#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 0.72 -0.05 -4.13 4.05 -2.05 -0.23 114.93 113.24 3kyp h MET 30 Ca 0.00 -0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.27 3kyp h MET 30 Cb 0.00 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.65 3kyp h MET 30 CO 0.00 0.51 -0.32 0.37 0.23 0.00 0.00 176.91 177.71 3kyp h GLN 31 N 0.74 0.30 -0.36 0.39 5.75 -2.05 -2.77 115.11 117.11 3kyp h GLN 31 Ca 0.19 -0.26 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 3kyp h GLN 31 Cb -0.02 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 3kyp h GLN 31 CO -0.04 0.92 0.20 -0.44 -2.65 0.00 0.00 178.83 176.82 3kyp h ASP 32 N -0.23 0.42 -0.07 -0.69 3.32 -1.91 0.32 116.42 117.59 3kyp h ASP 32 Ca -0.03 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 3kyp h ASP 32 Cb 0.99 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.43 3kyp h ASP 32 CO 0.06 0.34 -0.02 0.15 -1.72 0.00 0.00 179.24 178.05 3kyp h PHE 33 N 0.49 0.16 -0.97 4.55 3.04 -1.06 -0.91 116.94 122.23 3kyp h PHE 33 Ca 0.13 -0.04 0.05 0.00 3.98 0.00 0.00 57.97 62.10 3kyp h PHE 33 Cb 0.00 -0.04 -0.06 0.00 2.56 0.00 0.00 35.95 38.41 3kyp h PHE 33 CO 0.00 0.48 0.63 1.49 -2.02 0.00 0.00 178.31 178.89 3kyp h GLU 34 N -0.21 1.13 0.22 1.11 4.81 -1.11 -0.42 114.58 120.11 3kyp h GLU 34 Ca 0.02 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3kyp h GLU 34 Cb 0.43 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3kyp h GLU 34 CO 0.01 0.75 -0.11 -0.44 -0.73 0.00 0.00 179.01 178.49 3kyp h ASP 35 N 1.17 -0.25 -1.01 1.04 3.32 -0.86 -2.04 116.42 117.79 3kyp h ASP 35 Ca 0.41 -0.26 0.13 0.00 0.02 0.00 0.00 57.03 57.33 3kyp h ASP 35 Cb 0.10 0.07 -0.09 0.00 0.22 0.00 0.00 39.33 39.63 3kyp h ASP 35 CO -0.15 0.18 0.63 -0.29 -1.72 0.00 0.00 179.24 177.89 3kyp h ILE 36 N -0.75 0.88 -0.64 0.35 2.10 -0.97 0.15 117.51 118.63 3kyp h ILE 36 Ca -0.03 -0.33 0.05 0.00 1.08 0.00 0.00 64.86 65.63 3kyp h ILE 36 Cb 0.50 -0.16 -0.05 0.00 -1.09 0.00 0.00 36.82 36.02 3kyp h ILE 36 CO 0.05 0.17 0.36 -0.61 -1.08 0.00 0.00 178.15 177.04 3kyp h GLN 37 N 0.96 0.65 -0.12 2.19 5.75 -0.99 -0.78 115.11 122.77 3kyp h GLN 37 Ca 0.51 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.92 3kyp h GLN 37 Cb 0.56 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.95 3kyp h GLN 37 CO -0.29 0.43 -0.16 0.87 -2.65 0.00 0.00 178.83 177.03 3kyp h LYS 38 N 0.67 0.19 -0.06 1.69 6.56 -0.01 -1.01 116.57 124.61 3kyp h LYS 38 Ca 0.28 -0.05 -0.04 0.00 -1.06 0.00 0.00 60.65 59.79 3kyp h LYS 38 Cb 0.15 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 3kyp h LYS 38 CO -0.17 0.36 -0.11 -0.44 -2.06 0.00 0.00 179.45 177.04 3kyp h ASP 39 N 0.18 0.20 0.26 0.86 3.32 0.04 0.55 116.42 121.83 3kyp h ASP 39 Ca 0.04 -0.56 -0.05 0.00 0.02 0.00 0.00 57.03 56.48 3kyp h ASP 39 Cb 0.41 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3kyp h ASP 39 CO 0.03 0.72 -0.23 0.16 -1.72 0.00 0.00 179.24 178.20 3kyp h ILE 40 N -0.31 1.10 -0.26 0.35 3.07 -1.11 -2.40 117.51 117.95 3kyp h ILE 40 Ca 0.00 -0.81 -0.19 0.00 1.55 0.00 0.00 64.86 65.41 3kyp h ILE 40 Cb 0.69 1.45 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 3kyp h ILE 40 CO 0.03 0.23 -0.58 -0.08 -1.05 0.00 0.00 178.15 176.69 3kyp h GLU 41 N 0.00 0.83 -0.32 0.16 4.57 -1.01 -2.48 114.58 116.33 3kyp h GLU 41 Ca -0.00 -0.55 -0.03 0.00 -1.18 0.00 0.00 59.36 57.60 3kyp h GLU 41 Cb 0.43 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 3kyp h GLU 41 CO 0.03 1.18 0.05 1.96 -1.18 0.00 0.00 179.01 181.05 3kyp h GLN 42 N 0.63 0.48 -0.42 1.92 1.08 -0.41 -2.21 115.11 116.18 3kyp h GLN 42 Ca 0.00 -0.08 -0.11 0.00 -1.45 0.00 0.00 58.65 57.01 3kyp h GLN 42 Cb 1.19 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.52 3kyp h GLN 42 CO 0.13 0.47 -0.18 -0.07 -0.95 0.00 0.00 178.83 178.22 3kyp h LEU 43 N 0.47 0.89 0.31 1.46 3.38 -1.27 -1.01 115.31 119.53 3kyp h LEU 43 Ca 0.11 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3kyp h LEU 43 Cb 0.23 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3kyp h LEU 43 CO 0.00 1.08 -0.50 0.44 0.09 0.00 0.00 178.44 179.56 3kyp h ASP 44 N 0.68 -1.43 -0.19 -0.43 3.32 -0.95 1.23 116.42 118.66 3kyp h ASP 44 Ca 0.10 0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.33 3kyp h ASP 44 Cb 0.74 0.50 -0.06 0.00 0.22 0.00 0.00 39.33 40.73 3kyp h ASP 44 CO 0.06 -0.60 -0.19 0.40 -1.72 0.00 0.00 179.24 177.18 3kyp h ILE 45 N -0.86 0.49 -0.75 0.35 2.04 -1.50 0.67 117.51 117.96 3kyp h ILE 45 Ca -0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.88 3kyp h ILE 45 Cb 0.80 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 3kyp h ILE 45 CO -0.17 0.00 0.45 0.50 0.00 0.00 0.00 178.15 178.93 3kyp h LYS 46 N -0.21 0.82 -0.27 2.37 3.64 -0.56 0.93 116.57 123.29 3kyp h LYS 46 Ca 0.12 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 3kyp h LYS 46 Cb 0.39 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3kyp h LYS 46 CO -0.32 0.54 -0.01 0.00 -2.27 0.00 0.00 179.45 177.40 3kyp h ALA 48 N 0.81 1.28 -0.13 0.00 0.00 0.14 -1.63 119.26 119.73 3kyp h ALA 48 Ca 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3kyp h ALA 48 Cb 0.44 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3kyp h ALA 48 CO 0.02 0.56 0.06 1.25 0.00 0.00 0.00 179.25 181.13 3kyp h HIS 49 N 0.98 0.20 0.00 0.00 6.17 0.95 -0.05 115.15 123.40 3kyp h HIS 49 Ca 0.24 -0.01 -0.05 0.00 0.71 0.00 0.00 60.37 61.26 3kyp h HIS 49 Cb 0.10 -0.06 -0.01 0.00 2.52 0.00 0.00 27.41 29.96 3kyp h HIS 49 CO 0.01 0.26 -0.23 0.93 0.71 0.00 0.00 177.93 179.61 3kyp h GLU 50 N 0.08 0.00 -0.19 5.26 5.08 -1.25 0.30 114.58 123.85 3kyp h GLU 50 Ca 0.05 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 3kyp h GLU 50 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3kyp h GLU 50 CO -0.00 0.23 -0.15 0.37 -1.00 0.00 0.00 179.01 178.46 3kyp h GLN 51 N 0.00 0.44 -0.72 2.33 5.75 -0.91 -2.97 115.11 119.03 3kyp h GLN 51 Ca -0.00 -0.22 -0.04 0.00 -0.15 0.00 0.00 58.65 58.24 3kyp h GLN 51 Cb 0.44 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.96 3kyp h GLN 51 CO 0.03 0.77 0.31 1.98 -2.65 0.00 0.00 178.83 179.27 3kyp h MET 52 N 0.11 1.07 -0.33 1.69 4.05 -0.29 -1.56 114.93 119.67 3kyp h MET 52 Ca 0.04 -0.18 -0.01 0.00 -0.28 0.00 0.00 59.70 59.26 3kyp h MET 52 Cb 0.67 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 31.28 3kyp h MET 52 CO 0.04 0.87 0.17 -0.91 0.23 0.00 0.00 176.91 177.30 3kyp h ASN 53 N 1.03 0.43 1.00 1.39 -0.26 -0.93 -0.99 115.58 117.25 3kyp h ASN 53 Ca 0.24 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 3kyp h ASN 53 Cb 0.18 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.33 3kyp h ASN 53 CO -0.02 0.42 0.00 2.30 -1.06 0.00 0.00 177.43 179.07 3kyp n ILE 54 N -4.76 0.13 0.16 2.81 -5.35 -1.13 -2.44 119.36 108.78 3kyp n ILE 54 Ca -0.01 -0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.38 3kyp n ILE 54 Cb 0.10 -0.55 -0.05 0.00 -1.74 0.00 0.00 39.64 37.40 3kyp n ILE 54 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3kyp h GLN 55 N 0.00 -0.46 -0.81 6.28 5.75 -0.38 -3.16 115.11 122.33 3kyp h GLN 55 Ca 0.00 0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.61 3kyp h GLN 55 Cb 0.50 0.10 -0.05 0.00 1.07 0.00 0.00 27.48 29.10 3kyp h GLN 55 CO 0.00 -0.24 0.53 0.87 -2.65 0.00 0.00 178.83 177.34 3kyp h LYS 56 N -1.09 0.80 -0.19 1.69 1.57 -1.22 -0.35 116.57 117.79 3kyp h LYS 56 Ca -0.05 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.74 3kyp h LYS 56 Cb 0.43 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3kyp h LYS 56 CO 0.08 0.53 0.18 0.37 -0.57 0.00 0.00 179.45 180.04 3kyp h GLN 57 N 0.82 0.00 0.02 3.15 4.15 -1.53 -0.45 115.11 121.27 3kyp h GLN 57 Ca 0.36 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.44 3kyp h GLN 57 Cb 0.34 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.98 3kyp h GLN 57 CO -0.14 0.00 -2.08 0.66 -1.93 0.00 0.00 178.83 175.34 3kyp n TYR 58 N -3.99 0.59 0.27 3.99 4.01 -0.24 -3.76 117.16 118.01 3kyp n TYR 58 Ca 0.02 0.18 0.11 0.00 -0.16 0.00 0.00 57.90 58.05 3kyp n TYR 58 Cb 0.31 -1.10 0.74 0.00 -0.31 0.00 0.00 39.34 38.98 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 0.51 7.72 3.32 -0.09 0.63 116.42 128.53 3kyp h ASP 59 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3kyp h ASP 59 Cb 2.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.63 3kyp h ASP 59 CO 0.04 0.06 -0.23 -1.84 -1.72 0.00 0.00 179.24 175.55 3kyp n GLU 60 N -4.07 0.36 0.01 3.56 0.28 -0.40 -2.37 120.64 118.01 3kyp n GLU 60 Ca -0.03 -0.15 -0.20 0.00 -0.16 0.00 0.00 57.16 56.62 3kyp n GLU 60 Cb 0.14 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.38 3kyp n GLU 60 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 3kyp h LYS 61 N 0.38 0.24 -0.03 3.44 1.57 0.08 -3.37 116.57 118.88 3kyp h LYS 61 Ca 0.00 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3kyp h LYS 61 Cb 0.45 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3kyp h LYS 61 CO 0.00 1.12 -0.04 0.36 -0.57 0.00 0.00 179.45 180.32 3kyp n LYS 62 N -3.43 2.06 -0.17 3.15 2.85 -0.04 -4.42 118.16 118.16 3kyp n LYS 62 Ca -0.29 -1.61 -0.02 0.00 -1.05 0.00 0.00 58.31 55.34 3kyp n LYS 62 Cb 1.05 -1.47 0.07 0.00 -0.65 0.00 0.00 35.03 34.04 3kyp n LYS 62 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 3kyp h LYS 63 N 3.93 0.21 -0.06 -1.58 3.64 -1.64 0.12 116.57 121.20 3kyp h LYS 63 Ca 0.00 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 3kyp h LYS 63 Cb 0.86 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 3kyp h LYS 63 CO 0.00 0.14 -0.21 -1.00 -2.27 0.00 0.00 179.45 176.11 3kyp h PRO 64 N 0.22 0.10 0.00 1.90 0.13 -1.85 -1.03 132.00 131.47 3kyp h PRO 64 Ca 0.26 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.30 3kyp h PRO 64 Cb 0.37 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 3kyp h PRO 64 CO -0.36 0.32 -0.32 -0.07 -0.23 0.00 0.00 178.00 177.34 3kyp h LEU 65 N 0.10 0.00 -0.45 1.56 3.38 -1.12 -2.03 115.31 116.75 3kyp h LEU 65 Ca 0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 3kyp h LEU 65 Cb 0.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3kyp h LEU 65 CO 0.03 0.32 -0.66 -0.26 0.09 0.00 0.00 178.44 177.96 3kyp h PHE 66 N 0.00 0.00 0.00 1.13 0.04 0.26 -2.78 116.94 115.59 3kyp h PHE 66 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3kyp h PHE 66 Cb 0.59 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.74 3kyp h PHE 66 CO 0.00 0.66 0.07 0.93 -0.60 0.00 0.00 178.31 179.37 3kyp h GLU 67 N 0.00 0.00 0.00 1.51 5.08 -0.69 -0.68 114.58 119.80 3kyp h GLU 67 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3kyp h GLU 67 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3kyp h GLU 67 CO 0.09 0.00 0.00 0.36 -1.00 0.00 0.00 179.01 178.46 3kyp n LYS 68 N -2.46 0.14 0.00 2.33 0.00 -1.05 -3.06 118.16 114.07 3kyp n LYS 68 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 3kyp n LYS 68 Cb 0.11 -1.39 0.00 0.00 -0.00 0.00 0.00 35.03 33.75 3kyp n LYS 68 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3kyp n ARG 69 N -0.89 0.20 0.08 -1.58 1.85 -0.26 -0.31 116.66 115.74 3kyp n ARG 69 Ca 0.03 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.77 3kyp n ARG 69 Cb 0.01 -1.05 -0.12 0.00 -1.05 0.00 0.00 32.46 30.25 3kyp n ARG 69 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 3kyp h ASP 70 N 0.43 0.17 0.40 2.89 3.32 -1.83 -2.64 116.42 119.15 3kyp h ASP 70 Ca 0.00 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 3kyp h ASP 70 Cb 0.05 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3kyp h ASP 70 CO 0.00 1.13 -0.51 -0.33 -1.72 0.00 0.00 179.24 177.81 3kyp h GLU 71 N 0.03 -0.90 -0.95 3.56 3.07 -0.99 -2.00 114.58 116.40 3kyp h GLU 71 Ca -0.06 0.06 0.13 0.00 -0.50 0.00 0.00 59.36 59.00 3kyp h GLU 71 Cb 1.83 0.21 -0.08 0.00 -0.84 0.00 0.00 28.75 29.87 3kyp h GLU 71 CO 0.16 -0.60 0.61 0.82 -1.40 0.00 0.00 179.01 178.59 3kyp h ILE 72 N -0.94 0.87 -3.98 3.13 2.04 -1.74 -2.84 117.51 114.06 3kyp h ILE 72 Ca -0.05 -0.29 -0.51 0.00 1.00 0.00 0.00 64.86 65.01 3kyp h ILE 72 Cb 0.84 -0.06 0.21 0.00 -0.74 0.00 0.00 36.82 37.07 3kyp h ILE 72 CO -0.12 0.16 0.09 -0.38 0.00 0.00 0.00 178.15 177.90 3kyp n ILE 73 N -4.60 0.00 0.00 -0.67 5.41 -0.75 -3.80 119.36 114.95 3kyp n ILE 73 Ca 0.18 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.83 3kyp n ILE 73 Cb 0.41 -0.96 0.00 0.00 -0.71 0.00 0.00 39.64 38.38 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 -4.16 0.00 -0.09 0.38 6.02 -1.26 -2.02 117.38 116.26 3kyp n GLN 74 Ca 0.10 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.17 3kyp n GLN 74 Cb 0.53 0.00 0.15 0.00 1.02 0.00 0.00 30.24 31.94 3kyp n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3kyp n LYS 75 N 0.00 -0.02 -3.79 -1.09 4.01 -1.25 -2.16 118.16 113.87 3kyp n LYS 75 Ca 0.00 0.37 -0.30 0.00 -0.51 0.00 0.00 58.31 57.87 3kyp n LYS 75 Cb 0.00 -0.65 -0.14 0.00 -0.51 0.00 0.00 35.03 33.72 3kyp n LYS 75 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3kyp s ILE 76 N -4.44 1.39 0.03 -0.18 1.01 -0.85 -5.02 121.20 113.13 3kyp s ILE 76 Ca -0.02 -2.02 -0.36 0.00 0.00 0.00 0.00 60.65 58.24 3kyp s ILE 76 Cb 0.09 -2.02 -0.15 0.00 0.01 0.00 0.00 42.46 40.39 3kyp s ILE 76 CO 0.21 -0.73 1.51 -2.65 0.00 0.00 0.00 174.94 173.28 3kyp n PRO 77 N 4.26 1.48 -4.12 2.79 -0.02 -0.92 -2.57 135.00 135.91 3kyp n PRO 77 Ca 0.03 0.54 -0.30 0.00 -2.02 0.00 0.00 63.50 61.74 3kyp n PRO 77 Cb 0.39 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 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 3.18 -0.27 0.44 -1.23 0.00 -1.26 -4.89 105.19 101.15 3kyp n GLY 78 Ca 0.20 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.69 -1.10 -0.38 1.61 3.57 -1.76 -2.81 116.94 114.38 3kyp h PHE 79 Ca -0.62 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 60.90 3kyp h PHE 79 Cb 1.38 0.40 -0.03 0.00 2.79 0.00 0.00 35.95 40.49 3kyp h PHE 79 CO 0.55 -0.62 0.18 -1.49 -2.23 0.00 0.00 178.31 174.70 3kyp h TRP 80 N -1.00 0.33 -0.91 0.41 4.06 -1.88 0.12 115.95 117.08 3kyp h TRP 80 Ca -0.08 0.02 0.21 0.00 2.06 0.00 0.00 58.89 61.09 3kyp h TRP 80 Cb 0.81 -0.09 -0.07 0.00 -1.00 0.00 0.00 29.16 28.82 3kyp h TRP 80 CO -0.12 0.17 0.60 0.00 -3.56 0.00 0.00 178.44 175.53 3kyp h ALA 81 N 1.21 2.22 0.00 1.49 0.00 -1.59 -1.21 119.26 121.37 3kyp h ALA 81 Ca 0.16 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3kyp h ALA 81 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kyp h ALA 81 CO -0.13 -0.51 -1.17 0.09 0.00 0.00 0.00 179.25 177.54 3kyp n ASN 82 N -4.51 0.58 -0.04 0.00 4.13 -0.84 -3.79 115.26 110.79 3kyp n ASN 82 Ca 0.19 -0.26 -0.15 0.00 1.68 0.00 0.00 54.58 56.04 3kyp n ASN 82 Cb 0.71 0.99 -0.13 0.00 -1.54 0.00 0.00 39.78 39.81 3kyp n ASN 82 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 3kyp h THR 83 N 0.00 1.68 0.35 3.41 2.02 0.20 -3.33 112.91 117.24 3kyp h THR 83 Ca 0.00 -2.26 -0.02 0.00 0.77 0.00 0.00 66.41 64.90 3kyp h THR 83 Cb 0.75 3.19 0.00 0.00 -1.74 0.00 0.00 68.15 70.36 3kyp h THR 83 CO 0.00 0.60 -0.17 -0.07 0.37 0.00 0.00 175.52 176.26 3kyp h LEU 84 N -0.76 -0.39 -1.70 2.58 3.38 -1.60 -3.25 115.31 113.56 3kyp h LEU 84 Ca -0.03 0.01 0.42 0.00 0.09 0.00 0.00 57.88 58.37 3kyp h LEU 84 Cb 1.11 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.90 3kyp h LEU 84 CO 0.04 -0.26 1.19 -0.09 0.09 0.00 0.00 178.44 179.41 3kyp h ARG 85 N -0.51 0.00 -0.88 1.13 2.43 -1.77 0.65 114.38 115.43 3kyp h ARG 85 Ca -0.05 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.64 3kyp h ARG 85 Cb 0.36 0.00 -0.28 0.00 -0.42 0.00 0.00 29.97 29.63 3kyp h ARG 85 CO 0.08 0.00 0.53 0.36 -1.51 0.00 0.00 179.97 179.43 3kyp n LYS 86 N -3.74 2.25 -2.82 0.20 2.85 -1.23 -2.79 118.16 112.88 3kyp n LYS 86 Ca 0.32 -3.09 -0.36 0.00 -1.05 0.00 0.00 58.31 54.12 3kyp n LYS 86 Cb 1.63 -2.13 -0.07 0.00 -0.65 0.00 0.00 35.03 33.82 3kyp n LYS 86 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 3kyp s HIS 87 N -3.36 3.62 -0.82 5.58 2.46 0.23 -4.84 115.29 118.15 3kyp s HIS 87 Ca 0.56 1.72 -0.23 0.00 0.47 0.00 0.00 55.06 57.57 3kyp s HIS 87 Cb 0.47 -2.88 -0.20 0.00 -0.13 0.00 0.00 32.58 29.84 3kyp s HIS 87 CO 0.08 0.16 2.15 -2.30 -2.47 0.00 0.00 174.74 172.36 3kyp n PRO 88 N 0.34 0.00 0.00 2.88 -0.02 -1.26 -3.90 135.00 133.04 3kyp n PRO 88 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3kyp n PRO 88 Cb 0.51 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.82 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 8.01 0.00 -0.51 3.55 0.00 -1.26 -4.57 120.51 125.73 3kyp n ALA 89 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3kyp n ALA 89 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 0.09 0.00 -0.00 -1.26 -0.73 117.00 115.10 3kyp n LEU 90 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 55.96 3kyp n LEU 90 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3kyp n LEU 90 CO 0.00 0.00 0.29 0.28 -0.00 0.00 0.00 177.39 177.96 3kyp h SER 91 N 0.00 0.00 0.00 1.45 0.02 -1.81 -3.28 113.55 109.94 3kyp h SER 91 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kyp h SER 91 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3kyp h SER 91 CO 0.00 0.84 0.00 -0.90 -1.14 0.00 0.00 176.83 175.63 3kyp n ASP 92 N -3.54 0.28 -2.75 3.07 5.75 0.10 -1.49 116.55 117.96 3kyp n ASP 92 Ca -0.00 -0.57 -0.03 0.00 -0.01 0.00 0.00 54.79 54.18 3kyp n ASP 92 Cb 0.80 -0.14 0.07 0.00 -1.03 0.00 0.00 41.12 40.83 3kyp n ASP 92 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 3kyp n ILE 93 N 0.33 0.80 -3.92 2.12 -5.35 -1.24 -4.96 119.36 107.15 3kyp n ILE 93 Ca 0.00 -2.38 -0.30 0.00 -0.27 0.00 0.00 62.75 59.81 3kyp n ILE 93 Cb 0.07 1.08 -0.04 0.00 -1.74 0.00 0.00 39.64 39.01 3kyp n ILE 93 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3kyp s VAL 94 N -2.39 5.36 0.26 7.28 0.11 -0.56 -3.58 120.40 126.89 3kyp s VAL 94 Ca 0.22 -0.46 -0.31 0.00 -2.93 0.00 0.00 61.98 58.51 3kyp s VAL 94 Cb 0.39 -3.66 -0.13 0.00 -1.53 0.00 0.00 36.38 31.45 3kyp s VAL 94 CO -0.05 0.07 1.42 -2.65 -3.33 0.00 0.00 175.10 170.56 3kyp n PRO 95 N 0.05 2.15 0.28 1.54 -0.02 -1.26 -4.86 135.00 132.88 3kyp n PRO 95 Ca -0.05 0.76 0.13 0.00 -2.02 0.00 0.00 63.50 62.32 3kyp n PRO 95 Cb 0.52 -2.43 0.83 0.00 -0.02 0.00 0.00 33.50 32.40 3kyp n PRO 95 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3kyp h GLU 96 N 4.05 0.00 0.00 -0.52 4.11 -1.97 -0.78 114.58 119.47 3kyp h GLU 96 Ca -0.45 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.95 3kyp h GLU 96 Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 3kyp h GLU 96 CO 0.74 0.03 -0.10 -0.44 0.07 0.00 0.00 179.01 179.31 3kyp h ASP 97 N 0.00 0.00 0.30 3.06 3.45 -1.94 -2.35 116.42 118.94 3kyp h ASP 97 Ca -0.00 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.34 3kyp h ASP 97 Cb 0.07 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.82 3kyp h ASP 97 CO 0.00 0.10 -0.47 -0.29 -1.57 0.00 0.00 179.24 177.01 3kyp h ILE 98 N 0.00 1.34 0.47 0.35 6.09 -1.47 -3.30 117.51 120.99 3kyp h ILE 98 Ca -0.00 -1.66 -0.02 0.00 -1.37 0.00 0.00 64.86 61.80 3kyp h ILE 98 Cb 0.25 1.80 0.00 0.00 0.47 0.00 0.00 36.82 39.34 3kyp h ILE 98 CO 0.01 0.49 -0.23 0.44 -3.07 0.00 0.00 178.15 175.80 3kyp h ASP 99 N 0.16 -0.54 0.00 2.19 3.32 -1.53 0.70 116.42 120.72 3kyp h ASP 99 Ca 0.01 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3kyp h ASP 99 Cb 0.90 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.59 3kyp h ASP 99 CO 0.07 -0.15 0.27 2.30 -1.72 0.00 0.00 179.24 180.02 3kyp n ILE 100 N -5.23 0.91 -0.07 0.35 -5.35 -1.23 0.23 119.36 108.97 3kyp n ILE 100 Ca -0.10 0.52 -0.14 0.00 -0.27 0.00 0.00 62.75 62.76 3kyp n ILE 100 Cb 0.30 -1.52 -0.06 0.00 -1.74 0.00 0.00 39.64 36.63 3kyp n ILE 100 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 3kyp n LEU 101 N -1.30 1.67 -2.15 7.28 0.00 -1.11 -4.70 117.00 116.70 3kyp n LEU 101 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 56.01 56.10 3kyp n LEU 101 Cb 0.28 -0.45 0.00 0.00 0.00 0.00 0.00 43.42 43.25 3kyp n LEU 101 CO 0.00 0.44 0.11 -3.20 0.00 0.00 0.00 177.39 174.75 3kyp n ASN 102 N -3.41 0.00 -3.30 1.96 2.85 0.24 -4.19 115.26 109.42 3kyp n ASN 102 Ca -0.27 -1.05 -0.28 0.00 -0.11 0.00 0.00 54.58 52.87 3kyp n ASN 102 Cb 0.72 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.68 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 2.16 3.74 -2.64 1.20 8.25 -1.24 -3.56 115.22 123.14 3kyp n HIS 103 Ca 0.00 -4.06 -0.32 0.00 -0.26 0.00 0.00 57.72 53.09 3kyp n HIS 103 Cb 0.00 -0.56 -0.04 0.00 1.12 0.00 0.00 29.99 30.51 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 -2.81 3.76 -0.02 2.41 2.34 -1.26 -4.73 118.68 118.37 3kyp s LEU 104 Ca 0.42 1.43 -0.16 0.00 0.06 0.00 0.00 54.13 55.89 3kyp s LEU 104 Cb 0.19 -4.33 -0.33 0.00 -0.56 0.00 0.00 46.19 41.15 3kyp s LEU 104 CO -0.05 -0.47 0.85 0.58 -1.06 0.00 0.00 176.35 176.20 3kyp h VAL 105 N 1.18 1.21 -3.77 1.48 2.07 -1.47 -3.45 116.25 113.49 3kyp h VAL 105 Ca -0.47 -2.59 -0.19 0.00 0.82 0.00 0.00 66.70 64.26 3kyp h VAL 105 Cb 1.18 2.97 -0.24 0.00 -1.52 0.00 0.00 31.29 33.69 3kyp h VAL 105 CO 0.62 0.79 -0.67 -0.75 0.02 0.00 0.00 177.57 177.59 3kyp s LYS 106 N -2.55 0.19 0.01 1.57 2.20 -0.68 -4.63 119.74 115.85 3kyp s LYS 106 Ca -0.13 -0.26 0.05 0.00 -0.36 0.00 0.00 55.97 55.28 3kyp s LYS 106 Cb 0.04 0.07 -0.02 0.00 -1.51 0.00 0.00 37.83 36.41 3kyp s LYS 106 CO 0.89 -0.03 -0.17 -1.17 -0.36 0.00 0.00 175.35 174.51 3kyp s LEU 107 N -0.71 2.09 -0.05 5.43 0.20 -1.26 -0.98 118.68 123.40 3kyp s LEU 107 Ca -0.08 -0.38 -0.03 0.00 0.69 0.00 0.00 54.13 54.34 3kyp s LEU 107 Cb -0.05 -0.82 0.02 0.00 -0.43 0.00 0.00 46.19 44.91 3kyp s LEU 107 CO -0.00 0.16 0.11 -0.62 -0.29 0.00 0.00 176.35 175.70 3kyp s ASP 108 N -0.71 -0.08 0.13 3.68 3.68 -0.82 -4.99 116.67 117.55 3kyp s ASP 108 Ca 0.06 0.22 0.11 0.00 2.13 0.00 0.00 52.55 55.06 3kyp s ASP 108 Cb -0.07 0.16 -0.04 0.00 -1.45 0.00 0.00 42.92 41.52 3kyp s ASP 108 CO 0.00 -0.09 -0.27 -0.22 0.13 0.00 0.00 175.17 174.73 3kyp s LEU 109 N 0.60 2.32 -0.18 -1.34 1.98 -1.26 -1.25 118.68 119.55 3kyp s LEU 109 Ca -0.05 -0.74 -0.12 0.00 -2.89 0.00 0.00 54.13 50.33 3kyp s LEU 109 Cb -0.06 -1.23 0.06 0.00 0.66 0.00 0.00 46.19 45.62 3kyp s LEU 109 CO -0.03 0.18 0.45 -0.75 -1.89 0.00 0.00 176.35 174.32 3kyp s LYS 110 N -2.05 0.47 -0.28 1.98 2.20 -1.18 -5.03 119.74 115.85 3kyp s LYS 110 Ca 0.14 0.78 0.01 0.00 -0.36 0.00 0.00 55.97 56.54 3kyp s LYS 110 Cb -0.10 0.08 0.08 0.00 -1.51 0.00 0.00 37.83 36.39 3kyp s LYS 110 CO 0.06 -0.13 0.03 -0.51 -0.36 0.00 0.00 175.35 174.44 3kyp s ASP 111 N 1.06 4.06 -0.33 1.43 -0.00 -1.26 -2.30 116.67 119.32 3kyp s ASP 111 Ca -0.07 -1.54 0.06 0.00 -0.00 0.00 0.00 52.55 51.00 3kyp s ASP 111 Cb -0.06 -1.13 0.19 0.00 -0.00 0.00 0.00 42.92 41.92 3kyp s ASP 111 CO -0.09 -0.34 0.63 0.20 -0.00 0.00 0.00 175.17 175.58 3kyp s ASN 112 N 1.39 -1.52 0.00 0.27 0.01 -1.26 -4.91 114.94 108.93 3kyp s ASN 112 Ca 0.04 -0.15 0.00 0.00 -0.71 0.00 0.00 52.86 52.04 3kyp s ASN 112 Cb -0.18 1.94 0.00 0.00 0.41 0.00 0.00 41.25 43.42 3kyp s ASN 112 CO -0.13 -0.24 0.00 0.80 -1.51 0.00 0.00 177.10 176.02 3kyp n MET 113 N 5.03 0.00 0.00 -0.60 0.00 -1.26 -4.79 117.12 115.50 3kyp n MET 113 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.77 3kyp n MET 113 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.77 3kyp n MET 113 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 3kyp n ASP 114 N 0.00 0.00 -4.53 6.12 9.92 -1.26 -4.59 116.55 122.22 3kyp n ASP 114 Ca 0.00 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 53.93 3kyp n ASP 114 Cb 0.00 0.00 0.13 0.00 -0.64 0.00 0.00 41.12 40.61 3kyp n ASP 114 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 3kyp n ASN 115 N 0.00 -0.97 0.00 -2.24 0.23 -1.26 -4.65 115.26 106.36 3kyp n ASN 115 Ca 0.00 0.40 0.00 0.00 -0.53 0.00 0.00 54.58 54.45 3kyp n ASN 115 Cb 0.00 -1.32 0.00 0.00 -2.08 0.00 0.00 39.78 36.38 3kyp n ASN 115 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3kyp n ASN 116 N -2.40 0.00 -3.80 0.53 5.15 -1.26 -4.72 115.26 108.76 3kyp n ASN 116 Ca 0.09 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 54.01 3kyp n ASN 116 Cb 0.53 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.76 3kyp n ASN 116 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3kyp s GLY 117 N 0.00 -0.09 0.00 8.20 0.00 -1.26 -4.95 107.32 109.21 3kyp s GLY 117 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.47 3kyp s GLY 117 CO 0.00 -0.06 0.00 1.44 0.00 0.00 0.00 173.10 174.48 3kyp n SER 118 N -0.51 0.00 -0.07 1.64 7.64 -1.26 -4.07 113.62 116.99 3kyp n SER 118 Ca -0.05 0.37 -0.01 0.00 1.01 0.00 0.00 58.87 60.19 3kyp n SER 118 Cb 0.59 -0.42 -0.00 0.00 -1.01 0.00 0.00 64.21 63.37 3kyp n SER 118 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3kyp n TYR 119 N -1.83 0.00 -1.51 1.43 4.01 -0.97 -3.48 117.16 114.81 3kyp n TYR 119 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 3kyp n TYR 119 Cb 0.00 -0.52 -0.07 0.00 -0.31 0.00 0.00 39.34 38.44 3kyp n TYR 119 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3kyp n LYS 120 N -2.42 0.87 -3.50 -0.72 4.81 -1.13 -4.41 118.16 111.65 3kyp n LYS 120 Ca -0.01 0.11 -0.29 0.00 -0.87 0.00 0.00 58.31 57.26 3kyp n LYS 120 Cb 0.10 -2.71 -0.03 0.00 0.02 0.00 0.00 35.03 32.40 3kyp n LYS 120 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3kyp s ILE 121 N 9.88 5.09 -0.21 3.15 1.01 -0.56 -3.08 121.20 136.48 3kyp s ILE 121 Ca 1.10 -0.06 -0.08 0.00 0.00 0.00 0.00 60.65 61.62 3kyp s ILE 121 Cb -0.63 -3.71 0.09 0.00 0.01 0.00 0.00 42.46 38.23 3kyp s ILE 121 CO 0.38 -0.21 0.45 0.28 0.00 0.00 0.00 174.94 175.84 3kyp s THR 122 N -1.94 -0.62 -0.18 2.92 -1.32 -0.38 -0.48 115.64 113.63 3kyp s THR 122 Ca 0.42 0.14 -0.09 0.00 -1.21 0.00 0.00 61.69 60.95 3kyp s THR 122 Cb -0.11 -0.70 -0.05 0.00 -1.51 0.00 0.00 72.50 70.13 3kyp s THR 122 CO 0.28 0.06 0.13 -0.36 -2.21 0.00 0.00 174.62 172.52 3kyp s PHE 123 N 2.53 3.45 -0.32 9.09 2.99 -0.48 -1.95 117.98 133.30 3kyp s PHE 123 Ca -0.03 0.37 0.03 0.00 0.00 0.00 0.00 56.93 57.30 3kyp s PHE 123 Cb -0.12 -2.10 0.09 0.00 0.00 0.00 0.00 43.02 40.89 3kyp s PHE 123 CO -0.14 0.40 0.03 0.42 -0.00 0.00 0.00 175.22 175.93 3kyp s ILE 124 N 0.00 2.02 0.00 0.64 1.09 -0.15 0.43 121.20 125.23 3kyp s ILE 124 Ca 0.10 -2.04 0.00 0.00 -1.10 0.00 0.00 60.65 57.61 3kyp s ILE 124 Cb -0.11 -2.43 0.00 0.00 -1.06 0.00 0.00 42.46 38.86 3kyp s ILE 124 CO -0.00 -0.49 0.00 0.49 -0.10 0.00 0.00 174.94 174.84 3kyp n PHE 125 N 4.39 -1.41 -0.13 3.97 3.72 -1.23 -1.36 117.46 125.41 3kyp n PHE 125 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3kyp n PHE 125 Cb 0.42 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 3kyp n PHE 125 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kyp n GLY 126 N 5.00 0.48 2.79 1.37 0.00 -1.26 -4.61 105.19 108.95 3kyp n GLY 126 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 0.85 0.00 1.61 0.41 -1.26 -5.09 118.70 115.22 3kyp s GLU 127 Ca 0.00 -0.34 0.00 0.00 -0.41 0.00 0.00 54.97 54.22 3kyp s GLU 127 Cb 0.00 -1.84 0.00 0.00 -1.78 0.00 0.00 34.13 30.51 3kyp s GLU 127 CO 0.00 -0.51 0.00 1.63 -0.49 0.00 0.00 175.26 175.89 3kyp n LYS 128 N 5.02 0.00 -0.22 1.61 4.01 -1.26 -4.51 118.16 122.81 3kyp n LYS 128 Ca -0.09 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.71 3kyp n LYS 128 Cb 0.48 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.00 3kyp n LYS 128 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kyp n ALA 129 N -3.00 0.00 -1.25 7.82 0.00 -1.26 -3.95 120.51 118.86 3kyp n ALA 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kyp n ALA 129 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.14 0.00 0.00 0.00 5.02 -1.26 -4.84 118.16 115.94 3kyp n LYS 130 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kyp n LYS 130 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.86 3kyp n LYS 130 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3kyp n GLU 131 N 0.00 0.00 -0.38 1.97 0.28 -1.25 -2.81 120.64 118.45 3kyp n GLU 131 Ca 0.00 0.00 0.29 0.00 -0.16 0.00 0.00 57.16 57.29 3kyp n GLU 131 Cb 0.17 0.00 0.57 0.00 1.43 0.00 0.00 31.44 33.61 3kyp n GLU 131 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 177.13 177.71 3kyp h PHE 132 N 0.00 0.62 -3.29 -1.84 -1.00 -1.73 -3.42 116.94 106.29 3kyp h PHE 132 Ca 0.00 0.02 -0.67 0.00 2.81 0.00 0.00 57.97 60.14 3kyp h PHE 132 Cb 0.00 -0.17 -0.31 0.00 3.61 0.00 0.00 35.95 39.09 3kyp h PHE 132 CO 0.00 -0.09 -0.82 0.00 -1.61 0.00 0.00 178.31 175.79 3kyp s MET 133 N -5.42 3.19 -0.00 1.51 0.23 -1.26 -5.04 119.30 112.51 3kyp s MET 133 Ca -0.08 -0.77 -0.15 0.00 -1.03 0.00 0.00 55.69 53.65 3kyp s MET 133 Cb 0.28 -2.54 -0.08 0.00 -1.53 0.00 0.00 34.83 30.95 3kyp s MET 133 CO 0.81 0.08 0.83 0.93 -2.03 0.00 0.00 175.02 175.64 3kyp h GLU 134 N 7.10 -0.52 -6.53 3.16 3.07 -1.93 -3.43 114.58 115.50 3kyp h GLU 134 Ca -0.29 0.04 -0.53 0.00 -0.50 0.00 0.00 59.36 58.08 3kyp h GLU 134 Cb 1.20 0.12 0.02 0.00 -0.84 0.00 0.00 28.75 29.25 3kyp h GLU 134 CO 0.55 -0.35 0.74 -2.14 -1.40 0.00 0.00 179.01 176.41 3kyp s PRO 135 N -3.54 4.31 -0.47 2.33 0.02 -1.24 -3.49 135.00 132.92 3kyp s PRO 135 Ca -0.08 2.07 0.02 0.00 0.02 0.00 0.00 61.00 63.03 3kyp s PRO 135 Cb 0.01 -3.29 0.12 0.00 0.02 0.00 0.00 34.50 31.37 3kyp s PRO 135 CO 0.24 -0.46 0.23 -0.51 -0.33 0.00 0.00 177.00 176.17 3kyp s LEU 136 N 1.26 4.76 0.50 -5.54 1.02 0.17 -4.93 118.68 115.92 3kyp s LEU 136 Ca 0.65 -2.60 -0.14 0.00 0.02 0.00 0.00 54.13 52.05 3kyp s LEU 136 Cb -0.36 -1.71 -0.07 0.00 0.02 0.00 0.00 46.19 44.07 3kyp s LEU 136 CO 0.30 -0.34 0.94 -0.89 0.02 0.00 0.00 176.35 176.37 3kyp s THR 137 N 0.29 4.63 -0.40 5.49 2.01 -1.26 -1.38 115.64 125.03 3kyp s THR 137 Ca 0.14 1.00 0.06 0.00 0.31 0.00 0.00 61.69 63.19 3kyp s THR 137 Cb -0.22 -3.75 0.17 0.00 0.01 0.00 0.00 72.50 68.70 3kyp s THR 137 CO -0.04 -0.73 0.51 -0.22 -0.69 0.00 0.00 174.62 173.46 3kyp s LEU 138 N -4.21 -0.81 0.14 4.42 1.98 0.36 -4.73 118.68 115.84 3kyp s LEU 138 Ca 0.56 -1.22 -0.30 0.00 -2.89 0.00 0.00 54.13 50.29 3kyp s LEU 138 Cb -0.10 1.28 -0.07 0.00 0.66 0.00 0.00 46.19 47.97 3kyp s LEU 138 CO 0.35 -0.21 0.97 0.68 -1.89 0.00 0.00 176.35 176.25 3kyp s VAL 139 N 1.60 4.36 0.03 1.68 -7.23 -1.26 -1.50 120.40 118.08 3kyp s VAL 139 Ca 0.17 2.05 0.02 0.00 -1.81 0.00 0.00 61.98 62.41 3kyp s VAL 139 Cb -0.09 -4.31 -0.04 0.00 0.56 0.00 0.00 36.38 32.50 3kyp s VAL 139 CO -0.05 0.36 0.02 -0.75 -0.31 0.00 0.00 175.10 174.37 3kyp s LYS 140 N -0.29 2.78 -0.13 4.82 2.47 -1.23 -4.11 119.74 124.05 3kyp s LYS 140 Ca 0.46 -0.66 -0.04 0.00 -1.56 0.00 0.00 55.97 54.16 3kyp s LYS 140 Cb -0.24 -2.67 0.07 0.00 -1.46 0.00 0.00 37.83 33.52 3kyp s LYS 140 CO 0.31 0.60 0.24 -1.01 0.16 0.00 0.00 175.35 175.65 3kyp s HIS 141 N -1.20 -0.37 0.31 4.03 3.76 -1.26 -4.54 115.29 116.02 3kyp s HIS 141 Ca 0.23 0.80 0.06 0.00 -0.15 0.00 0.00 55.06 56.01 3kyp s HIS 141 Cb -0.12 -0.12 -0.02 0.00 1.11 0.00 0.00 32.58 33.44 3kyp s HIS 141 CO 0.15 -0.39 0.41 0.08 -0.85 0.00 0.00 174.74 174.14 3kyp s VAL 142 N 2.39 4.21 0.03 -0.90 1.01 -1.26 -3.35 120.40 122.53 3kyp s VAL 142 Ca 0.03 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.93 3kyp s VAL 142 Cb -0.13 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.80 3kyp s VAL 142 CO -0.09 -0.20 0.00 2.22 0.00 0.00 0.00 175.10 177.03 3kyp n PHE 144 N -1.53 -0.21 0.00 5.22 -1.74 -1.26 -4.82 117.46 113.12 3kyp n PHE 144 Ca -0.02 0.11 0.00 0.00 -0.56 0.00 0.00 57.45 56.98 3kyp n PHE 144 Cb 0.58 -0.19 0.00 0.00 1.52 0.00 0.00 39.48 41.39 3kyp n PHE 144 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 3kyp n ASP 145 N -1.99 0.00 -0.01 5.98 9.92 -1.26 -4.97 116.55 124.22 3kyp n ASP 145 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3kyp n ASP 145 Cb 0.02 0.13 0.00 0.00 -0.64 0.00 0.00 41.12 40.63 3kyp n ASP 145 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3kyp n ASN 146 N -1.69 0.00 0.00 -2.24 3.02 -1.26 -4.66 115.26 108.43 3kyp n ASN 146 Ca 0.00 -0.47 0.00 0.00 -0.03 0.00 0.00 54.58 54.08 3kyp n ASN 146 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3kyp n ASN 146 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3kyp n LYS 150 N 0.00 0.00 0.00 3.52 0.00 -1.26 -5.26 118.16 115.16 3kyp n LYS 150 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3kyp n LYS 150 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.26 3kyp n LYS 150 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3kyp n VAL 151 N -1.15 0.00 -1.10 0.58 0.31 -1.21 -4.43 118.33 111.32 3kyp n VAL 151 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3kyp n VAL 151 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.00 -6.38 -4.45 2.52 0.24 -1.24 -5.01 118.33 104.02 3kyp n VAL 152 Ca 0.00 1.29 -0.23 0.00 -2.04 0.00 0.00 64.34 63.37 3kyp n VAL 152 Cb 0.00 -3.37 -0.16 0.00 -1.47 0.00 0.00 33.84 28.84 3kyp n VAL 152 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3kyp s GLU 153 N -2.10 1.33 0.00 7.34 8.01 -1.26 -5.03 118.70 126.99 3kyp s GLU 153 Ca 0.00 -0.32 0.00 0.00 0.01 0.00 0.00 54.97 54.66 3kyp s GLU 153 Cb 0.00 -1.16 0.00 0.00 -4.31 0.00 0.00 34.13 28.66 3kyp s GLU 153 CO 0.00 0.03 0.00 0.00 0.01 0.00 0.00 175.26 175.30 3kyp n THR 155 N 0.00 0.00 -1.63 0.00 5.66 -1.26 -4.78 114.28 112.28 3kyp n THR 155 Ca 0.00 0.00 -0.52 0.00 -3.05 0.00 0.00 64.05 60.48 3kyp n THR 155 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 3kyp n THR 155 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 3kyp n ARG 156 N -0.14 1.30 -0.07 1.09 0.00 -1.26 -4.91 116.66 112.66 3kyp n ARG 156 Ca 0.00 0.47 -0.08 0.00 -0.00 0.00 0.00 57.85 58.24 3kyp n ARG 156 Cb 0.00 -2.14 -0.03 0.00 -0.00 0.00 0.00 32.46 30.29 3kyp n ARG 156 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 3kyp n ILE 157 N 3.12 1.38 -3.35 8.89 5.41 -1.26 -4.96 119.36 128.58 3kyp n ILE 157 Ca 0.20 0.18 -0.37 0.00 1.00 0.00 0.00 62.75 63.76 3kyp n ILE 157 Cb 0.19 -2.23 0.04 0.00 -0.71 0.00 0.00 39.64 36.93 3kyp n ILE 157 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3kyp n LYS 158 N -4.25 -1.79 -4.24 0.38 4.81 -1.26 -4.46 118.16 107.34 3kyp n LYS 158 Ca -0.12 1.32 -0.35 0.00 -0.87 0.00 0.00 58.31 58.29 3kyp n LYS 158 Cb 0.44 -1.85 -0.09 0.00 0.02 0.00 0.00 35.03 33.55 3kyp n LYS 158 CO 0.00 0.00 0.00 1.67 1.17 0.00 0.00 177.40 180.24 3kyp s TRP 159 N -1.36 3.27 0.93 5.64 -2.14 -1.26 -2.70 118.94 121.32 3kyp s TRP 159 Ca 0.36 0.26 -0.11 0.00 2.66 0.00 0.00 56.10 59.27 3kyp s TRP 159 Cb -0.04 -1.84 0.18 0.00 -3.10 0.00 0.00 33.47 28.67 3kyp s TRP 159 CO 0.82 0.52 0.40 1.63 -2.66 0.00 0.00 176.95 177.66 3kyp n LYS 160 N 2.16 -1.28 -1.91 3.25 5.02 -1.12 -4.89 118.16 119.39 3kyp n LYS 160 Ca -0.19 -0.68 -0.42 0.00 -2.02 0.00 0.00 58.31 55.01 3kyp n LYS 160 Cb 0.54 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 34.15 3kyp n LYS 160 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3kyp s GLU 161 N -3.39 4.21 0.00 1.97 -6.30 -1.26 -3.68 118.70 110.25 3kyp s GLU 161 Ca 0.31 2.40 0.00 0.00 -2.50 0.00 0.00 54.97 55.18 3kyp s GLU 161 Cb -0.05 -3.12 0.00 0.00 0.00 0.00 0.00 34.13 30.96 3kyp s GLU 161 CO 0.26 -0.58 0.00 0.41 0.02 0.00 0.00 175.26 175.37 3kyp n GLY 162 N 3.15 0.76 3.65 -1.50 0.00 -1.26 -4.92 105.19 105.08 3kyp n GLY 162 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3kyp n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kyp s LYS 163 N 0.00 4.07 0.00 1.61 3.01 -1.24 -4.86 119.74 122.32 3kyp s LYS 163 Ca 0.00 2.09 0.00 0.00 -1.01 0.00 0.00 55.97 57.05 3kyp s LYS 163 Cb 0.00 -4.01 0.00 0.00 -1.01 0.00 0.00 37.83 32.81 3kyp s LYS 163 CO 0.00 -0.98 0.00 0.27 0.51 0.00 0.00 175.35 175.15 3kyp n ASN 164 N 7.57 0.00 -4.90 2.83 6.94 -1.26 -4.55 115.26 121.88 3kyp n ASN 164 Ca 0.18 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.44 3kyp n ASN 164 Cb 0.43 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.81 3kyp n ASN 164 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 3kyp s PRO 165 N -1.49 3.61 0.00 -0.53 0.04 -1.26 -4.87 135.00 130.50 3kyp s PRO 165 Ca 0.00 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 60.93 3kyp s PRO 165 Cb 0.00 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.75 3kyp s PRO 165 CO 0.00 0.39 0.00 1.51 0.04 0.00 0.00 177.00 178.94 3kyp n ILE 166 N -0.33 0.00 -3.82 0.56 0.00 -1.26 -5.17 119.36 109.34 3kyp n ILE 166 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 62.75 62.42 3kyp n ILE 166 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 39.64 40.06 3kyp n ILE 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kyp s ALA 167 N -1.75 3.94 0.00 1.51 0.00 -1.26 -5.12 121.76 119.07 3kyp s ALA 167 Ca 0.00 -3.82 0.00 0.00 0.00 0.00 0.00 51.96 48.14 3kyp s ALA 167 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.74 3kyp s ALA 167 CO 0.00 -2.11 0.00 1.51 0.00 0.00 0.00 175.76 175.16 3kyp n ILE 185 N 2.14 0.00 -3.25 0.00 0.13 -1.24 -4.99 119.36 112.15 3kyp n ILE 185 Ca 0.20 0.00 -0.39 0.00 -1.10 0.00 0.00 62.75 61.46 3kyp n ILE 185 Cb 0.35 0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 39.10 3kyp n ILE 185 CO 0.00 0.00 0.00 0.12 2.80 0.00 0.00 176.55 179.47 3kyp s PHE 186 N 0.00 3.77 0.00 9.51 5.36 -1.26 -4.90 117.98 130.46 3kyp s PHE 186 Ca 0.00 1.25 0.00 0.00 -0.96 0.00 0.00 56.93 57.22 3kyp s PHE 186 Cb 0.00 -2.53 0.00 0.00 -0.34 0.00 0.00 43.02 40.15 3kyp s PHE 186 CO 0.00 0.51 0.00 -0.85 -1.46 0.00 0.00 175.22 173.42 3kyp n GLU 187 N 2.05 0.00 0.00 10.12 0.28 -1.26 -4.73 120.64 127.09 3kyp n GLU 187 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 3kyp n GLU 187 Cb 0.51 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.38 3kyp n GLU 187 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 177.13 178.84 3kyp n TRP 188 N 0.00 -0.41 -3.40 -1.84 -0.00 -1.26 -4.19 117.44 106.33 3kyp n TRP 188 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.27 3kyp n TRP 188 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.31 31.30 3kyp n TRP 188 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 3kyp n PHE 189 N -0.41 -1.72 -2.83 5.87 3.72 -1.26 -4.90 117.46 115.93 3kyp n PHE 189 Ca 0.00 0.43 -0.20 0.00 -0.05 0.00 0.00 57.45 57.64 3kyp n PHE 189 Cb 0.00 -2.57 0.04 0.00 -0.94 0.00 0.00 39.48 36.01 3kyp n PHE 189 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 3kyp s THR 190 N -2.86 2.60 0.06 4.37 -1.32 -1.26 -4.55 115.64 112.68 3kyp s THR 190 Ca 0.40 -0.83 -0.36 0.00 -1.21 0.00 0.00 61.69 59.69 3kyp s THR 190 Cb -0.22 -2.77 -0.20 0.00 -1.51 0.00 0.00 72.50 67.80 3kyp s THR 190 CO 0.50 0.00 1.60 0.71 -2.21 0.00 0.00 174.62 175.21 3kyp h THR 191 N 0.19 0.15 0.00 5.08 1.35 -1.93 -3.41 112.91 114.35 3kyp h THR 191 Ca -0.38 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 3kyp h THR 191 Cb 1.29 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 3kyp h THR 191 CO 0.46 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 175.06 3kyp n ASP 192 N -5.59 0.89 0.00 5.36 2.03 -1.26 -4.86 116.55 113.12 3kyp n ASP 192 Ca -0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.16 3kyp n ASP 192 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 3kyp n ASP 192 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3kyp n GLU 193 N 0.00 0.00 0.00 -0.67 4.71 -1.26 -4.91 120.64 118.51 3kyp n GLU 193 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3kyp n GLU 193 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 3kyp n GLU 193 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 3kyp n LEU 194 N 0.00 0.00 0.00 -4.62 -0.00 -1.26 -4.98 117.00 106.14 3kyp n LEU 194 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3kyp n LEU 194 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3kyp n LEU 194 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 3kyp n GLN 195 N 0.00 0.00 -1.62 1.47 3.00 -1.26 -4.64 117.38 114.33 3kyp n GLN 195 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.61 3kyp n GLN 195 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 30.24 30.29 3kyp n GLN 195 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3kyp n ASP 196 N 2.82 0.88 -4.52 1.08 8.00 -1.26 -4.69 116.55 118.87 3kyp n ASP 196 Ca 0.00 0.82 -0.38 0.00 0.71 0.00 0.00 54.79 55.94 3kyp n ASP 196 Cb 0.00 -1.40 -0.10 0.00 -0.02 0.00 0.00 41.12 39.60 3kyp n ASP 196 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3kyp n LYS 197 N -0.97 0.42 0.00 -1.24 4.01 -1.26 -4.73 118.16 114.39 3kyp n LYS 197 Ca 0.13 -0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 3kyp n LYS 197 Cb 0.47 -2.30 0.00 0.00 -0.51 0.00 0.00 35.03 32.69 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 8.65 0.00 -3.57 1.97 -0.04 -1.26 -4.94 135.00 135.81 3kyp n PRO 198 Ca 0.54 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.75 3kyp n PRO 198 Cb 0.24 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.74 3kyp n PRO 198 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3kyp n ASP 199 N 0.00 -5.74 0.08 3.54 5.75 -1.26 -4.80 116.55 114.12 3kyp n ASP 199 Ca 0.00 -0.87 0.06 0.00 -0.01 0.00 0.00 54.79 53.97 3kyp n ASP 199 Cb 0.00 -3.65 0.31 0.00 -1.03 0.00 0.00 41.12 36.75 3kyp n ASP 199 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 3kyp n VAL 200 N -3.66 1.43 0.02 2.12 0.24 -1.26 -3.03 118.33 114.19 3kyp n VAL 200 Ca -0.10 0.56 -0.01 0.00 -2.04 0.00 0.00 64.34 62.75 3kyp n VAL 200 Cb 0.59 -1.54 -0.01 0.00 -1.47 0.00 0.00 33.84 31.42 3kyp n VAL 200 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3kyp h GLY 201 N 0.36 -0.08 -0.58 7.63 0.00 -2.00 -3.25 103.07 105.14 3kyp h GLY 201 Ca 0.00 0.03 0.34 0.00 0.00 0.00 0.00 47.33 47.70 3kyp h GLY 201 CO 0.00 -0.03 0.60 0.83 0.00 0.00 0.00 176.54 177.94 3kyp h GLU 202 N -0.28 0.28 0.49 4.80 4.39 -1.91 -1.24 114.58 121.11 3kyp h GLU 202 Ca -0.01 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3kyp h GLU 202 Cb 0.06 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 3kyp h GLU 202 CO 0.01 0.19 -0.51 -0.07 -1.16 0.00 0.00 179.01 177.47 3kyp h LEU 203 N 0.29 -1.40 0.00 1.33 3.38 -1.67 -2.21 115.31 115.03 3kyp h LEU 203 Ca 0.74 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.83 3kyp h LEU 203 Cb 1.78 0.46 0.00 0.00 0.09 0.00 0.00 40.66 42.99 3kyp h LEU 203 CO -0.59 -0.66 0.00 -0.38 0.09 0.00 0.00 178.44 176.90 3kyp n ILE 204 N -5.51 0.00 -0.41 1.22 5.41 -0.48 -0.50 119.36 119.08 3kyp n ILE 204 Ca -0.12 0.35 0.33 0.00 1.00 0.00 0.00 62.75 64.31 3kyp n ILE 204 Cb 0.46 -1.29 0.50 0.00 -0.71 0.00 0.00 39.64 38.60 3kyp n ILE 204 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 3kyp n ARG 205 N 0.00 0.00 -0.03 0.38 0.00 -1.17 -1.53 116.66 114.31 3kyp n ARG 205 Ca 0.00 0.72 -0.03 0.00 -0.00 0.00 0.00 57.85 58.54 3kyp n ARG 205 Cb 0.00 -1.68 -0.01 0.00 -0.00 0.00 0.00 32.46 30.77 3kyp n ARG 205 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3kyp n ARG 206 N -3.15 0.19 -0.07 2.89 0.63 -0.83 -4.71 116.66 111.61 3kyp n ARG 206 Ca 0.27 0.22 -0.08 0.00 -0.92 0.00 0.00 57.85 57.34 3kyp n ARG 206 Cb 1.29 -0.98 -0.07 0.00 0.45 0.00 0.00 32.46 33.16 3kyp n ARG 206 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3kyp h GLU 207 N -0.38 0.00 0.13 -0.14 5.08 -0.12 -3.42 114.58 115.72 3kyp h GLU 207 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 3kyp h GLU 207 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3kyp h GLU 207 CO 0.00 0.51 -1.32 0.97 -1.00 0.00 0.00 179.01 178.17 3kyp h ILE 208 N -1.00 1.40 -0.83 3.13 6.09 -0.23 -3.40 117.51 122.68 3kyp h ILE 208 Ca -0.04 -2.99 -0.04 0.00 -1.37 0.00 0.00 64.86 60.43 3kyp h ILE 208 Cb 0.59 2.90 -0.04 0.00 0.47 0.00 0.00 36.82 40.74 3kyp h ILE 208 CO -0.02 0.87 0.38 -0.25 -3.07 0.00 0.00 178.15 176.06 3kyp h TRP 209 N 0.07 1.21 -0.56 2.19 7.01 -1.51 -2.83 115.95 121.53 3kyp h TRP 209 Ca -0.16 -0.07 0.09 0.00 2.11 0.00 0.00 58.89 60.86 3kyp h TRP 209 Cb 1.99 -0.37 -0.11 0.00 -2.10 0.00 0.00 29.16 28.57 3kyp h TRP 209 CO 0.06 0.88 -0.42 1.12 -2.79 0.00 0.00 178.44 177.30 3kyp h HIS 210 N 1.18 -1.22 -2.83 2.65 2.07 -1.82 -3.34 115.15 111.85 3kyp h HIS 210 Ca 0.28 0.08 -0.55 0.00 -2.85 0.00 0.00 60.37 57.33 3kyp h HIS 210 Cb 0.15 0.61 -0.40 0.00 2.57 0.00 0.00 27.41 30.34 3kyp h HIS 210 CO 0.02 -0.42 -0.79 1.21 -3.07 0.00 0.00 177.93 174.88 3kyp s ASN 211 N -5.15 3.52 0.25 3.10 3.84 -1.22 -5.00 114.94 114.28 3kyp s ASN 211 Ca -0.14 -1.61 0.10 0.00 0.21 0.00 0.00 52.86 51.42 3kyp s ASN 211 Cb 0.13 -0.49 0.25 0.00 -0.55 0.00 0.00 41.25 40.59 3kyp s ASN 211 CO 0.67 -0.40 1.54 1.55 -2.79 0.00 0.00 177.10 177.67 3kyp h PRO 212 N 7.97 0.00 -0.37 0.43 0.13 -1.64 -3.24 132.00 135.28 3kyp h PRO 212 Ca -0.12 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.07 3kyp h PRO 212 Cb 1.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.07 3kyp h PRO 212 CO 0.41 0.68 0.04 1.25 -0.23 0.00 0.00 178.00 180.15 3kyp h LEU 213 N 0.00 -0.07 -0.74 1.56 5.85 -1.94 -2.34 115.31 117.63 3kyp h LEU 213 Ca -0.01 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.85 3kyp h LEU 213 Cb 1.24 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 42.29 3kyp h LEU 213 CO 0.09 0.00 -0.43 -1.20 -0.34 0.00 0.00 178.44 176.56 3kyp n SER 214 N -5.14 -0.78 0.28 1.25 7.64 -1.22 -1.06 113.62 114.59 3kyp n SER 214 Ca 0.02 1.38 -0.16 0.00 1.01 0.00 0.00 58.87 61.12 3kyp n SER 214 Cb 0.18 -0.21 -0.08 0.00 -1.01 0.00 0.00 64.21 63.09 3kyp n SER 214 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 3kyp h TYR 215 N 0.00 -0.85 -0.55 1.43 0.05 -1.62 -2.36 116.97 113.07 3kyp h TYR 215 Ca 0.12 -0.01 0.16 0.00 0.05 0.00 0.00 58.73 59.05 3kyp h TYR 215 Cb 0.30 0.31 -0.02 0.00 1.01 0.00 0.00 36.73 38.33 3kyp h TYR 215 CO -0.83 -0.48 0.96 -0.92 -1.05 0.00 0.00 178.16 175.84 3kyp h TYR 216 N -0.77 0.00 -0.03 4.88 3.20 -0.63 -3.48 116.97 120.14 3kyp h TYR 216 Ca -0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.82 3kyp h TYR 216 Cb 0.64 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.91 3kyp h TYR 216 CO -0.12 0.00 0.00 1.28 -1.64 0.00 0.00 178.16 177.68