#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ocy n ALA 16 N 0.00 0.00 0.05 -1.46 0.00 -1.26 -2.79 120.51 115.06 2ocy n ALA 16 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2ocy n ALA 16 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 2ocy n ALA 16 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2ocy h LEU 17 N 0.00 -0.04 -0.64 0.00 -0.00 -2.05 -2.95 115.31 109.63 2ocy h LEU 17 Ca 0.00 -0.03 0.10 0.00 -0.00 0.00 0.00 57.88 57.96 2ocy h LEU 17 Cb 0.00 0.01 -0.11 0.00 -0.00 0.00 0.00 40.66 40.56 2ocy h LEU 17 CO 0.00 0.00 -0.23 -0.24 -0.00 0.00 0.00 178.44 177.97 2ocy n SER 18 N -5.10 -0.38 0.07 0.17 2.88 -1.12 0.16 113.62 110.31 2ocy n SER 18 Ca -0.07 1.11 -0.12 0.00 -1.33 0.00 0.00 58.87 58.45 2ocy n SER 18 Cb 0.06 -0.27 -0.06 0.00 -0.75 0.00 0.00 64.21 63.19 2ocy n SER 18 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2ocy h THR 19 N 0.00 0.78 -0.41 2.46 1.35 -1.81 -0.51 112.91 114.78 2ocy h THR 19 Ca 0.24 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 66.14 2ocy h THR 19 Cb 0.40 0.78 -0.08 0.00 -1.73 0.00 0.00 68.15 67.52 2ocy h THR 19 CO -0.64 0.00 -0.53 -0.61 -0.25 0.00 0.00 175.52 173.50 2ocy h GLN 20 N -0.19 -0.35 -0.53 4.72 5.75 0.16 0.34 115.11 125.02 2ocy h GLN 20 Ca 0.02 0.02 0.11 0.00 -0.15 0.00 0.00 58.65 58.65 2ocy h GLN 20 Cb 0.20 0.08 -0.10 0.00 1.07 0.00 0.00 27.48 28.73 2ocy h GLN 20 CO -0.05 -0.23 -0.15 1.25 -2.65 0.00 0.00 178.83 177.00 2ocy h LEU 21 N -0.36 -0.54 -0.85 -2.39 5.85 -0.82 0.81 115.31 117.01 2ocy h LEU 21 Ca 0.07 0.16 0.17 0.00 0.84 0.00 0.00 57.88 59.12 2ocy h LEU 21 Cb 0.55 0.34 -0.10 0.00 0.37 0.00 0.00 40.66 41.83 2ocy h LEU 21 CO -0.57 -0.19 0.40 0.40 -0.34 0.00 0.00 178.44 178.14 2ocy h ILE 22 N -0.02 0.63 -0.14 4.05 2.04 0.87 -1.62 117.51 123.33 2ocy h ILE 22 Ca 0.25 -0.18 -0.17 0.00 1.00 0.00 0.00 64.86 65.76 2ocy h ILE 22 Cb 0.40 0.07 0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2ocy h ILE 22 CO -0.55 0.09 -0.59 -0.08 0.00 0.00 0.00 178.15 177.02 2ocy h GLU 23 N 0.52 0.64 -0.14 2.37 4.81 0.31 -2.74 114.58 120.36 2ocy h GLU 23 Ca 0.49 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2ocy h GLU 23 Cb 0.78 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.26 2ocy h GLU 23 CO -0.42 1.13 0.00 0.45 -0.73 0.00 0.00 179.01 179.43 2ocy n SER 24 N -4.12 0.14 0.00 1.04 2.88 0.24 -0.65 113.62 113.15 2ocy n SER 24 Ca -0.07 -1.17 0.00 0.00 -1.33 0.00 0.00 58.87 56.30 2ocy n SER 24 Cb 0.65 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 2ocy n SER 24 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2ocy n VAL 25 N -0.33 0.00 -0.08 2.46 0.31 -0.79 -4.23 118.33 115.66 2ocy n VAL 25 Ca 0.00 -0.12 -0.15 0.00 -0.01 0.00 0.00 64.34 64.06 2ocy n VAL 25 Cb 0.03 0.58 -0.11 0.00 -0.91 0.00 0.00 33.84 33.44 2ocy n VAL 25 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2ocy h ASP 26 N 0.00 0.00 -0.76 4.52 3.58 -0.58 -2.92 116.42 120.26 2ocy h ASP 26 Ca 0.00 -0.69 0.02 0.00 0.42 0.00 0.00 57.03 56.77 2ocy h ASP 26 Cb 0.00 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 2ocy h ASP 26 CO 0.00 1.11 0.50 0.11 -2.88 0.00 0.00 179.24 178.07 2ocy h LYS 27 N -1.00 0.97 0.05 0.28 1.57 -1.65 -0.06 116.57 116.73 2ocy h LYS 27 Ca -0.12 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2ocy h LYS 27 Cb 0.99 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 2ocy h LYS 27 CO -0.07 0.64 -0.14 0.37 -0.57 0.00 0.00 179.45 179.68 2ocy h GLN 28 N 1.00 -0.21 -0.99 3.15 4.15 -1.74 -1.40 115.11 119.07 2ocy h GLN 28 Ca 0.29 0.01 0.30 0.00 0.77 0.00 0.00 58.65 60.02 2ocy h GLN 28 Cb -0.07 0.05 -0.15 0.00 0.21 0.00 0.00 27.48 27.52 2ocy h GLN 28 CO -0.08 -0.14 0.53 1.03 -1.93 0.00 0.00 178.83 178.24 2ocy h SER 29 N -0.22 0.47 -0.48 -0.69 0.87 -1.25 0.25 113.55 112.50 2ocy h SER 29 Ca -0.00 0.19 0.05 0.00 -1.23 0.00 0.00 61.79 60.80 2ocy h SER 29 Cb 0.21 0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.27 2ocy h SER 29 CO -0.07 -0.12 0.21 0.45 -0.53 0.00 0.00 176.83 176.77 2ocy h HIS 30 N 0.33 0.37 0.32 2.24 3.86 0.00 -2.75 115.15 119.53 2ocy h HIS 30 Ca 0.70 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.93 2ocy h HIS 30 Cb 1.56 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 29.90 2ocy h HIS 30 CO -0.04 0.16 -0.47 -0.07 0.86 0.00 0.00 177.93 178.37 2ocy h LEU 31 N 0.41 -1.34 -1.28 2.43 3.38 0.42 -0.49 115.31 118.84 2ocy h LEU 31 Ca 0.22 0.12 0.45 0.00 0.09 0.00 0.00 57.88 58.76 2ocy h LEU 31 Cb 0.18 0.46 -0.14 0.00 0.09 0.00 0.00 40.66 41.26 2ocy h LEU 31 CO -0.19 -0.57 0.81 -0.62 0.09 0.00 0.00 178.44 177.96 2ocy n GLU 32 N -5.21 -0.04 0.21 1.13 -0.58 -1.07 -0.36 120.64 114.72 2ocy n GLU 32 Ca -0.10 1.21 -0.08 0.00 -0.42 0.00 0.00 57.16 57.77 2ocy n GLU 32 Cb 0.40 -2.37 -0.04 0.00 -0.57 0.00 0.00 31.44 28.87 2ocy n GLU 32 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2ocy h GLU 33 N 0.00 -0.53 0.49 3.49 4.81 -0.83 -0.59 114.58 121.42 2ocy h GLU 33 Ca 0.84 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 60.09 2ocy h GLU 33 Cb 2.66 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 32.15 2ocy h GLU 33 CO -0.48 -0.35 -0.37 1.96 -0.73 0.00 0.00 179.01 179.04 2ocy h GLN 34 N -0.72 -0.82 -0.65 1.92 4.20 -0.30 -2.46 115.11 116.28 2ocy h GLN 34 Ca -0.06 0.06 0.13 0.00 0.06 0.00 0.00 58.65 58.84 2ocy h GLN 34 Cb 0.42 0.19 -0.12 0.00 0.30 0.00 0.00 27.48 28.26 2ocy h GLN 34 CO 0.09 -0.55 -0.24 1.25 -0.67 0.00 0.00 178.83 178.72 2ocy h LEU 35 N -0.85 -0.85 -1.87 1.46 6.46 -0.82 0.90 115.31 119.74 2ocy h LEU 35 Ca -0.05 0.22 0.31 0.00 -0.12 0.00 0.00 57.88 58.23 2ocy h LEU 35 Cb 0.72 0.49 -0.05 0.00 -0.73 0.00 0.00 40.66 41.08 2ocy h LEU 35 CO 0.01 -0.26 0.77 0.78 -0.62 0.00 0.00 178.44 179.11 2ocy h ASN 36 N -0.07 0.09 0.00 1.25 -0.26 -0.65 0.68 115.58 116.62 2ocy h ASN 36 Ca 0.29 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 56.04 2ocy h ASN 36 Cb 0.53 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.79 2ocy h ASN 36 CO -0.70 0.02 -0.21 0.11 -1.06 0.00 0.00 177.43 175.59 2ocy h LYS 37 N 0.08 0.00 -0.65 0.81 1.57 0.11 -2.93 116.57 115.56 2ocy h LYS 37 Ca 0.54 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.41 2ocy h LYS 37 Cb 1.98 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 34.22 2ocy h LYS 37 CO -0.06 0.12 0.28 0.66 -0.57 0.00 0.00 179.45 179.88 2ocy h SER 38 N -1.00 0.32 0.52 0.86 4.64 -0.41 0.87 113.55 119.36 2ocy h SER 38 Ca -0.01 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2ocy h SER 38 Cb 0.29 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2ocy h SER 38 CO -0.01 0.19 0.00 0.25 -0.87 0.00 0.00 176.83 176.39 2ocy h LEU 39 N 0.49 0.00 0.00 5.97 6.46 0.19 0.23 115.31 128.65 2ocy h LEU 39 Ca 0.32 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 58.05 2ocy h LEU 39 Cb 0.38 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 2ocy h LEU 39 CO -0.29 0.00 -0.41 0.50 -0.62 0.00 0.00 178.44 177.62 2ocy h LYS 40 N 0.00 0.00 0.10 1.25 1.63 0.90 -3.23 116.57 117.22 2ocy h LYS 40 Ca 0.00 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.52 2ocy h LYS 40 Cb 0.26 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 31.91 2ocy h LYS 40 CO 0.00 0.14 -1.19 1.15 -3.45 0.00 0.00 179.45 176.11 2ocy h THR 41 N 0.00 1.38 -0.50 1.00 2.02 0.51 -3.19 112.91 114.14 2ocy h THR 41 Ca -0.01 -2.66 -0.03 0.00 0.77 0.00 0.00 66.41 64.47 2ocy h THR 41 Cb 1.14 2.73 -0.02 0.00 -1.74 0.00 0.00 68.15 70.25 2ocy h THR 41 CO 0.02 0.79 0.17 0.16 0.37 0.00 0.00 175.52 177.03 2ocy h ILE 42 N 0.19 1.19 0.00 3.11 3.07 -1.53 -0.51 117.51 123.03 2ocy h ILE 42 Ca -0.15 -0.64 0.00 0.00 1.55 0.00 0.00 64.86 65.62 2ocy h ILE 42 Cb 1.87 0.63 0.00 0.00 -0.27 0.00 0.00 36.82 39.05 2ocy h ILE 42 CO 0.21 0.24 0.00 0.00 -1.05 0.00 0.00 178.15 177.56 2ocy h ALA 43 N 1.48 1.00 0.14 0.16 0.00 -1.57 -0.33 119.26 120.13 2ocy h ALA 43 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.75 2ocy h ALA 43 Cb 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2ocy h ALA 43 CO -0.01 0.00 -1.69 0.66 0.00 0.00 0.00 179.25 178.21 2ocy h SER 44 N 0.00 0.45 0.97 0.00 4.64 -1.13 -3.33 113.55 115.15 2ocy h SER 44 Ca 0.00 -0.89 0.00 0.00 -0.47 0.00 0.00 61.79 60.43 2ocy h SER 44 Cb 0.18 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2ocy h SER 44 CO 0.00 1.74 0.00 0.00 -0.87 0.00 0.00 176.83 177.70 2ocy n GLN 45 N -3.71 0.13 0.00 4.77 6.02 -0.79 -4.53 117.38 119.28 2ocy n GLN 45 Ca -0.27 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 2ocy n GLN 45 Cb 0.99 -1.70 0.00 0.00 1.02 0.00 0.00 30.24 30.55 2ocy n GLN 45 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2ocy n LYS 46 N -1.94 0.00 -0.19 -1.09 3.00 -0.20 -0.48 118.16 117.26 2ocy n LYS 46 Ca 0.05 0.33 -0.08 0.00 -0.00 0.00 0.00 58.31 58.61 2ocy n LYS 46 Cb 0.30 -0.80 -0.03 0.00 0.00 0.00 0.00 35.03 34.50 2ocy n LYS 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ocy h ALA 47 N -2.14 -0.31 -1.34 3.14 0.00 -1.87 0.48 119.26 117.22 2ocy h ALA 47 Ca 0.00 0.11 0.42 0.00 0.00 0.00 0.00 54.91 55.44 2ocy h ALA 47 Cb 0.00 0.93 -0.12 0.00 0.00 0.00 0.00 17.79 18.60 2ocy h ALA 47 CO 0.00 -0.82 0.88 0.00 0.00 0.00 0.00 179.25 179.32 2ocy h ALA 48 N 0.63 2.80 0.15 0.00 0.00 -1.72 0.59 119.26 121.72 2ocy h ALA 48 Ca 0.18 0.08 -0.36 0.00 0.00 0.00 0.00 54.91 54.81 2ocy h ALA 48 Cb 0.56 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2ocy h ALA 48 CO -0.67 -1.39 -1.89 0.97 0.00 0.00 0.00 179.25 176.27 2ocy h ILE 49 N 0.11 0.76 -1.01 0.00 6.09 0.21 -3.31 117.51 120.35 2ocy h ILE 49 Ca 0.79 -2.41 0.23 0.00 -1.37 0.00 0.00 64.86 62.10 2ocy h ILE 49 Cb 2.54 2.62 -0.11 0.00 0.47 0.00 0.00 36.82 42.35 2ocy h ILE 49 CO -0.34 0.89 0.62 -0.33 -3.07 0.00 0.00 178.15 175.92 2ocy h GLU 50 N 0.09 0.54 -0.85 2.19 5.08 0.44 0.42 114.58 122.50 2ocy h GLU 50 Ca -0.39 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 57.83 2ocy h GLU 50 Cb 2.07 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 31.13 2ocy h GLU 50 CO 0.13 0.36 0.14 0.09 -1.00 0.00 0.00 179.01 178.73 2ocy n ASN 51 N -4.75 3.64 -0.00 1.42 3.02 0.35 -2.78 115.26 116.15 2ocy n ASN 51 Ca 0.25 -2.68 -0.01 0.00 -0.03 0.00 0.00 54.58 52.11 2ocy n ASN 51 Cb 0.74 -0.64 -0.00 0.00 -0.61 0.00 0.00 39.78 39.26 2ocy n ASN 51 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ocy n TYR 52 N 0.07 0.00 -0.05 3.10 9.36 0.14 -4.43 117.16 125.34 2ocy n TYR 52 Ca 0.23 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.34 2ocy n TYR 52 Cb 0.94 -0.04 -0.05 0.00 -0.63 0.00 0.00 39.34 39.56 2ocy n TYR 52 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 2ocy h ASN 53 N 0.00 0.25 -0.18 2.98 2.35 -1.30 0.25 115.58 119.94 2ocy h ASN 53 Ca -0.02 -0.22 0.03 0.00 -0.55 0.00 0.00 56.30 55.54 2ocy h ASN 53 Cb 1.04 -0.07 -0.07 0.00 0.05 0.00 0.00 38.32 39.27 2ocy h ASN 53 CO -0.00 0.41 -0.55 -0.61 -1.65 0.00 0.00 177.43 175.03 2ocy h GLN 54 N 0.09 -0.53 -0.32 0.81 5.75 -1.77 2.05 115.11 121.18 2ocy h GLN 54 Ca 0.05 0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.63 2ocy h GLN 54 Cb 0.25 0.12 -0.08 0.00 1.07 0.00 0.00 27.48 28.85 2ocy h GLN 54 CO -0.00 -0.35 -0.55 1.25 -2.65 0.00 0.00 178.83 176.53 2ocy h LEU 55 N -0.55 -1.80 -0.80 -2.39 5.85 -1.72 0.36 115.31 114.25 2ocy h LEU 55 Ca 0.04 0.23 0.19 0.00 0.84 0.00 0.00 57.88 59.18 2ocy h LEU 55 Cb 0.67 0.73 -0.14 0.00 0.37 0.00 0.00 40.66 42.28 2ocy h LEU 55 CO -0.46 -0.43 0.04 0.50 -0.34 0.00 0.00 178.44 177.75 2ocy h LYS 56 N -0.45 0.11 0.27 1.25 3.64 0.18 0.78 116.57 122.34 2ocy h LYS 56 Ca 0.06 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2ocy h LYS 56 Cb 0.62 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2ocy h LYS 56 CO -0.55 0.07 -0.18 1.49 -2.27 0.00 0.00 179.45 178.02 2ocy h GLU 57 N 0.11 -0.42 0.37 1.90 4.81 0.67 -0.77 114.58 121.26 2ocy h GLU 57 Ca 0.45 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.70 2ocy h GLU 57 Cb 0.83 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 2ocy h GLU 57 CO -0.69 -0.28 -0.33 -0.44 -0.73 0.00 0.00 179.01 176.53 2ocy h ASP 58 N -0.44 -0.89 -0.93 1.04 3.32 0.21 -0.38 116.42 118.35 2ocy h ASP 58 Ca -0.03 0.07 0.29 0.00 0.02 0.00 0.00 57.03 57.38 2ocy h ASP 58 Cb 0.37 0.29 -0.17 0.00 0.22 0.00 0.00 39.33 40.03 2ocy h ASP 58 CO 0.02 -0.45 0.16 0.00 -1.72 0.00 0.00 179.24 177.25 2ocy n TYR 59 N -4.39 0.73 0.16 4.55 9.36 0.25 -0.30 117.16 127.52 2ocy n TYR 59 Ca -0.08 1.11 -0.13 0.00 3.32 0.00 0.00 57.90 62.12 2ocy n TYR 59 Cb 0.31 -1.28 -0.08 0.00 -0.63 0.00 0.00 39.34 37.66 2ocy n TYR 59 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 2ocy h ASN 60 N 0.00 -0.36 -0.52 2.98 2.35 -0.41 -0.60 115.58 119.02 2ocy h ASN 60 Ca 0.63 -0.17 0.10 0.00 -0.55 0.00 0.00 56.30 56.31 2ocy h ASN 60 Cb 1.42 0.09 -0.10 0.00 0.05 0.00 0.00 38.32 39.78 2ocy h ASN 60 CO -0.83 -0.00 -0.22 0.71 -1.65 0.00 0.00 177.43 175.45 2ocy h THR 61 N -0.75 0.34 -0.36 2.81 1.35 0.10 0.22 112.91 116.62 2ocy h THR 61 Ca -0.04 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.89 2ocy h THR 61 Cb 0.50 0.34 -0.07 0.00 -1.73 0.00 0.00 68.15 67.19 2ocy h THR 61 CO 0.07 0.00 -0.11 0.25 -0.25 0.00 0.00 175.52 175.48 2ocy h LEU 62 N -0.10 -0.39 -1.93 3.87 5.85 -0.63 0.12 115.31 122.10 2ocy h LEU 62 Ca 0.24 0.12 0.33 0.00 0.84 0.00 0.00 57.88 59.41 2ocy h LEU 62 Cb 0.47 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 2ocy h LEU 62 CO -0.58 -0.14 0.82 0.50 -0.34 0.00 0.00 178.44 178.70 2ocy h LYS 63 N -0.03 0.04 0.01 1.25 1.63 0.11 -1.97 116.57 117.61 2ocy h LYS 63 Ca 0.18 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.97 2ocy h LYS 63 Cb 0.30 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 2ocy h LYS 63 CO -0.39 0.02 -0.01 0.00 -3.45 0.00 0.00 179.45 175.63 2ocy h ARG 64 N 0.04 -0.02 -1.00 1.90 3.08 -0.03 -2.18 114.38 116.17 2ocy h ARG 64 Ca 0.56 0.00 0.22 0.00 0.07 0.00 0.00 59.98 60.83 2ocy h ARG 64 Cb 2.16 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 32.09 2ocy h ARG 64 CO -0.04 0.61 0.59 0.93 -1.07 0.00 0.00 179.97 181.00 2ocy h GLU 65 N -0.98 0.63 -0.39 0.04 4.39 -0.98 0.35 114.58 117.63 2ocy h GLU 65 Ca -0.00 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.54 2ocy h GLU 65 Cb 0.64 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2ocy h GLU 65 CO 0.00 0.42 -0.22 1.25 -1.16 0.00 0.00 179.01 179.30 2ocy h LEU 66 N 0.65 0.87 -1.28 1.33 6.46 -1.48 0.26 115.31 122.12 2ocy h LEU 66 Ca 0.62 -0.42 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 2ocy h LEU 66 Cb 1.09 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 2ocy h LEU 66 CO -0.44 1.10 0.00 -1.54 -0.62 0.00 0.00 178.44 176.94 2ocy n SER 67 N -4.22 0.52 -0.13 1.25 3.41 0.11 -1.57 113.62 112.99 2ocy n SER 67 Ca -0.02 0.74 -0.27 0.00 -0.26 0.00 0.00 58.87 59.06 2ocy n SER 67 Cb 0.45 -0.81 -0.09 0.00 -0.26 0.00 0.00 64.21 63.50 2ocy n SER 67 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2ocy n ASP 68 N -2.19 1.95 -0.30 4.04 8.00 -0.28 -3.87 116.55 123.89 2ocy n ASP 68 Ca -0.01 0.35 0.19 0.00 0.71 0.00 0.00 54.79 56.03 2ocy n ASP 68 Cb 0.04 -0.82 0.47 0.00 -0.02 0.00 0.00 41.12 40.79 2ocy n ASP 68 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2ocy h ARG 69 N -1.00 0.46 -0.24 -1.24 9.65 -0.19 0.15 114.38 121.98 2ocy h ARG 69 Ca -0.59 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.24 2ocy h ARG 69 Cb 1.51 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.98 2ocy h ARG 69 CO -0.36 0.31 0.05 -0.44 2.80 0.00 0.00 179.97 182.33 2ocy h ASP 70 N 0.48 0.37 -0.57 -3.80 3.32 -1.48 0.16 116.42 114.90 2ocy h ASP 70 Ca 0.55 -0.25 0.05 0.00 0.02 0.00 0.00 57.03 57.40 2ocy h ASP 70 Cb 1.26 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.67 2ocy h ASP 70 CO -0.27 0.53 0.30 -0.78 -1.72 0.00 0.00 179.24 177.29 2ocy h ASP 71 N 0.20 0.43 -0.05 6.45 3.58 -1.16 -1.00 116.42 124.86 2ocy h ASP 71 Ca 0.07 0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.57 2ocy h ASP 71 Cb 0.31 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 2ocy h ASP 71 CO 0.00 0.29 -0.02 -0.33 -2.88 0.00 0.00 179.24 176.30 2ocy h GLU 72 N 0.56 -0.02 -0.75 0.28 5.08 -0.59 -0.46 114.58 118.68 2ocy h GLU 72 Ca 0.25 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.70 2ocy h GLU 72 Cb 0.15 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 2ocy h GLU 72 CO -0.17 -0.01 0.49 0.28 -1.00 0.00 0.00 179.01 178.60 2ocy h VAL 73 N -0.02 0.95 -0.39 3.13 2.07 -0.21 0.19 116.25 121.97 2ocy h VAL 73 Ca 0.03 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 2ocy h VAL 73 Cb 0.06 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2ocy h VAL 73 CO -0.07 0.13 -0.00 0.11 0.02 0.00 0.00 177.57 177.76 2ocy h LYS 74 N 0.69 0.70 -0.96 1.57 1.57 -0.56 -2.32 116.57 117.26 2ocy h LYS 74 Ca 0.34 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2ocy h LYS 74 Cb 0.43 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 2ocy h LYS 74 CO -0.12 0.79 0.62 -0.09 -0.57 0.00 0.00 179.45 180.08 2ocy h ARG 75 N 0.52 1.27 -0.15 3.15 2.43 0.90 -2.60 114.38 119.89 2ocy h ARG 75 Ca 0.11 -0.08 -0.22 0.00 -0.81 0.00 0.00 59.98 58.98 2ocy h ARG 75 Cb 0.48 -0.28 0.01 0.00 -0.42 0.00 0.00 29.97 29.76 2ocy h ARG 75 CO 0.02 0.85 -0.76 -0.07 -1.51 0.00 0.00 179.97 178.50 2ocy h LEU 76 N 1.30 0.93 -0.89 3.80 3.38 -0.70 -2.41 115.31 120.73 2ocy h LEU 76 Ca 0.35 -0.63 0.14 0.00 0.09 0.00 0.00 57.88 57.83 2ocy h LEU 76 Cb -0.13 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 40.25 2ocy h LEU 76 CO -0.07 1.41 0.49 0.03 0.09 0.00 0.00 178.44 180.39 2ocy h ARG 77 N 0.51 0.70 0.12 1.13 3.08 -1.21 0.60 114.38 119.30 2ocy h ARG 77 Ca -0.05 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 2ocy h ARG 77 Cb 1.39 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 2ocy h ARG 77 CO 0.16 0.46 -0.11 1.49 -1.07 0.00 0.00 179.97 180.90 2ocy h GLU 78 N 0.72 -0.22 -1.01 0.04 4.81 -1.29 -1.30 114.58 116.33 2ocy h GLU 78 Ca 0.47 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.91 2ocy h GLU 78 Cb 0.61 0.05 -0.11 0.00 0.63 0.00 0.00 28.75 29.93 2ocy h GLU 78 CO -0.33 -0.14 0.61 -0.44 -0.73 0.00 0.00 179.01 177.98 2ocy h ASP 79 N -0.22 0.78 1.08 1.04 3.32 -0.67 0.29 116.42 122.05 2ocy h ASP 79 Ca -0.01 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2ocy h ASP 79 Cb 0.19 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2ocy h ASP 79 CO -0.01 0.27 0.00 -0.29 -1.72 0.00 0.00 179.24 177.49 2ocy h ILE 80 N 0.76 0.00 0.04 0.35 2.10 0.26 -2.53 117.51 118.49 2ocy h ILE 80 Ca 0.58 -0.37 -0.25 0.00 1.08 0.00 0.00 64.86 65.90 2ocy h ILE 80 Cb 0.92 1.24 -0.02 0.00 -1.09 0.00 0.00 36.82 37.86 2ocy h ILE 80 CO -0.39 0.00 -1.27 0.00 -1.08 0.00 0.00 178.15 175.41 2ocy h ALA 81 N 2.33 0.37 0.46 0.18 0.00 0.78 -3.13 119.26 120.26 2ocy h ALA 81 Ca 0.00 -1.05 -0.02 0.00 0.00 0.00 0.00 54.91 53.84 2ocy h ALA 81 Cb 0.54 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2ocy h ALA 81 CO 0.00 1.25 -0.22 0.87 0.00 0.00 0.00 179.25 181.14 2ocy h LYS 82 N 0.03 -0.60 -0.99 0.00 1.57 -1.16 -2.58 116.57 112.83 2ocy h LYS 82 Ca -0.13 0.04 0.37 0.00 -1.87 0.00 0.00 60.65 59.07 2ocy h LYS 82 Cb 1.89 0.14 -0.18 0.00 0.08 0.00 0.00 32.23 34.16 2ocy h LYS 82 CO 0.14 -0.40 0.38 -1.91 -0.57 0.00 0.00 179.45 177.09 2ocy n GLU 83 N -4.99 -0.07 -0.06 3.15 4.07 -0.98 0.78 120.64 122.55 2ocy n GLU 83 Ca -0.08 1.40 -0.14 0.00 -0.06 0.00 0.00 57.16 58.28 2ocy n GLU 83 Cb 0.25 -2.42 -0.07 0.00 -0.06 0.00 0.00 31.44 29.14 2ocy n GLU 83 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 2ocy h ASN 84 N 0.00 0.60 0.00 4.31 -0.73 -1.55 0.14 115.58 118.36 2ocy h ASN 84 Ca 0.77 -0.55 0.00 0.00 1.87 0.00 0.00 56.30 58.39 2ocy h ASN 84 Cb 1.93 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 40.35 2ocy h ASN 84 CO -0.81 1.03 0.00 -0.62 -0.37 0.00 0.00 177.43 176.66 2ocy n GLU 85 N -4.33 0.42 0.00 6.67 4.71 0.23 -1.54 120.64 126.81 2ocy n GLU 85 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.09 2ocy n GLU 85 Cb 0.50 -1.10 0.00 0.00 -1.01 0.00 0.00 31.44 29.83 2ocy n GLU 85 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2ocy n LEU 86 N -0.60 1.53 0.13 -4.62 4.32 -0.74 -4.28 117.00 112.75 2ocy n LEU 86 Ca 0.02 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 56.07 2ocy n LEU 86 Cb 0.01 0.00 0.53 0.00 -1.62 0.00 0.00 43.42 42.34 2ocy n LEU 86 CO 0.01 0.25 1.10 -0.09 -1.22 0.00 0.00 177.39 177.45 2ocy h ARG 87 N 0.00 0.26 -0.14 3.23 2.43 -0.38 0.79 114.38 120.57 2ocy h ARG 87 Ca 0.00 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 2ocy h ARG 87 Cb 1.00 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2ocy h ARG 87 CO 0.00 0.18 -0.08 0.00 -1.51 0.00 0.00 179.97 178.57 2ocy h THR 88 N 0.27 1.32 -0.63 0.20 1.03 -1.52 -0.02 112.91 113.56 2ocy h THR 88 Ca 0.07 -1.13 -0.07 0.00 -0.01 0.00 0.00 66.41 65.27 2ocy h THR 88 Cb -0.01 1.77 -0.03 0.00 -1.07 0.00 0.00 68.15 68.81 2ocy h THR 88 CO -0.01 0.33 0.13 0.11 -0.01 0.00 0.00 175.52 176.06 2ocy h LYS 89 N -0.04 1.02 0.78 0.00 1.79 -1.50 -0.94 116.57 117.67 2ocy h LYS 89 Ca 0.03 -0.26 -0.03 0.00 -2.18 0.00 0.00 60.65 58.21 2ocy h LYS 89 Cb 0.55 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.07 2ocy h LYS 89 CO 0.02 0.94 -0.46 0.00 -1.08 0.00 0.00 179.45 178.87 2ocy h ALA 90 N 1.04 -1.27 -0.98 3.86 0.00 -0.82 0.11 119.26 121.20 2ocy h ALA 90 Ca 0.19 -0.24 0.29 0.00 0.00 0.00 0.00 54.91 55.15 2ocy h ALA 90 Cb 0.39 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2ocy h ALA 90 CO 0.01 -1.22 0.84 0.93 0.00 0.00 0.00 179.25 179.81 2ocy h GLU 91 N -1.15 0.00 0.29 0.00 5.08 -0.85 -0.26 114.58 117.68 2ocy h GLU 91 Ca -0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2ocy h GLU 91 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2ocy h GLU 91 CO 0.12 0.00 -0.14 1.49 -1.00 0.00 0.00 179.01 179.48 2ocy h GLU 92 N 0.00 -0.37 -0.63 2.33 4.57 0.59 -2.96 114.58 118.10 2ocy h GLU 92 Ca 0.47 0.03 0.10 0.00 -1.18 0.00 0.00 59.36 58.77 2ocy h GLU 92 Cb 2.13 0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 30.73 2ocy h GLU 92 CO -0.00 -0.25 0.24 0.93 -1.18 0.00 0.00 179.01 178.75 2ocy h GLU 93 N -0.75 0.41 -1.29 1.92 5.08 -0.54 0.44 114.58 119.84 2ocy h GLU 93 Ca -0.04 -0.02 0.38 0.00 -1.00 0.00 0.00 59.36 58.67 2ocy h GLU 93 Cb 0.30 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 2ocy h GLU 93 CO 0.06 0.27 0.94 0.00 -1.00 0.00 0.00 179.01 179.29 2ocy h ALA 94 N 1.44 3.22 0.00 3.43 0.00 -1.13 0.20 119.26 126.43 2ocy h ALA 94 Ca 0.32 -0.05 -0.43 0.00 0.00 0.00 0.00 54.91 54.75 2ocy h ALA 94 Cb 0.41 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 2ocy h ALA 94 CO -0.32 -1.61 -2.43 -3.47 0.00 0.00 0.00 179.25 171.43 2ocy n ASP 95 N -4.12 1.96 -0.31 0.00 2.03 0.94 -3.47 116.55 113.58 2ocy n ASP 95 Ca 0.28 0.26 0.20 0.00 0.52 0.00 0.00 54.79 56.05 2ocy n ASP 95 Cb 1.36 -0.76 0.47 0.00 -0.72 0.00 0.00 41.12 41.47 2ocy n ASP 95 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2ocy h LYS 96 N -0.80 0.46 -0.35 -0.67 3.64 0.32 0.99 116.57 120.16 2ocy h LYS 96 Ca -0.65 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.70 2ocy h LYS 96 Cb 1.65 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.37 2ocy h LYS 96 CO -0.34 0.31 0.00 -0.11 -2.27 0.00 0.00 179.45 177.04 2ocy n LEU 97 N -4.63 2.28 -0.18 5.20 0.00 0.65 -3.43 117.00 116.88 2ocy n LEU 97 Ca 0.23 -1.07 0.07 0.00 0.00 0.00 0.00 56.01 55.24 2ocy n LEU 97 Cb 0.77 -0.23 -0.03 0.00 0.00 0.00 0.00 43.42 43.92 2ocy n LEU 97 CO 0.26 0.53 0.13 -3.20 0.00 0.00 0.00 177.39 175.11 2ocy n ASN 98 N 0.73 1.12 -0.08 1.96 2.85 0.33 -4.27 115.26 117.91 2ocy n ASN 98 Ca 0.16 -1.06 -0.12 0.00 -0.11 0.00 0.00 54.58 53.44 2ocy n ASN 98 Cb 0.39 0.69 -0.07 0.00 1.24 0.00 0.00 39.78 42.03 2ocy n ASN 98 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 2ocy h LYS 99 N 0.90 0.00 -0.72 1.20 3.64 -1.35 -3.36 116.57 116.89 2ocy h LYS 99 Ca 0.00 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.59 2ocy h LYS 99 Cb 0.41 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 2ocy h LYS 99 CO 0.00 0.56 0.75 0.93 -2.27 0.00 0.00 179.45 179.41 2ocy h GLU 100 N -1.00 0.00 0.71 1.90 5.08 -1.77 -2.31 114.58 117.19 2ocy h GLU 100 Ca -0.14 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 2ocy h GLU 100 Cb 0.84 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.10 2ocy h GLU 100 CO -0.09 0.00 -0.35 0.28 -1.00 0.00 0.00 179.01 177.85 2ocy h VAL 101 N 0.00 0.28 -0.80 3.13 2.07 -1.74 -2.78 116.25 116.41 2ocy h VAL 101 Ca 0.34 0.00 0.32 0.00 0.82 0.00 0.00 66.70 68.18 2ocy h VAL 101 Cb 1.83 0.28 -0.14 0.00 -1.52 0.00 0.00 31.29 31.74 2ocy h VAL 101 CO -0.00 0.00 0.38 1.21 0.02 0.00 0.00 177.57 179.18 2ocy n GLU 102 N -5.51 -0.05 0.00 1.57 2.13 -0.87 -1.97 120.64 115.95 2ocy n GLU 102 Ca -0.14 1.11 0.00 0.00 0.66 0.00 0.00 57.16 58.79 2ocy n GLU 102 Cb 0.39 -1.97 0.00 0.00 0.27 0.00 0.00 31.44 30.14 2ocy n GLU 102 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2ocy n ASP 103 N -4.84 0.00 0.00 4.31 8.00 -1.15 -3.84 116.55 119.03 2ocy n ASP 103 Ca 0.29 0.29 0.00 0.00 0.71 0.00 0.00 54.79 56.08 2ocy n ASP 103 Cb 0.98 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.87 2ocy n ASP 103 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2ocy n LEU 104 N -1.11 0.00 -0.14 0.64 7.94 -0.83 0.33 117.00 123.82 2ocy n LEU 104 Ca 0.00 0.00 0.28 0.00 -1.11 0.00 0.00 56.01 55.18 2ocy n LEU 104 Cb 0.00 0.00 0.72 0.00 0.53 0.00 0.00 43.42 44.67 2ocy n LEU 104 CO 0.00 0.00 1.25 0.71 -1.11 0.00 0.00 177.39 178.24 2ocy h THR 105 N 0.00 0.45 0.59 1.96 1.35 -1.71 0.05 112.91 115.60 2ocy h THR 105 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.83 2ocy h THR 105 Cb 0.00 0.52 0.01 0.00 -1.73 0.00 0.00 68.15 66.94 2ocy h THR 105 CO 0.00 0.00 -0.28 0.00 -0.25 0.00 0.00 175.52 174.99 2ocy h ALA 106 N 1.46 -0.79 0.39 6.62 0.00 0.53 -0.41 119.26 127.06 2ocy h ALA 106 Ca 0.40 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2ocy h ALA 106 Cb 1.73 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 19.79 2ocy h ALA 106 CO -0.00 -0.84 -0.52 0.77 0.00 0.00 0.00 179.25 178.66 2ocy h SER 107 N -1.00 -1.46 -0.88 0.00 0.02 -1.01 0.87 113.55 110.09 2ocy h SER 107 Ca -0.08 0.13 0.16 0.00 -0.84 0.00 0.00 61.79 61.16 2ocy h SER 107 Cb 0.66 0.50 -0.16 0.00 0.14 0.00 0.00 62.40 63.54 2ocy h SER 107 CO 0.13 -0.64 -0.26 -0.11 -1.14 0.00 0.00 176.83 174.82 2ocy n LEU 108 N -5.54 -0.39 0.07 5.07 7.94 -0.15 0.86 117.00 124.85 2ocy n LEU 108 Ca -0.11 1.52 -0.10 0.00 -1.11 0.00 0.00 56.01 56.22 2ocy n LEU 108 Cb 0.45 -0.43 0.01 0.00 0.53 0.00 0.00 43.42 43.99 2ocy n LEU 108 CO 0.23 -1.43 0.31 -0.26 -1.11 0.00 0.00 177.39 175.12 2ocy h PHE 109 N 0.00 0.46 0.68 1.96 -1.00 0.13 -2.92 116.94 116.25 2ocy h PHE 109 Ca 0.39 -0.22 -0.03 0.00 2.81 0.00 0.00 57.97 60.91 2ocy h PHE 109 Cb 0.61 -0.06 0.01 0.00 3.61 0.00 0.00 35.95 40.11 2ocy h PHE 109 CO -0.71 1.00 -0.33 0.22 -1.61 0.00 0.00 178.31 176.88 2ocy h ASP 110 N 0.21 -0.78 -0.35 2.17 3.58 0.72 -1.70 116.42 120.29 2ocy h ASP 110 Ca -0.04 0.03 0.07 0.00 0.42 0.00 0.00 57.03 57.50 2ocy h ASP 110 Cb 1.39 0.20 -0.09 0.00 1.72 0.00 0.00 39.33 42.56 2ocy h ASP 110 CO 0.13 -0.45 -0.41 -0.33 -2.88 0.00 0.00 179.24 175.30 2ocy h GLU 111 N -1.12 -0.34 0.00 0.28 4.39 -1.18 -1.72 114.58 114.89 2ocy h GLU 111 Ca -0.09 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2ocy h GLU 111 Cb 0.70 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 2ocy h GLU 111 CO 0.15 -0.23 0.00 0.00 -1.16 0.00 0.00 179.01 177.78 2ocy n ALA 112 N -3.03 -0.04 -0.07 3.43 0.00 -1.10 -2.64 120.51 117.06 2ocy n ALA 112 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 2ocy n ALA 112 Cb 0.35 0.25 -0.02 0.00 0.00 0.00 0.00 19.45 20.04 2ocy n ALA 112 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2ocy n ASN 113 N -1.50 -0.18 -0.90 0.00 3.02 -0.64 -1.45 115.26 113.62 2ocy n ASN 113 Ca 0.00 0.61 0.00 0.00 -0.03 0.00 0.00 54.58 55.16 2ocy n ASN 113 Cb 0.00 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 2ocy n ASN 113 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2ocy n ASN 114 N -3.23 0.00 0.00 6.41 4.13 -0.68 -0.48 115.26 121.42 2ocy n ASN 114 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2ocy n ASN 114 Cb 0.04 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.28 2ocy n ASN 114 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2ocy n VAL 116 N 0.46 0.00 -0.17 2.41 0.31 -0.52 0.40 118.33 121.22 2ocy n VAL 116 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 2ocy n VAL 116 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 2ocy n VAL 116 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ocy n ALA 117 N 0.04 -0.18 -0.02 3.52 0.00 0.37 0.39 120.51 124.63 2ocy n ALA 117 Ca 0.00 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.70 2ocy n ALA 117 Cb 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 19.45 19.25 2ocy n ALA 117 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2ocy h ASP 118 N 0.00 -1.49 -0.44 0.00 5.19 -0.30 0.28 116.42 119.66 2ocy h ASP 118 Ca 0.10 0.18 0.09 0.00 -0.62 0.00 0.00 57.03 56.78 2ocy h ASP 118 Cb 0.21 0.59 -0.10 0.00 0.18 0.00 0.00 39.33 40.21 2ocy h ASP 118 CO -0.41 -0.40 -0.30 0.00 -3.12 0.00 0.00 179.24 175.01 2ocy h ALA 119 N -0.44 -0.09 -0.57 3.45 0.00 -0.29 -0.30 119.26 121.02 2ocy h ALA 119 Ca 0.03 0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.23 2ocy h ALA 119 Cb 0.57 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2ocy h ALA 119 CO -0.39 -0.68 0.41 0.00 0.00 0.00 0.00 179.25 178.59 2ocy h ARG 120 N -0.21 0.01 -0.01 0.00 2.47 -0.26 0.34 114.38 116.72 2ocy h ARG 120 Ca 0.19 -0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.81 2ocy h ARG 120 Cb 0.52 -0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.85 2ocy h ARG 120 CO -0.56 0.00 -0.38 0.87 0.56 0.00 0.00 179.97 180.47 2ocy h LYS 121 N 0.01 0.27 0.00 0.04 1.57 0.72 -2.12 116.57 117.06 2ocy h LYS 121 Ca 0.27 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2ocy h LYS 121 Cb 1.09 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2ocy h LYS 121 CO -0.00 0.98 0.20 0.93 -0.57 0.00 0.00 179.45 180.99 2ocy h GLU 122 N -0.33 0.00 0.04 3.15 5.08 -0.02 0.48 114.58 122.99 2ocy h GLU 122 Ca -0.04 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.04 2ocy h GLU 122 Cb 1.11 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 2ocy h GLU 122 CO 0.07 0.00 -1.50 -0.22 -1.00 0.00 0.00 179.01 176.37 2ocy h LYS 123 N 0.00 0.09 -0.43 2.33 3.64 -1.26 -3.33 116.57 117.61 2ocy h LYS 123 Ca 0.00 -0.16 0.09 0.00 -1.27 0.00 0.00 60.65 59.31 2ocy h LYS 123 Cb 0.40 0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 32.19 2ocy h LYS 123 CO 0.00 1.07 -0.27 -0.92 -2.27 0.00 0.00 179.45 177.06 2ocy h TYR 124 N -0.65 -0.73 -0.42 1.91 3.20 0.51 0.49 116.97 121.28 2ocy h TYR 124 Ca -0.37 0.05 0.05 0.00 3.14 0.00 0.00 58.73 61.60 2ocy h TYR 124 Cb 1.55 0.38 -0.07 0.00 1.54 0.00 0.00 36.73 40.13 2ocy h TYR 124 CO 0.09 -0.34 -0.45 0.00 -1.64 0.00 0.00 178.16 175.82 2ocy h ALA 125 N 0.97 -0.63 -0.02 1.82 0.00 -0.92 0.95 119.26 121.43 2ocy h ALA 125 Ca 0.20 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2ocy h ALA 125 Cb 0.50 1.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.33 2ocy h ALA 125 CO -0.54 -0.87 -0.43 0.82 0.00 0.00 0.00 179.25 178.23 2ocy h ILE 126 N -0.25 0.13 -0.75 0.00 2.04 -1.42 -0.90 117.51 116.36 2ocy h ILE 126 Ca 0.07 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.20 2ocy h ILE 126 Cb 0.44 0.13 -0.14 0.00 -0.74 0.00 0.00 36.82 36.51 2ocy h ILE 126 CO -0.53 0.00 0.23 -0.62 0.00 0.00 0.00 178.15 177.23 2ocy n GLU 127 N -5.45 -0.05 0.33 2.37 1.02 0.16 -0.35 120.64 118.67 2ocy n GLU 127 Ca -0.06 1.07 -0.13 0.00 -0.02 0.00 0.00 57.16 58.02 2ocy n GLU 127 Cb 0.37 -1.82 -0.06 0.00 -0.02 0.00 0.00 31.44 29.91 2ocy n GLU 127 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2ocy h ILE 128 N 0.00 0.00 -1.18 -3.67 2.04 0.50 -3.04 117.51 112.15 2ocy h ILE 128 Ca 0.55 -0.21 0.34 0.00 1.00 0.00 0.00 64.86 66.54 2ocy h ILE 128 Cb 1.35 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.33 2ocy h ILE 128 CO -0.63 0.00 0.78 -0.07 0.00 0.00 0.00 178.15 178.23 2ocy h LEU 129 N -1.08 0.30 0.75 1.44 3.38 -0.36 0.11 115.31 119.85 2ocy h LEU 129 Ca -0.09 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2ocy h LEU 129 Cb 0.66 0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.47 2ocy h LEU 129 CO 0.15 -0.02 -0.36 -1.13 0.09 0.00 0.00 178.44 177.16 2ocy h ASN 130 N 0.22 -0.86 -1.09 -0.43 -0.73 -1.35 -0.83 115.58 110.51 2ocy h ASN 130 Ca 0.68 0.03 0.34 0.00 1.87 0.00 0.00 56.30 59.22 2ocy h ASN 130 Cb 2.05 0.22 -0.13 0.00 0.27 0.00 0.00 38.32 40.73 2ocy h ASN 130 CO -0.29 -0.55 0.67 0.11 -0.37 0.00 0.00 177.43 177.00 2ocy h LYS 131 N -1.14 0.27 0.00 6.67 1.57 -0.74 0.28 116.57 123.47 2ocy h LYS 131 Ca -0.10 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2ocy h LYS 131 Cb 0.78 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2ocy h LYS 131 CO 0.17 0.18 0.00 0.54 -0.57 0.00 0.00 179.45 179.77 2ocy n ARG 132 N -4.86 0.00 -0.30 3.15 1.74 -0.36 -2.41 116.66 113.61 2ocy n ARG 132 Ca 0.32 0.40 0.14 0.00 -0.77 0.00 0.00 57.85 57.94 2ocy n ARG 132 Cb 1.08 -1.36 0.32 0.00 -1.02 0.00 0.00 32.46 31.48 2ocy n ARG 132 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2ocy h LEU 133 N 0.00 0.19 -1.52 0.55 3.38 -0.28 0.90 115.31 118.52 2ocy h LEU 133 Ca 0.00 0.18 0.25 0.00 0.09 0.00 0.00 57.88 58.40 2ocy h LEU 133 Cb 0.00 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 2ocy h LEU 133 CO 0.00 -0.10 0.66 0.74 0.09 0.00 0.00 178.44 179.83 2ocy h THR 134 N 0.29 0.57 0.00 0.22 2.02 -0.42 0.30 112.91 115.90 2ocy h THR 134 Ca 0.58 -0.12 -0.36 0.00 0.77 0.00 0.00 66.41 67.28 2ocy h THR 134 Cb 1.16 0.21 -0.07 0.00 -1.74 0.00 0.00 68.15 67.71 2ocy h THR 134 CO -0.60 0.06 -2.37 -0.62 0.37 0.00 0.00 175.52 172.36 2ocy n GLU 135 N -4.51 0.74 0.06 6.66 1.02 0.11 -2.95 120.64 121.77 2ocy n GLU 135 Ca 0.23 0.05 0.04 0.00 -0.02 0.00 0.00 57.16 57.45 2ocy n GLU 135 Cb 0.85 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.97 2ocy n GLU 135 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2ocy n GLN 136 N -2.92 0.05 -0.04 3.49 7.27 0.27 -0.90 117.38 124.60 2ocy n GLN 136 Ca -0.37 0.54 -0.03 0.00 0.07 0.00 0.00 57.00 57.20 2ocy n GLN 136 Cb 1.07 -1.67 -0.01 0.00 2.41 0.00 0.00 30.24 32.03 2ocy n GLN 136 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 2ocy n LEU 137 N -1.75 1.07 -0.25 1.69 7.94 0.95 -4.05 117.00 122.60 2ocy n LEU 137 Ca -0.00 0.39 0.12 0.00 -1.11 0.00 0.00 56.01 55.40 2ocy n LEU 137 Cb 0.03 -0.69 0.23 0.00 0.53 0.00 0.00 43.42 43.52 2ocy n LEU 137 CO 0.03 -0.45 0.59 -1.14 -1.11 0.00 0.00 177.39 175.31 2ocy n ARG 138 N -3.62 -0.06 0.02 1.96 0.63 -0.42 -0.54 116.66 114.63 2ocy n ARG 138 Ca -0.05 1.07 -0.01 0.00 -0.92 0.00 0.00 57.85 57.93 2ocy n ARG 138 Cb 0.20 -1.71 -0.01 0.00 0.45 0.00 0.00 32.46 31.39 2ocy n ARG 138 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2ocy h GLU 139 N 0.00 -0.06 -0.89 -0.14 5.08 -1.21 -2.31 114.58 115.05 2ocy h GLU 139 Ca 0.45 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 59.03 2ocy h GLU 139 Cb 0.95 0.01 -0.16 0.00 0.50 0.00 0.00 28.75 30.05 2ocy h GLU 139 CO -0.66 -0.04 -0.02 0.87 -1.00 0.00 0.00 179.01 178.16 2ocy h LYS 140 N -0.06 0.05 0.00 2.33 1.79 -0.96 0.61 116.57 120.33 2ocy h LYS 140 Ca -0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2ocy h LYS 140 Cb 0.05 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2ocy h LYS 140 CO -0.00 0.03 0.04 -0.44 -1.08 0.00 0.00 179.45 178.00 2ocy h ASP 141 N 0.05 0.00 0.02 0.86 3.32 -0.64 -2.07 116.42 117.96 2ocy h ASP 141 Ca 0.51 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.49 2ocy h ASP 141 Cb 0.95 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 2ocy h ASP 141 CO -0.83 0.00 -0.33 0.74 -1.72 0.00 0.00 179.24 177.10 2ocy h THR 142 N 0.00 1.60 -0.63 0.35 2.02 0.77 -2.77 112.91 114.25 2ocy h THR 142 Ca 0.00 -2.34 0.13 0.00 0.77 0.00 0.00 66.41 64.97 2ocy h THR 142 Cb 0.08 3.16 -0.11 0.00 -1.74 0.00 0.00 68.15 69.54 2ocy h THR 142 CO 0.00 0.57 -0.03 -0.07 0.37 0.00 0.00 175.52 176.36 2ocy h LEU 143 N -0.92 -0.34 -0.63 2.58 3.38 -1.29 -0.43 115.31 117.66 2ocy h LEU 143 Ca -0.08 0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2ocy h LEU 143 Cb 1.13 0.30 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 2ocy h LEU 143 CO -0.02 -0.14 0.28 0.25 0.09 0.00 0.00 178.44 178.90 2ocy h LEU 144 N 0.09 0.84 0.00 1.67 6.46 -1.52 0.42 115.31 123.27 2ocy h LEU 144 Ca 0.32 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 2ocy h LEU 144 Cb 0.53 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 2ocy h LEU 144 CO -0.56 0.76 0.00 0.47 -0.62 0.00 0.00 178.44 178.49 2ocy n ASP 145 N -4.47 0.00 -0.04 1.25 8.00 -0.28 -1.61 116.55 119.40 2ocy n ASP 145 Ca 0.04 -1.83 -0.09 0.00 0.71 0.00 0.00 54.79 53.63 2ocy n ASP 145 Cb 0.14 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 2ocy n ASP 145 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2ocy n THR 146 N -0.51 0.99 -0.17 -3.53 -1.04 -0.43 -4.26 114.28 105.33 2ocy n THR 146 Ca 0.00 0.05 -0.03 0.00 -2.04 0.00 0.00 64.05 62.04 2ocy n THR 146 Cb 0.00 -1.79 0.07 0.00 -1.82 0.00 0.00 70.33 66.79 2ocy n THR 146 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2ocy h LEU 147 N -0.43 0.21 -1.86 -4.42 4.07 -0.21 0.59 115.31 113.26 2ocy h LEU 147 Ca -0.16 0.06 0.22 0.00 0.08 0.00 0.00 57.88 58.08 2ocy h LEU 147 Cb 0.87 0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.61 2ocy h LEU 147 CO -0.10 0.15 0.58 0.74 -1.08 0.00 0.00 178.44 178.74 2ocy h THR 148 N 0.39 0.62 0.08 0.22 2.02 -1.53 0.20 112.91 114.90 2ocy h THR 148 Ca 0.25 -0.04 -0.30 0.00 0.77 0.00 0.00 66.41 67.09 2ocy h THR 148 Cb 0.26 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2ocy h THR 148 CO -0.24 0.02 -1.55 0.25 0.37 0.00 0.00 175.52 174.37 2ocy h LEU 149 N 0.12 0.25 -0.15 2.58 6.46 -0.40 -2.66 115.31 121.50 2ocy h LEU 149 Ca 0.41 -0.39 0.03 0.00 -0.12 0.00 0.00 57.88 57.81 2ocy h LEU 149 Cb 1.43 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 41.25 2ocy h LEU 149 CO -0.06 1.33 -0.06 1.56 -0.62 0.00 0.00 178.44 180.59 2ocy h GLN 150 N 0.04 -0.03 0.00 1.25 4.20 0.29 -2.17 115.11 118.69 2ocy h GLN 150 Ca -0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.47 2ocy h GLN 150 Cb 1.99 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.77 2ocy h GLN 150 CO 0.13 -0.02 0.00 1.28 -0.67 0.00 0.00 178.83 179.55 2ocy n LEU 151 N -5.20 0.03 -0.04 1.46 4.77 -0.15 -2.88 117.00 114.98 2ocy n LEU 151 Ca -0.03 0.78 0.04 0.00 -0.03 0.00 0.00 56.01 56.76 2ocy n LEU 151 Cb 0.12 -0.29 0.08 0.00 -2.33 0.00 0.00 43.42 41.00 2ocy n LEU 151 CO 0.25 -0.29 0.14 1.17 -1.33 0.00 0.00 177.39 177.33 2ocy n LYS 152 N -1.36 -0.01 0.10 3.23 4.81 -1.00 0.18 118.16 124.10 2ocy n LYS 152 Ca 0.00 0.19 -0.05 0.00 -0.87 0.00 0.00 58.31 57.58 2ocy n LYS 152 Cb 0.00 -0.33 0.08 0.00 0.02 0.00 0.00 35.03 34.80 2ocy n LYS 152 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 2ocy h ASN 153 N 0.00 0.19 0.18 3.14 2.35 -1.25 -3.29 115.58 116.90 2ocy h ASN 153 Ca 0.11 -0.13 -0.31 0.00 -0.55 0.00 0.00 56.30 55.43 2ocy h ASN 153 Cb 0.29 -0.06 0.02 0.00 0.05 0.00 0.00 38.32 38.62 2ocy h ASN 153 CO -0.11 0.83 -1.48 -0.07 -1.65 0.00 0.00 177.43 174.95 2ocy h LEU 154 N 0.11 0.60 0.00 1.61 3.38 0.20 -3.11 115.31 118.08 2ocy h LEU 154 Ca -0.02 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.04 2ocy h LEU 154 Cb 1.25 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2ocy h LEU 154 CO 0.10 1.68 0.00 1.17 0.09 0.00 0.00 178.44 181.48 2ocy n LYS 155 N -3.78 0.00 -0.03 1.13 4.81 -1.00 0.15 118.16 119.44 2ocy n LYS 155 Ca -0.22 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.19 2ocy n LYS 155 Cb 1.01 -1.09 -0.03 0.00 0.02 0.00 0.00 35.03 34.94 2ocy n LYS 155 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2ocy n LYS 156 N -0.57 1.33 0.00 1.64 4.81 -1.22 -4.14 118.16 120.00 2ocy n LYS 156 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2ocy n LYS 156 Cb 0.00 -1.13 0.00 0.00 0.02 0.00 0.00 35.03 33.92 2ocy n LYS 156 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2ocy n VAL 157 N -2.49 0.32 -0.12 3.15 0.31 0.38 -3.20 118.33 116.68 2ocy n VAL 157 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2ocy n VAL 157 Cb 0.63 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 2ocy n VAL 157 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2ocy n HIS 159 N 0.73 0.00 0.04 3.52 -0.00 -1.26 -2.48 115.22 115.76 2ocy n HIS 159 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2ocy n HIS 159 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.16 2ocy n HIS 159 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 2ocy n SER 160 N 0.01 0.16 0.00 0.41 3.41 -1.19 -4.98 113.62 111.43 2ocy n SER 160 Ca 0.00 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2ocy n SER 160 Cb 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 2ocy n SER 160 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2ocy n LEU 161 N -2.88 0.00 -0.49 1.04 4.77 -1.04 -5.24 117.00 113.17 2ocy n LEU 161 Ca 0.00 0.25 0.14 0.00 -0.03 0.00 0.00 56.01 56.37 2ocy n LEU 161 Cb 0.00 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 41.61 2ocy n LEU 161 CO 0.00 0.00 0.87 0.47 -1.33 0.00 0.00 177.39 177.40