#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 -0.67 -0.21 -4.13 0.00 -2.05 -1.10 114.93 106.78 3kyp h MET 30 Ca 0.00 0.05 0.05 0.00 0.00 0.00 0.00 59.70 59.80 3kyp h MET 30 Cb 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 31.60 31.70 3kyp h MET 30 CO 0.00 -0.44 -0.15 0.37 0.00 0.00 0.00 176.91 176.69 3kyp h GLN 31 N -0.69 -0.14 -0.99 1.72 5.75 -2.05 0.34 115.11 119.05 3kyp h GLN 31 Ca -0.01 0.01 0.24 0.00 -0.15 0.00 0.00 58.65 58.75 3kyp h GLN 31 Cb 0.65 0.03 -0.08 0.00 1.07 0.00 0.00 27.48 29.15 3kyp h GLN 31 CO -0.12 -0.09 0.65 -0.44 -2.65 0.00 0.00 178.83 176.18 3kyp h ASP 32 N -0.15 0.43 -0.09 -0.69 3.32 -1.94 0.59 116.42 117.89 3kyp h ASP 32 Ca 0.12 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 3kyp h ASP 32 Cb 0.33 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3kyp h ASP 32 CO -0.29 0.12 -0.18 0.15 -1.72 0.00 0.00 179.24 177.32 3kyp h PHE 33 N 0.40 0.35 -0.57 4.55 -0.00 0.81 -2.49 116.94 119.99 3kyp h PHE 33 Ca 0.54 -0.13 0.05 0.00 -0.00 0.00 0.00 57.97 58.44 3kyp h PHE 33 Cb 1.38 -0.07 -0.05 0.00 -0.00 0.00 0.00 35.95 37.22 3kyp h PHE 33 CO -0.00 0.78 0.30 0.93 -0.00 0.00 0.00 178.31 180.32 3kyp h GLU 34 N -0.18 0.56 -0.17 1.11 5.08 0.23 -1.02 114.58 120.19 3kyp h GLU 34 Ca 0.00 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3kyp h GLU 34 Cb 0.76 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 3kyp h GLU 34 CO 0.04 0.37 -0.06 -0.44 -1.00 0.00 0.00 179.01 177.92 3kyp h ASP 35 N 0.57 -0.22 0.29 1.42 3.32 0.05 -1.41 116.42 120.44 3kyp h ASP 35 Ca 0.25 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.33 3kyp h ASP 35 Cb 0.15 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 3kyp h ASP 35 CO -0.17 -0.09 -0.15 -0.29 -1.72 0.00 0.00 179.24 176.83 3kyp h ILE 36 N -0.03 0.81 0.00 0.35 6.09 -0.99 -1.63 117.51 122.11 3kyp h ILE 36 Ca 0.09 -0.59 -0.10 0.00 -1.37 0.00 0.00 64.86 62.89 3kyp h ILE 36 Cb 0.17 1.35 -0.01 0.00 0.47 0.00 0.00 36.82 38.79 3kyp h ILE 36 CO -0.20 0.15 -0.49 1.56 -3.07 0.00 0.00 178.15 176.10 3kyp h GLN 37 N 0.00 0.00 0.00 2.19 1.08 -0.12 -2.26 115.11 116.01 3kyp h GLN 37 Ca -0.00 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.08 3kyp h GLN 37 Cb 0.34 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 3kyp h GLN 37 CO 0.02 0.49 -0.60 0.87 -0.95 0.00 0.00 178.83 178.66 3kyp h LYS 38 N 0.00 0.00 -0.28 1.46 1.57 -0.79 -1.03 116.57 117.50 3kyp h LYS 38 Ca -0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 3kyp h LYS 38 Cb 0.94 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 3kyp h LYS 38 CO 0.06 0.57 -0.29 -0.44 -0.57 0.00 0.00 179.45 178.79 3kyp h ASP 39 N 0.00 0.74 -0.50 0.86 5.19 -1.16 0.13 116.42 121.69 3kyp h ASP 39 Ca -0.01 -0.48 -0.10 0.00 -0.62 0.00 0.00 57.03 55.82 3kyp h ASP 39 Cb 1.45 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.73 3kyp h ASP 39 CO 0.07 1.07 -0.08 0.40 -3.12 0.00 0.00 179.24 177.58 3kyp h ILE 40 N 0.43 1.27 -0.00 0.35 2.04 -1.35 -2.64 117.51 117.61 3kyp h ILE 40 Ca 0.04 -1.20 -0.17 0.00 1.00 0.00 0.00 64.86 64.53 3kyp h ILE 40 Cb 0.86 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 3kyp h ILE 40 CO 0.07 0.42 -0.79 -0.08 0.00 0.00 0.00 178.15 177.77 3kyp h GLU 41 N 0.79 0.00 -0.93 2.37 4.81 -1.15 -2.99 114.58 117.48 3kyp h GLU 41 Ca 0.13 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3kyp h GLU 41 Cb 0.62 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 3kyp h GLU 41 CO 0.04 0.79 0.55 0.37 -0.73 0.00 0.00 179.01 180.03 3kyp h GLN 42 N 0.00 1.27 0.00 1.92 5.75 -0.51 0.10 115.11 123.65 3kyp h GLN 42 Ca -0.01 -0.12 -0.05 0.00 -0.15 0.00 0.00 58.65 58.32 3kyp h GLN 42 Cb 1.39 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 29.67 3kyp h GLN 42 CO 0.10 0.90 -0.24 -0.07 -2.65 0.00 0.00 178.83 176.87 3kyp h LEU 43 N 1.29 0.00 0.04 -2.39 3.38 -1.46 -1.87 115.31 114.31 3kyp h LEU 43 Ca 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 3kyp h LEU 43 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3kyp h LEU 43 CO -0.06 0.24 -0.02 0.44 0.09 0.00 0.00 178.44 179.12 3kyp h ASP 44 N 0.00 -0.05 -0.27 -0.43 5.19 -0.88 -0.55 116.42 119.43 3kyp h ASP 44 Ca -0.00 -0.46 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 3kyp h ASP 44 Cb 0.76 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.27 3kyp h ASP 44 CO 0.03 0.45 0.17 0.16 -3.12 0.00 0.00 179.24 176.93 3kyp h ILE 45 N -0.56 1.08 0.30 0.35 -0.00 -0.74 0.70 117.51 118.64 3kyp h ILE 45 Ca -0.01 -0.16 0.00 0.00 -0.00 0.00 0.00 64.86 64.70 3kyp h ILE 45 Cb 0.50 0.71 -0.03 0.00 -0.00 0.00 0.00 36.82 38.01 3kyp h ILE 45 CO 0.01 0.08 -0.35 0.11 -0.00 0.00 0.00 178.15 177.99 3kyp h LYS 46 N 0.35 -0.67 -0.56 0.16 1.57 -1.37 -1.54 116.57 114.51 3kyp h LYS 46 Ca 0.10 0.05 0.11 0.00 -1.87 0.00 0.00 60.65 59.04 3kyp h LYS 46 Cb -0.02 0.15 -0.10 0.00 0.08 0.00 0.00 32.23 32.34 3kyp h LYS 46 CO -0.02 -0.45 -0.11 0.00 -0.57 0.00 0.00 179.45 178.31 3kyp h ALA 48 N 1.55 1.38 0.06 0.00 0.00 -0.37 -2.51 119.26 119.37 3kyp h ALA 48 Ca 0.28 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3kyp h ALA 48 Cb 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kyp h ALA 48 CO -0.56 0.00 -0.03 1.25 0.00 0.00 0.00 179.25 179.92 3kyp h HIS 49 N 0.00 -0.08 -0.05 0.00 6.17 0.45 -2.01 115.15 119.63 3kyp h HIS 49 Ca -0.00 -0.00 0.02 0.00 0.71 0.00 0.00 60.37 61.09 3kyp h HIS 49 Cb 0.01 0.03 -0.00 0.00 2.52 0.00 0.00 27.41 29.96 3kyp h HIS 49 CO 0.00 -0.05 0.20 1.49 0.71 0.00 0.00 177.93 180.28 3kyp h GLU 50 N -1.01 0.00 0.02 5.26 4.81 -1.35 0.12 114.58 122.43 3kyp h GLU 50 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3kyp h GLU 50 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 3kyp h GLU 50 CO 0.01 0.00 -0.01 1.96 -0.73 0.00 0.00 179.01 180.24 3kyp h GLN 51 N 0.00 -0.03 -0.21 1.92 4.20 -1.52 -3.20 115.11 116.28 3kyp h GLN 51 Ca 0.03 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.79 3kyp h GLN 51 Cb 0.43 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.15 3kyp h GLN 51 CO -0.00 0.46 -0.24 0.52 -0.67 0.00 0.00 178.83 178.90 3kyp h MET 52 N -0.99 -0.26 -0.98 1.46 2.86 -0.45 0.36 114.93 116.94 3kyp h MET 52 Ca -0.00 0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.79 3kyp h MET 52 Cb 0.50 0.06 -0.15 0.00 0.06 0.00 0.00 31.60 32.07 3kyp h MET 52 CO 0.00 -0.17 -0.43 -0.91 1.06 0.00 0.00 176.91 176.47 3kyp h ASN 53 N -0.27 -1.57 -0.62 1.22 -0.26 -0.93 1.24 115.58 114.39 3kyp h ASN 53 Ca 0.12 0.31 -0.09 0.00 -0.56 0.00 0.00 56.30 56.09 3kyp h ASN 53 Cb 0.46 0.79 -0.02 0.00 -1.06 0.00 0.00 38.32 38.48 3kyp h ASN 53 CO -0.36 -0.28 0.05 0.16 -1.06 0.00 0.00 177.43 175.94 3kyp h ILE 54 N -0.01 1.26 -0.48 2.81 -0.00 -1.37 -1.73 117.51 118.00 3kyp h ILE 54 Ca 0.30 -1.09 0.08 0.00 -0.00 0.00 0.00 64.86 64.15 3kyp h ILE 54 Cb 0.56 0.72 -0.03 0.00 -0.00 0.00 0.00 36.82 38.07 3kyp h ILE 54 CO -0.97 0.40 0.32 -0.61 -0.00 0.00 0.00 178.15 177.30 3kyp h GLN 55 N 1.00 0.29 0.00 0.16 5.75 0.33 -0.17 115.11 122.47 3kyp h GLN 55 Ca 0.19 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 3kyp h GLN 55 Cb 0.50 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.98 3kyp h GLN 55 CO 0.02 0.19 -0.17 -0.22 -2.65 0.00 0.00 178.83 176.00 3kyp h LYS 56 N 0.30 0.00 -0.92 1.69 3.64 0.14 -3.07 116.57 118.34 3kyp h LYS 56 Ca 0.22 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 59.07 3kyp h LYS 56 Cb 0.46 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 32.00 3kyp h LYS 56 CO -0.05 0.00 0.60 0.00 -2.27 0.00 0.00 179.45 177.73 3kyp n GLN 57 N -2.69 2.35 0.00 1.90 10.64 -0.08 -3.23 117.38 126.26 3kyp n GLN 57 Ca 0.04 -3.13 0.00 0.00 -1.83 0.00 0.00 57.00 52.08 3kyp n GLN 57 Cb 0.49 -2.17 0.00 0.00 -0.86 0.00 0.00 30.24 27.70 3kyp n GLN 57 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3kyp n TYR 58 N -1.08 0.00 0.86 2.61 4.01 -1.17 -4.49 117.16 117.90 3kyp n TYR 58 Ca 0.58 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.44 3kyp n TYR 58 Cb 1.33 0.00 0.29 0.00 -0.31 0.00 0.00 39.34 40.66 3kyp n TYR 58 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3kyp n ASP 59 N -0.07 0.49 -0.07 7.72 9.92 -1.16 -1.46 116.55 131.92 3kyp n ASP 59 Ca 0.00 0.01 -0.10 0.00 -0.53 0.00 0.00 54.79 54.17 3kyp n ASP 59 Cb 0.00 0.06 -0.15 0.00 -0.64 0.00 0.00 41.12 40.39 3kyp n ASP 59 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3kyp n GLU 60 N -1.71 0.67 0.13 -1.24 -0.58 -1.21 -2.48 120.64 114.21 3kyp n GLU 60 Ca 0.05 0.13 0.02 0.00 -0.42 0.00 0.00 57.16 56.94 3kyp n GLU 60 Cb 0.37 -1.63 0.01 0.00 -0.57 0.00 0.00 31.44 29.62 3kyp n GLU 60 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3kyp h LYS 61 N 0.00 0.00 0.03 3.49 1.57 -1.78 -3.20 116.57 116.69 3kyp h LYS 61 Ca -0.44 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.05 3kyp h LYS 61 Cb 2.13 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.41 3kyp h LYS 61 CO 0.04 0.51 -1.60 0.87 -0.57 0.00 0.00 179.45 178.71 3kyp h LYS 62 N 0.00 0.07 -0.68 3.15 1.57 -1.40 -3.35 116.57 115.93 3kyp h LYS 62 Ca -0.02 -0.13 0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3kyp h LYS 62 Cb 1.42 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 33.69 3kyp h LYS 62 CO 0.07 0.76 -0.40 1.17 -0.57 0.00 0.00 179.45 180.48 3kyp n LYS 63 N -3.21 -0.30 -0.09 3.15 4.81 -1.04 0.10 118.16 121.58 3kyp n LYS 63 Ca -0.16 1.13 -0.02 0.00 -0.87 0.00 0.00 58.31 58.39 3kyp n LYS 63 Cb 1.03 -1.66 0.22 0.00 0.02 0.00 0.00 35.03 34.64 3kyp n LYS 63 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3kyp h PRO 64 N 0.00 0.74 0.58 1.64 0.13 -1.74 -2.73 132.00 130.62 3kyp h PRO 64 Ca 0.11 -0.15 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 3kyp h PRO 64 Cb 0.28 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.29 3kyp h PRO 64 CO -0.64 0.69 -0.40 -0.07 -0.23 0.00 0.00 178.00 177.35 3kyp h LEU 65 N 0.71 -1.04 -2.37 1.56 3.38 0.58 -1.71 115.31 116.42 3kyp h LEU 65 Ca 0.15 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.08 3kyp h LEU 65 Cb 0.31 0.31 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 3kyp h LEU 65 CO 0.00 -0.59 0.14 2.22 0.09 0.00 0.00 178.44 180.30 3kyp n PHE 66 N -4.91 0.79 -0.03 1.13 1.16 -0.59 -1.18 117.46 113.84 3kyp n PHE 66 Ca -0.11 -0.73 -0.17 0.00 -1.87 0.00 0.00 57.45 54.57 3kyp n PHE 66 Cb 0.40 -0.39 -0.14 0.00 -1.61 0.00 0.00 39.48 37.74 3kyp n PHE 66 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 3kyp n GLU 67 N 0.07 0.71 -0.41 3.97 4.07 -0.68 -3.68 120.64 124.69 3kyp n GLU 67 Ca 0.15 0.24 -0.00 0.00 -0.06 0.00 0.00 57.16 57.48 3kyp n GLU 67 Cb 0.76 -1.70 -0.01 0.00 -0.06 0.00 0.00 31.44 30.44 3kyp n GLU 67 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3kyp n LYS 68 N -3.28 0.83 -0.95 5.31 5.02 -0.32 -3.25 118.16 121.51 3kyp n LYS 68 Ca -0.30 -0.03 -0.07 0.00 -2.02 0.00 0.00 58.31 55.90 3kyp n LYS 68 Cb 1.05 -1.13 0.27 0.00 -0.02 0.00 0.00 35.03 35.20 3kyp n LYS 68 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3kyp n ARG 69 N 1.64 3.41 0.18 1.97 1.85 -1.24 -3.89 116.66 120.58 3kyp n ARG 69 Ca 0.01 -2.77 0.04 0.00 -1.00 0.00 0.00 57.85 54.13 3kyp n ARG 69 Cb 0.41 -2.13 0.30 0.00 -1.05 0.00 0.00 32.46 29.99 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 2.34 0.00 0.16 2.89 3.32 -1.88 -0.29 116.42 122.96 3kyp h ASP 70 Ca 0.27 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.32 3kyp h ASP 70 Cb 2.23 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.76 3kyp h ASP 70 CO 0.70 0.43 -0.20 -0.33 -1.72 0.00 0.00 179.24 178.13 3kyp h GLU 71 N 0.00 -0.39 -0.12 3.56 5.08 -1.90 -3.06 114.58 117.75 3kyp h GLU 71 Ca -0.00 0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 3kyp h GLU 71 Cb 0.93 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3kyp h GLU 71 CO 0.06 -0.26 -0.25 -0.84 -1.00 0.00 0.00 179.01 176.71 3kyp h ILE 72 N -0.41 1.38 0.00 3.13 -0.00 -1.81 -3.25 117.51 116.55 3kyp h ILE 72 Ca 0.01 -1.54 0.00 0.00 -0.00 0.00 0.00 64.86 63.33 3kyp h ILE 72 Cb 0.40 2.09 0.00 0.00 -0.00 0.00 0.00 36.82 39.31 3kyp h ILE 72 CO -0.07 0.45 0.00 -0.38 -0.00 0.00 0.00 178.15 178.15 3kyp n ILE 73 N -4.46 0.00 0.00 0.16 5.41 -0.14 -3.94 119.36 116.39 3kyp n ILE 73 Ca -0.07 0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.73 3kyp n ILE 73 Cb 0.45 -0.07 0.00 0.00 -0.71 0.00 0.00 39.64 39.31 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 -1.11 0.00 0.00 0.38 1.13 -1.24 -4.82 117.38 111.71 3kyp n GLN 74 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3kyp n GLN 74 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 3kyp n GLN 74 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 3kyp n LYS 75 N 0.00 0.00 -3.67 -1.09 2.85 -1.25 -4.32 118.16 110.68 3kyp n LYS 75 Ca 0.00 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.90 3kyp n LYS 75 Cb 0.00 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.31 3kyp n LYS 75 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3kyp s ILE 76 N 0.00 4.14 -0.27 0.58 1.01 -1.23 -5.06 121.20 120.37 3kyp s ILE 76 Ca 0.00 -3.75 -0.42 0.00 0.00 0.00 0.00 60.65 56.49 3kyp s ILE 76 Cb 0.00 -3.60 -0.17 0.00 0.01 0.00 0.00 42.46 38.70 3kyp s ILE 76 CO 0.00 -1.05 1.60 -2.65 0.00 0.00 0.00 174.94 172.85 3kyp n PRO 77 N 2.50 0.75 -2.47 2.79 -0.02 -1.26 -1.30 135.00 135.99 3kyp n PRO 77 Ca 0.19 0.28 -0.14 0.00 -2.02 0.00 0.00 63.50 61.81 3kyp n PRO 77 Cb 0.37 -1.89 0.01 0.00 -0.02 0.00 0.00 33.50 31.97 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 3.72 -0.15 0.51 -1.23 0.00 -1.26 -4.96 105.19 101.82 3kyp n GLY 78 Ca 0.26 -0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.39 -1.40 -0.20 1.61 3.57 -1.51 -2.37 116.94 116.25 3kyp h PHE 79 Ca -0.33 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.18 3kyp h PHE 79 Cb 1.24 0.53 -0.01 0.00 2.79 0.00 0.00 35.95 40.50 3kyp h PHE 79 CO 0.35 -0.70 0.14 -1.49 -2.23 0.00 0.00 178.31 174.38 3kyp h TRP 80 N -1.08 0.22 0.00 0.41 -0.00 -1.87 -0.23 115.95 113.41 3kyp h TRP 80 Ca -0.08 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.82 3kyp h TRP 80 Cb 0.91 -0.07 0.00 0.00 -0.00 0.00 0.00 29.16 30.00 3kyp h TRP 80 CO -0.22 0.14 0.00 0.00 -0.00 0.00 0.00 178.44 178.36 3kyp n ALA 81 N -2.52 2.33 0.28 1.49 0.00 -1.08 -2.50 120.51 118.52 3kyp n ALA 81 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.37 3kyp n ALA 81 Cb 0.11 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.07 3kyp n ALA 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kyp n ASN 82 N -1.48 0.53 -0.03 0.00 3.02 -0.72 -4.07 115.26 112.51 3kyp n ASN 82 Ca 0.08 -0.76 -0.01 0.00 -0.03 0.00 0.00 54.58 53.86 3kyp n ASN 82 Cb 0.33 0.81 -0.00 0.00 -0.61 0.00 0.00 39.78 40.30 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 0.26 0.00 0.49 3.41 2.02 -0.96 -3.21 112.91 114.92 3kyp h THR 83 Ca 0.00 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 3kyp h THR 83 Cb 0.17 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.56 3kyp h THR 83 CO 0.00 0.00 -0.47 -0.07 0.37 0.00 0.00 175.52 175.35 3kyp h LEU 84 N -0.55 -1.29 -1.75 2.58 3.38 -1.75 -1.58 115.31 114.34 3kyp h LEU 84 Ca 0.00 0.10 0.35 0.00 0.09 0.00 0.00 57.88 58.42 3kyp h LEU 84 Cb 0.06 0.42 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 3kyp h LEU 84 CO 0.00 -0.63 1.03 -0.09 0.09 0.00 0.00 178.44 178.84 3kyp h ARG 85 N -0.95 0.00 -0.11 1.13 2.43 -1.78 1.47 114.38 116.56 3kyp h ARG 85 Ca -0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3kyp h ARG 85 Cb 0.82 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 3kyp h ARG 85 CO -0.05 0.00 0.00 1.63 -1.51 0.00 0.00 179.97 180.04 3kyp n LYS 86 N -3.79 1.80 -2.56 0.20 5.02 -0.61 -3.70 118.16 114.51 3kyp n LYS 86 Ca 0.27 -1.18 -0.43 0.00 -2.02 0.00 0.00 58.31 54.95 3kyp n LYS 86 Cb 1.41 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 34.96 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 2.91 1.04 2.13 2.46 0.50 -5.00 115.29 117.46 3kyp s HIS 87 Ca 0.35 0.96 -0.13 0.00 0.47 0.00 0.00 55.06 56.71 3kyp s HIS 87 Cb 0.19 -3.98 0.16 0.00 -0.13 0.00 0.00 32.58 28.82 3kyp s HIS 87 CO 0.30 -1.18 0.73 -2.30 -2.47 0.00 0.00 174.74 169.81 3kyp n PRO 88 N 7.31 -1.21 -1.34 2.88 -0.02 -1.26 -4.00 135.00 137.35 3kyp n PRO 88 Ca 0.13 -0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 3kyp n PRO 88 Cb 0.48 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 -4.35 -1.84 -0.70 3.55 0.00 -1.26 -4.59 120.51 111.32 3kyp n ALA 89 Ca 0.06 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3kyp n ALA 89 Cb 0.55 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3kyp n ALA 89 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3kyp n LEU 90 N -1.26 0.00 -4.50 0.00 7.94 -1.26 -4.53 117.00 113.39 3kyp n LEU 90 Ca 0.00 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 54.56 3kyp n LEU 90 Cb 0.09 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.16 3kyp n LEU 90 CO 0.00 0.00 0.18 -1.20 -1.11 0.00 0.00 177.39 175.26 3kyp n SER 91 N 7.60 -1.06 0.00 1.96 7.64 -1.26 -2.85 113.62 125.64 3kyp n SER 91 Ca 0.00 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.33 3kyp n SER 91 Cb 0.00 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 3kyp n SER 91 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3kyp n ASP 92 N -1.69 0.00 -3.94 6.43 5.68 -1.24 -4.49 116.55 117.29 3kyp n ASP 92 Ca 0.09 0.00 -0.43 0.00 -0.50 0.00 0.00 54.79 53.96 3kyp n ASP 92 Cb 0.52 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.50 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 -1.73 4.63 -3.37 2.12 5.41 -1.13 -4.97 119.36 120.31 3kyp n ILE 93 Ca 0.00 -4.87 0.04 0.00 1.00 0.00 0.00 62.75 58.92 3kyp n ILE 93 Cb 0.00 -2.29 -0.01 0.00 -0.71 0.00 0.00 39.64 36.63 3kyp n ILE 93 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3kyp n VAL 94 N 2.82 0.00 -4.02 1.39 0.24 -1.26 -4.21 118.33 113.29 3kyp n VAL 94 Ca 0.35 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.30 3kyp n VAL 94 Cb 0.36 -0.10 -0.12 0.00 -1.47 0.00 0.00 33.84 32.50 3kyp n VAL 94 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3kyp s PRO 95 N -0.50 3.68 0.22 7.34 0.04 -1.16 -4.79 135.00 139.84 3kyp s PRO 95 Ca 0.00 -0.48 -0.08 0.00 0.04 0.00 0.00 61.00 60.47 3kyp s PRO 95 Cb 0.00 -3.14 0.34 0.00 0.04 0.00 0.00 34.50 31.74 3kyp s PRO 95 CO 0.00 0.02 1.29 0.39 0.04 0.00 0.00 177.00 178.74 3kyp n GLU 96 N 4.24 -0.10 -0.23 4.56 4.71 -1.26 0.78 120.64 133.34 3kyp n GLU 96 Ca -0.17 1.29 0.22 0.00 -0.01 0.00 0.00 57.16 58.49 3kyp n GLU 96 Cb 0.52 -1.92 0.58 0.00 -1.01 0.00 0.00 31.44 29.61 3kyp n GLU 96 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 3kyp h ASP 97 N 0.00 0.28 0.00 1.62 3.45 -1.98 -1.10 116.42 118.69 3kyp h ASP 97 Ca 0.37 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.86 3kyp h ASP 97 Cb 0.58 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.33 3kyp h ASP 97 CO -0.84 0.11 0.00 0.00 -1.57 0.00 0.00 179.24 176.93 3kyp n ILE 98 N -4.45 0.15 -2.60 0.35 0.13 0.23 -4.29 119.36 108.89 3kyp n ILE 98 Ca 0.19 0.00 -0.41 0.00 -1.10 0.00 0.00 62.75 61.43 3kyp n ILE 98 Cb 0.79 -0.41 0.01 0.00 -0.84 0.00 0.00 39.64 39.19 3kyp n ILE 98 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 3kyp n ASP 99 N 0.37 7.20 -0.75 9.51 8.00 -0.42 -3.99 116.55 136.47 3kyp n ASP 99 Ca 0.00 -3.53 0.10 0.00 0.71 0.00 0.00 54.79 52.07 3kyp n ASP 99 Cb 0.17 -1.23 0.07 0.00 -0.02 0.00 0.00 41.12 40.11 3kyp n ASP 99 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3kyp n ILE 100 N 0.61 0.00 0.37 0.53 -5.35 -1.26 -3.79 119.36 110.47 3kyp n ILE 100 Ca 0.45 -0.46 0.10 0.00 -0.27 0.00 0.00 62.75 62.58 3kyp n ILE 100 Cb 0.28 1.39 0.44 0.00 -1.74 0.00 0.00 39.64 40.00 3kyp n ILE 100 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3kyp n LEU 101 N 0.91 0.47 0.00 7.28 4.77 -1.26 -0.90 117.00 128.28 3kyp n LEU 101 Ca 0.11 0.63 0.12 0.00 -0.03 0.00 0.00 56.01 56.84 3kyp n LEU 101 Cb 0.50 -0.59 0.64 0.00 -2.33 0.00 0.00 43.42 41.64 3kyp n LEU 101 CO 0.16 -0.53 0.89 0.59 -1.33 0.00 0.00 177.39 177.16 3kyp n ASN 102 N -2.04 0.00 -0.03 -1.43 5.03 -1.25 -2.08 115.26 113.46 3kyp n ASN 102 Ca 0.02 -0.35 0.03 0.00 0.87 0.00 0.00 54.58 55.16 3kyp n ASN 102 Cb 0.18 -0.16 0.05 0.00 -1.02 0.00 0.00 39.78 38.83 3kyp n ASN 102 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3kyp n HIS 103 N -1.16 0.00 -2.72 3.10 8.25 -0.08 -4.67 115.22 117.94 3kyp n HIS 103 Ca 0.14 -0.67 -0.42 0.00 -0.26 0.00 0.00 57.72 56.51 3kyp n HIS 103 Cb 0.14 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.13 3kyp n HIS 103 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3kyp s LEU 104 N -1.64 3.79 -0.07 2.41 2.96 -0.88 -1.48 118.68 123.75 3kyp s LEU 104 Ca 0.11 -0.34 -0.21 0.00 -0.22 0.00 0.00 54.13 53.47 3kyp s LEU 104 Cb 0.10 -2.81 -0.30 0.00 0.50 0.00 0.00 46.19 43.69 3kyp s LEU 104 CO 0.01 -1.45 0.78 0.58 -1.32 0.00 0.00 176.35 174.95 3kyp h VAL 105 N 6.05 1.39 -3.57 1.68 2.07 -1.60 -3.42 116.25 118.85 3kyp h VAL 105 Ca -0.27 -2.48 -0.52 0.00 0.82 0.00 0.00 66.70 64.26 3kyp h VAL 105 Cb 1.06 3.06 -0.33 0.00 -1.52 0.00 0.00 31.29 33.57 3kyp h VAL 105 CO 1.17 0.69 -0.82 -0.75 0.02 0.00 0.00 177.57 177.88 3kyp s LYS 106 N -2.42 1.67 -0.20 1.57 2.20 -1.06 -4.57 119.74 116.94 3kyp s LYS 106 Ca -0.16 -0.46 -0.00 0.00 -0.36 0.00 0.00 55.97 54.99 3kyp s LYS 106 Cb 0.02 -1.40 0.05 0.00 -1.51 0.00 0.00 37.83 34.98 3kyp s LYS 106 CO 0.80 0.09 -0.05 -1.17 -0.36 0.00 0.00 175.35 174.66 3kyp s LEU 107 N 0.46 1.97 0.20 5.43 0.20 -1.26 -1.31 118.68 124.37 3kyp s LEU 107 Ca -0.11 -0.88 0.11 0.00 0.69 0.00 0.00 54.13 53.94 3kyp s LEU 107 Cb -0.14 -1.00 -0.04 0.00 -0.43 0.00 0.00 46.19 44.57 3kyp s LEU 107 CO 0.03 -0.21 -0.21 -0.62 -0.29 0.00 0.00 176.35 175.05 3kyp s ASP 108 N 1.55 3.58 -0.02 3.68 -1.08 -0.90 -5.01 116.67 118.47 3kyp s ASP 108 Ca -0.02 -0.85 0.00 0.00 -0.52 0.00 0.00 52.55 51.16 3kyp s ASP 108 Cb -0.17 -0.33 0.02 0.00 -1.46 0.00 0.00 42.92 40.98 3kyp s ASP 108 CO -0.07 0.11 0.01 -0.22 0.52 0.00 0.00 175.17 175.51 3kyp s LEU 109 N -2.82 1.43 -0.24 -1.34 2.96 -1.26 -1.24 118.68 116.16 3kyp s LEU 109 Ca 0.23 0.00 -0.02 0.00 -0.22 0.00 0.00 54.13 54.12 3kyp s LEU 109 Cb -0.08 -0.11 0.02 0.00 0.50 0.00 0.00 46.19 46.53 3kyp s LEU 109 CO 0.11 -0.07 -0.07 -0.54 -1.32 0.00 0.00 176.35 174.47 3kyp s LYS 110 N 0.67 2.92 -0.10 1.98 3.01 -0.48 -4.96 119.74 122.78 3kyp s LYS 110 Ca -0.06 -0.92 0.14 0.00 -1.01 0.00 0.00 55.97 54.12 3kyp s LYS 110 Cb -0.09 -2.96 0.22 0.00 -1.01 0.00 0.00 37.83 33.99 3kyp s LYS 110 CO -0.02 -0.36 1.11 -0.25 0.51 0.00 0.00 175.35 176.34 3kyp n ASP 111 N 4.68 1.95 0.06 2.83 8.00 -1.26 -2.59 116.55 130.22 3kyp n ASP 111 Ca -0.17 -2.81 -0.13 0.00 0.71 0.00 0.00 54.79 52.39 3kyp n ASP 111 Cb 0.48 -0.35 -0.08 0.00 -0.02 0.00 0.00 41.12 41.14 3kyp n ASP 111 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 3kyp h ASN 112 N 0.00 -0.10 0.00 -2.24 2.35 -1.93 -2.00 115.58 111.66 3kyp h ASN 112 Ca 0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 3kyp h ASN 112 Cb 1.02 0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.41 3kyp h ASN 112 CO 0.00 0.16 0.00 1.15 -1.65 0.00 0.00 177.43 177.09 3kyp n MET 113 N -5.03 0.53 -0.21 0.81 0.00 -1.26 -4.26 117.12 107.70 3kyp n MET 113 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.62 3kyp n MET 113 Cb 0.17 -1.12 0.00 0.00 0.00 0.00 0.00 33.22 32.27 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 -0.16 2.37 -4.60 3.17 9.92 -0.75 -4.12 116.55 122.39 3kyp n ASP 114 Ca 0.00 -1.57 -0.41 0.00 -0.53 0.00 0.00 54.79 52.28 3kyp n ASP 114 Cb 0.06 -0.49 -0.06 0.00 -0.64 0.00 0.00 41.12 39.98 3kyp n ASP 114 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 3kyp s ASN 115 N 1.88 6.51 -1.86 -2.24 0.02 -1.26 -2.92 114.94 115.07 3kyp s ASN 115 Ca 0.00 0.47 0.00 0.00 -1.02 0.00 0.00 52.86 52.31 3kyp s ASN 115 Cb 0.00 -2.33 0.00 0.00 0.02 0.00 0.00 41.25 38.94 3kyp s ASN 115 CO 0.00 -0.47 0.00 -0.46 0.02 0.00 0.00 177.10 176.19 3kyp n ASN 116 N 5.87 -5.21 0.00 -1.22 6.94 -1.26 -4.62 115.26 115.75 3kyp n ASN 116 Ca -0.01 0.43 0.00 0.00 -0.02 0.00 0.00 54.58 54.99 3kyp n ASN 116 Cb 0.49 -4.26 0.00 0.00 -2.36 0.00 0.00 39.78 33.65 3kyp n ASN 116 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kyp n GLY 117 N -0.69 -1.17 0.00 4.83 0.00 -1.15 -4.75 105.19 102.27 3kyp n GLY 117 Ca -0.18 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3kyp n GLY 117 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kyp n SER 118 N -1.79 0.00 -4.55 1.61 2.88 -1.26 -4.46 113.62 106.06 3kyp n SER 118 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 3kyp n SER 118 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 3kyp n SER 118 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3kyp s TYR 119 N 0.00 2.48 -0.30 0.66 2.02 -1.26 -3.72 117.35 117.22 3kyp s TYR 119 Ca 0.00 -0.28 -0.01 0.00 -0.37 0.00 0.00 57.07 56.40 3kyp s TYR 119 Cb 0.00 -1.09 0.12 0.00 -0.40 0.00 0.00 41.96 40.59 3kyp s TYR 119 CO 0.00 0.67 0.23 0.21 -1.57 0.00 0.00 175.55 175.08 3kyp s LYS 120 N -3.54 0.32 -0.20 -0.62 2.20 -1.07 -1.71 119.74 115.12 3kyp s LYS 120 Ca 0.30 -0.49 -0.10 0.00 -0.36 0.00 0.00 55.97 55.32 3kyp s LYS 120 Cb -0.06 -0.93 -0.05 0.00 -1.51 0.00 0.00 37.83 35.28 3kyp s LYS 120 CO 0.17 -1.06 0.14 0.42 -0.36 0.00 0.00 175.35 174.66 3kyp s ILE 121 N 2.03 5.40 -0.04 5.43 1.01 -1.11 -1.38 121.20 132.54 3kyp s ILE 121 Ca 0.11 0.21 0.06 0.00 0.00 0.00 0.00 60.65 61.03 3kyp s ILE 121 Cb -0.16 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 3kyp s ILE 121 CO -0.28 0.42 -0.22 -0.89 0.00 0.00 0.00 174.94 173.97 3kyp s THR 122 N 0.46 1.81 -0.20 2.92 2.01 -0.37 -2.43 115.64 119.85 3kyp s THR 122 Ca 0.08 -0.94 -0.05 0.00 0.31 0.00 0.00 61.69 61.10 3kyp s THR 122 Cb -0.11 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 3kyp s THR 122 CO -0.01 0.51 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.06 3kyp s PHE 123 N -0.18 3.03 -0.29 4.92 0.40 0.12 -2.12 117.98 123.85 3kyp s PHE 123 Ca -0.01 -0.49 0.00 0.00 -0.60 0.00 0.00 56.93 55.83 3kyp s PHE 123 Cb -0.12 -2.07 0.05 0.00 0.51 0.00 0.00 43.02 41.40 3kyp s PHE 123 CO 0.02 -0.25 -0.04 0.42 0.70 0.00 0.00 175.22 176.08 3kyp s ILE 124 N 0.96 2.67 0.49 0.64 1.01 -0.43 0.14 121.20 126.69 3kyp s ILE 124 Ca 0.01 -1.49 -0.01 0.00 0.00 0.00 0.00 60.65 59.16 3kyp s ILE 124 Cb -0.14 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 39.78 3kyp s ILE 124 CO 0.02 -0.08 0.73 -0.36 0.00 0.00 0.00 174.94 175.25 3kyp s PHE 125 N 1.19 3.19 0.71 3.97 0.40 -0.97 -1.59 117.98 124.88 3kyp s PHE 125 Ca -0.06 0.30 -0.02 0.00 -0.60 0.00 0.00 56.93 56.55 3kyp s PHE 125 Cb -0.20 -2.46 0.12 0.00 0.51 0.00 0.00 43.02 40.99 3kyp s PHE 125 CO -0.03 -0.52 0.99 0.20 0.70 0.00 0.00 175.22 176.56 3kyp s GLY 126 N -4.26 1.77 -0.78 4.36 0.00 -0.55 -4.79 107.32 103.06 3kyp s GLY 126 Ca 0.51 -1.62 -0.08 0.00 0.00 0.00 0.00 44.72 43.53 3kyp s GLY 126 CO 0.40 -1.08 1.95 1.18 0.00 0.00 0.00 173.10 175.54 3kyp n GLU 127 N -2.83 1.73 -3.91 2.90 1.02 -1.26 -4.72 120.64 113.57 3kyp n GLU 127 Ca 0.14 -1.40 -0.30 0.00 -0.02 0.00 0.00 57.16 55.58 3kyp n GLU 127 Cb 0.60 -2.47 -0.16 0.00 -0.02 0.00 0.00 31.44 29.40 3kyp n GLU 127 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3kyp s LYS 128 N 3.87 1.47 -0.20 3.49 -0.14 -1.26 -5.11 119.74 121.86 3kyp s LYS 128 Ca 0.38 -0.99 -0.09 0.00 -1.36 0.00 0.00 55.97 53.92 3kyp s LYS 128 Cb 0.10 -2.54 -0.04 0.00 -1.68 0.00 0.00 37.83 33.66 3kyp s LYS 128 CO -0.00 -0.64 0.10 0.00 -0.76 0.00 0.00 175.35 174.04 3kyp s ALA 129 N 1.43 3.48 0.00 5.17 0.00 -1.26 -4.71 121.76 125.87 3kyp s ALA 129 Ca -0.04 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3kyp s ALA 129 Cb -0.19 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 20.87 3kyp s ALA 129 CO -0.08 0.03 0.00 0.36 0.00 0.00 0.00 175.76 176.08 3kyp n LYS 130 N 3.82 0.00 -3.91 0.00 2.85 -1.26 -5.05 118.16 114.61 3kyp n LYS 130 Ca -0.16 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.00 3kyp n LYS 130 Cb 0.52 -0.05 -0.10 0.00 -0.65 0.00 0.00 35.03 34.75 3kyp n LYS 130 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 3kyp s GLU 131 N 0.00 0.49 -0.20 -1.58 -1.05 -1.26 -3.48 118.70 111.63 3kyp s GLU 131 Ca 0.00 -0.56 -0.09 0.00 -0.15 0.00 0.00 54.97 54.17 3kyp s GLU 131 Cb 0.00 0.20 -0.05 0.00 -0.44 0.00 0.00 34.13 33.84 3kyp s GLU 131 CO 0.00 -0.12 0.12 0.12 0.95 0.00 0.00 175.26 176.33 3kyp s PHE 132 N -1.82 3.37 0.00 4.83 5.36 -1.22 -4.77 117.98 123.73 3kyp s PHE 132 Ca -0.12 0.27 0.00 0.00 -0.96 0.00 0.00 56.93 56.13 3kyp s PHE 132 Cb -0.06 -2.14 0.00 0.00 -0.34 0.00 0.00 43.02 40.48 3kyp s PHE 132 CO -0.01 0.26 0.00 -1.33 -1.46 0.00 0.00 175.22 172.68 3kyp n MET 133 N 3.53 0.00 0.15 10.12 2.81 -1.26 -2.79 117.12 129.68 3kyp n MET 133 Ca -0.16 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.60 3kyp n MET 133 Cb 0.52 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.95 3kyp n MET 133 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3kyp h GLU 134 N 0.00 -0.40 -5.93 0.03 4.57 -1.94 -3.44 114.58 107.48 3kyp h GLU 134 Ca 0.00 0.03 -0.62 0.00 -1.18 0.00 0.00 59.36 57.59 3kyp h GLU 134 Cb 0.00 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.63 3kyp h GLU 134 CO 0.00 -0.07 -0.36 -1.25 -1.18 0.00 0.00 179.01 176.15 3kyp s PRO 135 N -4.35 3.61 0.07 0.92 0.04 -1.26 -2.30 135.00 131.74 3kyp s PRO 135 Ca -0.14 -0.03 0.04 0.00 0.04 0.00 0.00 61.00 60.92 3kyp s PRO 135 Cb 0.02 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.44 3kyp s PRO 135 CO 0.51 0.64 0.01 -0.51 0.04 0.00 0.00 177.00 177.69 3kyp s LEU 136 N -1.73 3.51 -0.09 -3.56 1.02 0.37 -4.93 118.68 113.26 3kyp s LEU 136 Ca 0.28 -0.13 -0.14 0.00 0.02 0.00 0.00 54.13 54.15 3kyp s LEU 136 Cb -0.13 -2.19 0.03 0.00 0.02 0.00 0.00 46.19 43.91 3kyp s LEU 136 CO 0.16 0.19 0.36 0.28 0.02 0.00 0.00 176.35 177.37 3kyp s THR 137 N -1.28 0.02 -0.21 5.49 -1.32 -1.26 0.11 115.64 117.19 3kyp s THR 137 Ca 0.25 -0.16 -0.10 0.00 -1.21 0.00 0.00 61.69 60.46 3kyp s THR 137 Cb -0.12 -0.57 0.08 0.00 -1.51 0.00 0.00 72.50 70.38 3kyp s THR 137 CO 0.17 -0.09 0.50 -0.22 -2.21 0.00 0.00 174.62 172.77 3kyp s LEU 138 N -0.38 -0.51 -0.13 9.08 0.20 -1.02 -1.38 118.68 124.54 3kyp s LEU 138 Ca -0.05 1.12 -0.03 0.00 0.69 0.00 0.00 54.13 55.85 3kyp s LEU 138 Cb -0.03 1.67 -0.03 0.00 -0.43 0.00 0.00 46.19 47.36 3kyp s LEU 138 CO 0.02 -0.22 -0.01 -0.69 -0.29 0.00 0.00 176.35 175.17 3kyp s VAL 139 N 1.88 4.21 -0.17 1.68 1.01 -1.14 -2.73 120.40 125.14 3kyp s VAL 139 Ca -0.07 -0.26 0.16 0.00 0.00 0.00 0.00 61.98 61.81 3kyp s VAL 139 Cb -0.09 -2.82 0.39 0.00 0.00 0.00 0.00 36.38 33.86 3kyp s VAL 139 CO -0.15 0.54 1.25 0.29 0.00 0.00 0.00 175.10 177.03 3kyp n LYS 140 N 2.93 1.74 -1.52 2.72 5.02 -0.69 -2.27 118.16 126.08 3kyp n LYS 140 Ca -0.18 -2.83 -0.51 0.00 -2.02 0.00 0.00 58.31 52.76 3kyp n LYS 140 Cb 0.53 -1.63 -0.05 0.00 -0.02 0.00 0.00 35.03 33.86 3kyp n LYS 140 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 3kyp n HIS 141 N -1.16 0.73 -3.86 2.13 1.44 -1.25 -4.56 115.22 108.69 3kyp n HIS 141 Ca 0.20 0.85 -0.22 0.00 -2.01 0.00 0.00 57.72 56.54 3kyp n HIS 141 Cb 0.74 -2.16 -0.04 0.00 0.12 0.00 0.00 29.99 28.65 3kyp n HIS 141 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 3kyp s VAL 142 N -0.31 3.31 0.00 0.61 -7.23 -1.26 -4.03 120.40 111.48 3kyp s VAL 142 Ca 0.76 -1.45 0.00 0.00 -1.81 0.00 0.00 61.98 59.49 3kyp s VAL 142 Cb -0.99 -3.12 0.00 0.00 0.56 0.00 0.00 36.38 32.84 3kyp s VAL 142 CO 0.54 -0.15 0.00 0.41 -0.31 0.00 0.00 175.10 175.59 3kyp n THR 143 N -1.34 0.00 0.00 5.32 -1.04 -1.26 -4.99 114.28 110.97 3kyp n THR 143 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 3kyp n THR 143 Cb 0.60 0.06 0.00 0.00 -1.82 0.00 0.00 70.33 69.18 3kyp n THR 143 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3kyp n LYS 150 N 0.00 -0.06 -0.03 -2.82 0.00 -1.26 -5.26 118.16 108.73 3kyp n LYS 150 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 58.31 58.30 3kyp n LYS 150 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.03 3kyp n LYS 150 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 3kyp n VAL 151 N -1.97 0.04 -4.49 3.15 0.24 -1.26 -4.75 118.33 109.29 3kyp n VAL 151 Ca 0.00 -0.01 -0.23 0.00 -2.04 0.00 0.00 64.34 62.06 3kyp n VAL 151 Cb 0.00 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.26 3kyp n VAL 151 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3kyp s VAL 152 N -0.02 1.43 -0.46 3.34 -7.23 -1.26 -3.90 120.40 112.30 3kyp s VAL 152 Ca 0.01 -2.01 0.07 0.00 -1.81 0.00 0.00 61.98 58.24 3kyp s VAL 152 Cb -0.02 -2.81 0.18 0.00 0.56 0.00 0.00 36.38 34.29 3kyp s VAL 152 CO 0.01 -0.03 0.63 -1.61 -0.31 0.00 0.00 175.10 173.79 3kyp s GLU 153 N -3.83 0.94 0.18 4.82 8.01 -0.96 -4.93 118.70 122.93 3kyp s GLU 153 Ca 0.35 -0.89 0.08 0.00 0.01 0.00 0.00 54.97 54.53 3kyp s GLU 153 Cb 0.09 -0.18 -0.04 0.00 -4.31 0.00 0.00 34.13 29.68 3kyp s GLU 153 CO 0.16 -1.28 -0.04 0.00 0.01 0.00 0.00 175.26 174.11 3kyp s THR 155 N -1.76 2.39 -0.44 0.00 2.01 -0.48 -4.98 115.64 112.39 3kyp s THR 155 Ca 0.27 0.21 -0.15 0.00 0.31 0.00 0.00 61.69 62.32 3kyp s THR 155 Cb -0.09 -2.88 0.04 0.00 0.01 0.00 0.00 72.50 69.59 3kyp s THR 155 CO 0.17 -0.09 0.34 -0.60 -0.69 0.00 0.00 174.62 173.75 3kyp s ARG 156 N -3.73 2.97 0.32 4.92 3.52 -1.26 -4.78 118.95 120.92 3kyp s ARG 156 Ca 0.76 -1.16 -0.27 0.00 -0.13 0.00 0.00 55.73 54.93 3kyp s ARG 156 Cb -0.30 -4.04 -0.09 0.00 -1.56 0.00 0.00 34.95 28.96 3kyp s ARG 156 CO 0.42 -0.87 1.03 0.42 -0.81 0.00 0.00 175.30 175.49 3kyp s ILE 157 N 1.66 3.77 -0.34 4.11 1.01 -1.26 -4.91 121.20 125.24 3kyp s ILE 157 Ca 0.05 1.58 0.06 0.00 0.00 0.00 0.00 60.65 62.34 3kyp s ILE 157 Cb -0.21 -3.93 0.46 0.00 0.01 0.00 0.00 42.46 38.79 3kyp s ILE 157 CO 0.09 0.23 1.34 0.29 0.00 0.00 0.00 174.94 176.89 3kyp n LYS 158 N 0.71 3.13 -1.56 2.79 5.02 -1.12 -4.89 118.16 122.25 3kyp n LYS 158 Ca 0.01 -3.87 -0.23 0.00 -2.02 0.00 0.00 58.31 52.20 3kyp n LYS 158 Cb 0.48 -2.18 -0.05 0.00 -0.02 0.00 0.00 35.03 33.25 3kyp n LYS 158 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 3kyp n TRP 159 N -0.82 1.28 -4.34 2.13 4.27 -1.26 -3.43 117.44 115.27 3kyp n TRP 159 Ca 0.44 0.04 -0.34 0.00 -3.89 0.00 0.00 57.50 53.74 3kyp n TRP 159 Cb 0.91 -2.63 -0.09 0.00 -1.36 0.00 0.00 31.31 28.14 3kyp n TRP 159 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 3kyp s LYS 160 N 8.65 2.96 0.00 -2.67 2.47 -1.23 -4.68 119.74 125.24 3kyp s LYS 160 Ca 0.95 -0.44 0.00 0.00 -1.56 0.00 0.00 55.97 54.92 3kyp s LYS 160 Cb -0.15 -2.78 0.00 0.00 -1.46 0.00 0.00 37.83 33.44 3kyp s LYS 160 CO 0.16 0.69 0.00 0.39 0.16 0.00 0.00 175.35 176.75 3kyp n GLU 161 N 1.96 0.00 -0.95 4.03 4.71 -1.26 -4.61 120.64 124.51 3kyp n GLU 161 Ca -0.18 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.64 3kyp n GLU 161 Cb 0.53 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.92 3kyp n GLU 161 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kyp n GLY 162 N 0.00 2.74 0.00 0.62 0.00 -1.26 -4.90 105.19 102.39 3kyp n GLY 162 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 5.87 2.08 0.00 1.61 5.02 -1.26 -4.72 118.16 126.76 3kyp n LYS 163 Ca 0.46 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 3kyp n LYS 163 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.30 3kyp n LYS 163 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3kyp n ASN 164 N 0.00 0.00 -0.16 4.39 2.04 -1.26 -4.94 115.26 115.34 3kyp n ASN 164 Ca 0.00 0.00 0.12 0.00 -0.44 0.00 0.00 54.58 54.26 3kyp n ASN 164 Cb 0.00 0.00 0.65 0.00 -2.53 0.00 0.00 39.78 37.90 3kyp n ASN 164 CO 0.00 0.00 0.00 -0.81 -0.44 0.00 0.00 177.26 176.01 3kyp n PRO 165 N 0.00 1.21 -3.92 -0.53 -0.06 -1.26 -4.35 135.00 126.09 3kyp n PRO 165 Ca 0.00 -0.32 -0.32 0.00 -0.06 0.00 0.00 63.50 62.80 3kyp n PRO 165 Cb 0.00 -1.40 -0.13 0.00 -0.06 0.00 0.00 33.50 31.90 3kyp n PRO 165 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 175.50 176.40 3kyp s ILE 166 N -1.97 2.71 0.15 0.52 -0.00 -1.26 -4.95 121.20 116.40 3kyp s ILE 166 Ca 0.37 -2.78 0.00 0.00 -0.00 0.00 0.00 60.65 58.24 3kyp s ILE 166 Cb 0.18 -2.90 0.00 0.00 -0.00 0.00 0.00 42.46 39.74 3kyp s ILE 166 CO 0.29 -0.73 0.00 0.00 -0.00 0.00 0.00 174.94 174.50 3kyp n ALA 167 N 3.74 0.00 -1.34 2.27 0.00 -1.26 -4.92 120.51 119.01 3kyp n ALA 167 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 3kyp n ALA 167 Cb 0.37 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.99 3kyp n ALA 167 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 3kyp s TRP 183 N -1.50 2.11 -0.25 0.00 1.48 -1.26 -5.15 118.94 114.38 3kyp s TRP 183 Ca 0.00 0.86 0.16 0.00 -1.06 0.00 0.00 56.10 56.06 3kyp s TRP 183 Cb 0.00 -3.36 0.48 0.00 -1.16 0.00 0.00 33.47 29.42 3kyp s TRP 183 CO 0.00 -2.78 1.15 -1.13 -4.06 0.00 0.00 176.95 170.14 3kyp n SER 184 N -4.06 2.85 0.00 -2.66 3.41 -1.26 -2.97 113.62 108.93 3kyp n SER 184 Ca 0.07 -2.84 0.00 0.00 -0.26 0.00 0.00 58.87 55.84 3kyp n SER 184 Cb 0.58 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 3kyp n SER 184 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kyp n ILE 185 N -0.59 0.00 0.00 -1.33 3.06 -1.26 -4.27 119.36 114.98 3kyp n ILE 185 Ca 0.22 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.47 3kyp n ILE 185 Cb 0.89 0.00 0.00 0.00 0.54 0.00 0.00 39.64 41.07 3kyp n ILE 185 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 3kyp n PHE 186 N 0.00 0.00 1.37 9.51 3.72 -1.26 -4.19 117.46 126.61 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 -0.29 0.67 0.00 -0.94 0.00 0.00 39.48 38.91 3kyp n PHE 186 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3kyp n GLU 187 N -0.59 0.62 0.05 -1.08 1.02 -1.26 -0.25 120.64 119.15 3kyp n GLU 187 Ca 0.00 0.02 0.09 0.00 -0.02 0.00 0.00 57.16 57.25 3kyp n GLU 187 Cb 0.00 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 29.85 3kyp n GLU 187 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 3kyp n TRP 188 N -1.08 0.64 0.48 -0.32 -0.00 -1.26 -4.03 117.44 111.87 3kyp n TRP 188 Ca 0.16 0.19 0.11 0.00 -0.00 0.00 0.00 57.50 57.96 3kyp n TRP 188 Cb 0.11 -0.84 -0.02 0.00 -0.00 0.00 0.00 31.31 30.56 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 -2.59 0.27 -4.04 5.87 3.72 0.65 -4.95 117.46 116.40 3kyp n PHE 189 Ca -0.04 0.08 -0.21 0.00 -0.05 0.00 0.00 57.45 57.23 3kyp n PHE 189 Cb 0.62 -0.46 -0.02 0.00 -0.94 0.00 0.00 39.48 38.69 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 -2.03 0.00 0.00 4.37 -2.24 -0.86 -4.65 114.28 108.87 3kyp n THR 190 Ca 0.01 -1.69 0.00 0.00 -2.27 0.00 0.00 64.05 60.10 3kyp n THR 190 Cb 0.46 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.30 0.00 -3.63 4.28 5.66 -1.26 -4.87 114.28 113.16 3kyp n THR 191 Ca -0.06 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.79 3kyp n THR 191 Cb 0.47 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.18 3kyp n THR 191 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3kyp s ASP 192 N -2.32 -0.53 -0.04 1.09 1.01 -1.26 -5.00 116.67 109.62 3kyp s ASP 192 Ca 0.00 0.74 -0.03 0.00 0.71 0.00 0.00 52.55 53.97 3kyp s ASP 192 Cb 0.00 0.72 0.01 0.00 1.01 0.00 0.00 42.92 44.66 3kyp s ASP 192 CO 0.00 -0.42 0.06 -0.62 0.21 0.00 0.00 175.17 174.40 3kyp n GLU 193 N 1.67 -2.32 -4.20 8.23 1.02 -1.26 -5.01 120.64 118.76 3kyp n GLU 193 Ca -0.18 1.84 -0.27 0.00 -0.02 0.00 0.00 57.16 58.53 3kyp n GLU 193 Cb 0.56 -2.28 -0.08 0.00 -0.02 0.00 0.00 31.44 29.62 3kyp n GLU 193 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kyp s LEU 194 N -0.24 3.30 -0.38 -4.62 1.43 -1.26 -5.08 118.68 111.83 3kyp s LEU 194 Ca -0.07 -0.38 -0.29 0.00 -1.03 0.00 0.00 54.13 52.36 3kyp s LEU 194 Cb 0.00 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 44.27 3kyp s LEU 194 CO 0.19 0.10 1.14 -1.58 0.23 0.00 0.00 176.35 176.43 3kyp s GLN 195 N -2.82 3.90 3.84 1.70 0.74 -1.26 -4.71 119.66 121.05 3kyp s GLN 195 Ca 0.27 0.89 0.00 0.00 0.05 0.00 0.00 55.36 56.57 3kyp s GLN 195 Cb -0.10 -3.83 0.00 0.00 1.10 0.00 0.00 33.01 30.19 3kyp s GLN 195 CO 0.18 -1.14 0.00 -0.25 -0.55 0.00 0.00 175.29 173.53 3kyp n ASP 196 N 7.40 0.00 -1.76 6.67 9.92 -1.26 -4.71 116.55 132.80 3kyp n ASP 196 Ca 0.12 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.36 3kyp n ASP 196 Cb 0.48 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.93 3kyp n ASP 196 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 3kyp n LYS 197 N 0.00 0.00 0.00 -1.24 -0.00 -1.26 -4.41 118.16 111.25 3kyp n LYS 197 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3kyp n LYS 197 Cb 0.00 -0.43 0.00 0.00 -0.00 0.00 0.00 35.03 34.60 3kyp n LYS 197 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 3kyp n PRO 198 N 2.03 0.00 -0.98 -1.58 -0.06 -1.26 -4.78 135.00 128.37 3kyp n PRO 198 Ca 0.07 0.00 0.00 0.00 -0.06 0.00 0.00 63.50 63.51 3kyp n PRO 198 Cb 0.18 0.00 0.00 0.00 -0.06 0.00 0.00 33.50 33.62 3kyp n PRO 198 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 175.50 175.19 3kyp n ASP 199 N 0.00 -2.49 -0.34 3.54 8.00 -1.26 -4.90 116.55 119.10 3kyp n ASP 199 Ca 0.00 0.00 0.16 0.00 0.71 0.00 0.00 54.79 55.66 3kyp n ASP 199 Cb 0.00 -0.80 0.36 0.00 -0.02 0.00 0.00 41.12 40.66 3kyp n ASP 199 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3kyp h VAL 200 N 0.00 0.56 -0.16 2.53 2.07 -1.96 0.69 116.25 119.99 3kyp h VAL 200 Ca 0.00 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 3kyp h VAL 200 Cb 0.11 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 3kyp h VAL 200 CO 0.00 0.11 0.01 1.23 0.02 0.00 0.00 177.57 178.94 3kyp h GLY 201 N 0.58 0.29 1.08 2.17 0.00 -1.98 0.12 103.07 105.34 3kyp h GLY 201 Ca 0.62 -0.20 -0.13 0.00 0.00 0.00 0.00 47.33 47.61 3kyp h GLY 201 CO -0.47 0.19 -0.23 -2.09 0.00 0.00 0.00 176.54 173.94 3kyp h GLU 202 N 0.03 0.94 -0.06 4.80 4.57 -1.47 -2.68 114.58 120.71 3kyp h GLU 202 Ca 0.05 -0.42 0.01 0.00 -1.18 0.00 0.00 59.36 57.82 3kyp h GLU 202 Cb 0.34 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 3kyp h GLU 202 CO 0.01 1.08 -0.01 -0.07 -1.18 0.00 0.00 179.01 178.83 3kyp h LEU 203 N 0.78 -0.05 -1.00 1.64 3.38 0.38 0.57 115.31 121.01 3kyp h LEU 203 Ca 0.10 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.18 3kyp h LEU 203 Cb 0.81 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.52 3kyp h LEU 203 CO 0.07 -0.02 0.63 0.40 0.09 0.00 0.00 178.44 179.62 3kyp h ILE 204 N 0.00 0.99 0.00 1.22 2.04 -0.92 -2.25 117.51 118.58 3kyp h ILE 204 Ca 0.03 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3kyp h ILE 204 Cb 0.04 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 35.95 3kyp h ILE 204 CO -0.06 0.19 -0.10 -0.09 0.00 0.00 0.00 178.15 178.09 3kyp h ARG 205 N 1.07 0.00 0.00 2.37 2.43 -1.07 -3.24 114.38 115.94 3kyp h ARG 205 Ca 0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 3kyp h ARG 205 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3kyp h ARG 205 CO -0.23 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 178.77 3kyp n ARG 206 N -3.48 0.00 -0.07 0.20 1.74 0.19 -4.34 116.66 110.91 3kyp n ARG 206 Ca -0.01 0.85 -0.05 0.00 -0.77 0.00 0.00 57.85 57.87 3kyp n ARG 206 Cb 0.05 -1.38 -0.02 0.00 -1.02 0.00 0.00 32.46 30.10 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 -2.46 0.44 -0.71 5.56 4.71 -1.14 -4.94 120.64 122.09 3kyp n GLU 207 Ca 0.00 0.50 -0.30 0.00 -0.01 0.00 0.00 57.16 57.35 3kyp n GLU 207 Cb 0.00 -1.64 0.26 0.00 -1.01 0.00 0.00 31.44 29.05 3kyp n GLU 207 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 3kyp s ILE 208 N -2.23 1.51 -0.39 -3.67 1.01 -0.86 -3.60 121.20 112.98 3kyp s ILE 208 Ca -0.15 0.00 -0.20 0.00 0.00 0.00 0.00 60.65 60.30 3kyp s ILE 208 Cb 0.02 -2.25 0.03 0.00 0.01 0.00 0.00 42.46 40.27 3kyp s ILE 208 CO 0.22 0.00 0.50 1.87 0.00 0.00 0.00 174.94 177.53 3kyp n TRP 209 N -5.13 -3.08 0.00 3.97 -0.00 -1.22 -4.30 117.44 107.67 3kyp n TRP 209 Ca 0.11 1.28 0.00 0.00 -0.00 0.00 0.00 57.50 58.88 3kyp n TRP 209 Cb 0.59 -3.19 0.00 0.00 -0.00 0.00 0.00 31.31 28.71 3kyp n TRP 209 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 3kyp n HIS 210 N -0.02 0.00 -1.84 5.87 -0.00 -1.26 -4.79 115.22 113.17 3kyp n HIS 210 Ca 0.04 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.80 3kyp n HIS 210 Cb 0.47 0.00 0.08 0.00 -0.00 0.00 0.00 29.99 30.55 3kyp n HIS 210 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3kyp n ASN 211 N 0.00 1.19 -0.20 0.41 3.02 -1.24 -4.92 115.26 113.51 3kyp n ASN 211 Ca 0.00 -2.67 0.11 0.00 -0.03 0.00 0.00 54.58 51.98 3kyp n ASN 211 Cb 0.00 -0.35 0.21 0.00 -0.61 0.00 0.00 39.78 39.03 3kyp n ASN 211 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3kyp n PRO 212 N -0.43 -0.04 0.03 3.52 -0.05 -1.26 0.27 135.00 137.04 3kyp n PRO 212 Ca 0.10 0.87 -0.16 0.00 -0.05 0.00 0.00 63.50 64.26 3kyp n PRO 212 Cb 0.81 -1.42 -0.06 0.00 -0.05 0.00 0.00 33.50 32.78 3kyp n PRO 212 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 175.50 175.38 3kyp h LEU 213 N 0.00 0.75 -0.80 1.53 3.38 -2.00 -3.20 115.31 114.98 3kyp h LEU 213 Ca 0.39 -0.56 0.19 0.00 0.09 0.00 0.00 57.88 57.99 3kyp h LEU 213 Cb 0.86 -0.23 -0.12 0.00 0.09 0.00 0.00 40.66 41.26 3kyp h LEU 213 CO -0.54 1.35 0.19 -1.28 0.09 0.00 0.00 178.44 178.26 3kyp h SER 214 N 0.37 -0.01 0.94 -0.43 0.87 -0.53 0.36 113.55 115.12 3kyp h SER 214 Ca -0.08 0.17 -0.13 0.00 -1.23 0.00 0.00 61.79 60.52 3kyp h SER 214 Cb 1.54 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 63.71 3kyp h SER 214 CO 0.17 -0.09 -0.63 1.88 -0.53 0.00 0.00 176.83 177.63 3kyp h TYR 215 N 0.24 0.00 -0.08 2.24 0.05 -1.61 -2.80 116.97 115.01 3kyp h TYR 215 Ca 0.47 0.00 0.02 0.00 0.05 0.00 0.00 58.73 59.28 3kyp h TYR 215 Cb 0.88 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.61 3kyp h TYR 215 CO -0.27 0.63 0.22 -0.92 -1.05 0.00 0.00 178.16 176.77 3kyp h TYR 216 N 0.00 0.00 0.00 4.88 3.20 -0.91 -3.43 116.97 120.71 3kyp h TYR 216 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3kyp h TYR 216 Cb 1.27 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.54 3kyp h TYR 216 CO 0.00 0.00 0.00 1.47 -1.64 0.00 0.00 178.16 177.99