 Cb 0.00 -0.48 -0.11 0.00 -0.12 0.00 0.00 29.99 29.28 3kyp n HIS 210 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 3kyp n ASN 211 N -4.19 1.74 0.30 0.26 2.85 -0.40 -4.94 115.26 110.88 3kyp n ASN 211 Ca 0.01 -2.91 0.19 0.00 -0.11 0.00 0.00 54.58 51.75 3kyp n ASN 211 Cb 0.11 -0.68 1.00 0.00 1.24 0.00 0.00 39.78 41.45 3kyp n ASN 211 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3kyp h PRO 212 N 5.39 0.00 -0.26 1.20 0.14 -1.23 -2.67 132.00 134.58 3kyp h PRO 212 Ca 0.19 0.00 -0.14 0.00 0.14 0.00 0.00 66.00 66.19 3kyp h PRO 212 Cb 0.81 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 31.94 3kyp h PRO 212 CO 0.59 0.00 -0.41 1.25 0.14 0.00 0.00 178.00 179.57 3kyp h LEU 213 N 0.00 0.66 0.00 1.56 6.46 -1.90 -3.07 115.31 119.02 3kyp h LEU 213 Ca 0.02 -0.30 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 3kyp h LEU 213 Cb 0.24 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 39.98 3kyp h LEU 213 CO -0.00 0.99 0.00 -1.54 -0.62 0.00 0.00 178.44 177.27 3kyp n SER 214 N -4.03 0.00 -0.04 1.25 3.41 -1.01 -1.87 113.62 111.34 3kyp n SER 214 Ca -0.02 -0.43 -0.06 0.00 -0.26 0.00 0.00 58.87 58.10 3kyp n SER 214 Cb 0.53 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 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 -0.64 0.00 -0.30 7.33 4.01 -1.16 -4.56 117.16 121.84 3kyp n TYR 215 Ca 0.02 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.83 3kyp n TYR 215 Cb 0.01 -0.27 0.23 0.00 -0.31 0.00 0.00 39.34 38.99 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 -0.10 0.76 -0.02 -0.72 3.20 -1.38 -3.46 116.97 115.26 3kyp h TYR 216 Ca -0.17 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.73 3kyp h TYR 216 Cb 1.22 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.28 3kyp h TYR 216 CO -0.00 0.18 0.00 1.28 -1.64 0.00 0.00 178.16 177.98