#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3o n TYR 3 N 0.00 -0.03 -0.22 0.66 4.01 -1.26 -4.64 117.16 115.69 2k3o n TYR 3 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.66 2k3o n TYR 3 Cb 0.00 0.35 0.03 0.00 -0.31 0.00 0.00 39.34 39.41 2k3o n TYR 3 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2k3o h SER 4 N 0.00 1.05 -0.24 7.72 0.02 -1.95 -0.90 113.55 119.24 2k3o h SER 4 Ca 0.00 -0.29 -0.07 0.00 -0.84 0.00 0.00 61.79 60.59 2k3o h SER 4 Cb 0.30 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 2k3o h SER 4 CO 0.00 1.07 -0.07 0.28 -1.14 0.00 0.00 176.83 176.97 2k3o h SER 5 N 0.98 0.58 -0.22 3.07 0.02 -1.94 -0.25 113.55 115.79 2k3o h SER 5 Ca 0.18 -0.14 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 2k3o h SER 5 Cb 0.51 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 2k3o h SER 5 CO 0.02 0.70 -0.30 0.00 -1.14 0.00 0.00 176.83 176.11 2k3o h ALA 6 N 1.37 0.34 -0.30 3.77 0.00 -1.76 0.73 119.26 123.40 2k3o h ALA 6 Ca 0.11 -0.41 0.04 0.00 0.00 0.00 0.00 54.91 54.65 2k3o h ALA 6 Cb 0.46 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2k3o h ALA 6 CO 0.02 0.36 0.08 0.35 0.00 0.00 0.00 179.25 180.06 2k3o h PHE 7 N 0.29 0.13 -0.30 0.00 3.04 -1.07 -2.32 116.94 116.70 2k3o h PHE 7 Ca 0.03 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.97 2k3o h PHE 7 Cb 0.88 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 39.35 2k3o h PHE 7 CO 0.08 0.05 0.08 0.00 -2.02 0.00 0.00 178.31 176.50 2k3o h ALA 8 N 1.21 1.58 0.30 2.41 0.00 -0.96 -0.94 119.26 122.86 2k3o h ALA 8 Ca 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2k3o h ALA 8 Cb 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2k3o h ALA 8 CO -0.17 0.32 -0.14 1.96 0.00 0.00 0.00 179.25 181.22 2k3o h GLN 9 N 0.43 -0.39 -0.41 0.00 1.08 -0.31 0.14 115.11 115.65 2k3o h GLN 9 Ca 0.10 0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.21 2k3o h GLN 9 Cb 0.16 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2k3o h GLN 9 CO -0.01 -0.20 -0.21 0.00 -0.95 0.00 0.00 178.83 177.46 2k3o h ALA 10 N 0.19 0.59 0.15 3.87 0.00 -1.40 0.28 119.26 122.93 2k3o h ALA 10 Ca -0.04 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 2k3o h ALA 10 Cb 0.37 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2k3o h ALA 10 CO 0.07 0.56 -0.09 0.00 0.00 0.00 0.00 179.25 179.79 2k3o h ALA 11 N 0.82 -0.21 -0.35 0.00 0.00 -1.16 -1.43 119.26 116.92 2k3o h ALA 11 Ca 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2k3o h ALA 11 Cb 0.78 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2k3o h ALA 11 CO 0.06 -0.63 0.11 0.77 0.00 0.00 0.00 179.25 179.56 2k3o h SER 12 N -0.22 0.46 -0.42 0.00 0.02 -0.71 0.14 113.55 112.82 2k3o h SER 12 Ca -0.01 -0.05 0.03 0.00 -0.84 0.00 0.00 61.79 60.91 2k3o h SER 12 Cb 0.18 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 2k3o h SER 12 CO 0.02 0.45 0.22 0.28 -1.14 0.00 0.00 176.83 176.66 2k3o h SER 13 N 0.50 0.34 0.10 3.07 0.02 -0.51 0.11 113.55 117.18 2k3o h SER 13 Ca 0.12 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2k3o h SER 13 Cb 0.16 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2k3o h SER 13 CO -0.01 0.24 -0.05 -1.28 -1.14 0.00 0.00 176.83 174.60 2k3o h SER 14 N 0.45 -0.12 -0.17 3.07 0.87 -0.89 -3.07 113.55 113.69 2k3o h SER 14 Ca 0.17 -0.41 -0.01 0.00 -1.23 0.00 0.00 61.79 60.31 2k3o h SER 14 Cb 0.06 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 2k3o h SER 14 CO -0.11 0.38 0.08 -0.07 -0.53 0.00 0.00 176.83 176.58 2k3o h LEU 15 N -0.66 0.27 -0.91 2.23 3.38 -0.68 0.41 115.31 119.36 2k3o h LEU 15 Ca -0.01 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2k3o h LEU 15 Cb 0.52 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2k3o h LEU 15 CO 0.02 0.27 -0.36 0.00 0.09 0.00 0.00 178.44 178.46 2k3o h ALA 16 N 1.78 0.98 0.00 1.53 0.00 -0.89 -3.11 119.26 119.55 2k3o h ALA 16 Ca 0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2k3o h ALA 16 Cb 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2k3o h ALA 16 CO -0.01 0.45 -0.72 0.00 0.00 0.00 0.00 179.25 178.97 2k3o h THR 17 N 0.00 0.04 -2.06 0.00 1.03 -1.00 -3.42 112.91 107.48 2k3o h THR 17 Ca -0.00 -1.06 -0.73 0.00 -0.01 0.00 0.00 66.41 64.60 2k3o h THR 17 Cb 0.90 1.68 -0.17 0.00 -1.07 0.00 0.00 68.15 69.49 2k3o h THR 17 CO 0.05 0.02 1.42 -0.44 -0.01 0.00 0.00 175.52 176.55 2k3o s SER 18 N -5.64 7.05 0.57 0.00 0.01 -0.03 -4.88 113.70 110.78 2k3o s SER 18 Ca 0.02 -2.93 0.28 0.00 1.31 0.00 0.00 55.95 54.62 2k3o s SER 18 Cb 0.08 -2.42 1.52 0.00 0.21 0.00 0.00 66.02 65.41 2k3o s SER 18 CO 0.76 -0.79 1.99 0.28 0.41 0.00 0.00 173.24 175.89 2k3o h SER 19 N 7.22 0.00 -0.36 2.44 0.02 -1.83 -1.07 113.55 119.98 2k3o h SER 19 Ca 0.32 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.38 2k3o h SER 19 Cb 0.88 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 2k3o h SER 19 CO 1.26 0.00 0.30 0.00 -1.14 0.00 0.00 176.83 177.25 2k3o h ALA 20 N 1.63 2.18 -0.07 3.77 0.00 -1.93 -0.46 119.26 124.38 2k3o h ALA 20 Ca 0.18 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2k3o h ALA 20 Cb 0.91 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.73 2k3o h ALA 20 CO -0.00 -0.49 -0.38 0.82 0.00 0.00 0.00 179.25 179.20 2k3o h ILE 21 N 0.00 1.42 -0.62 0.00 1.08 -1.51 -1.21 117.51 116.67 2k3o h ILE 21 Ca 0.17 -1.79 0.06 0.00 -0.39 0.00 0.00 64.86 62.91 2k3o h ILE 21 Cb 0.77 2.34 -0.05 0.00 -3.07 0.00 0.00 36.82 36.81 2k3o h ILE 21 CO -0.00 0.52 0.33 -1.28 -0.69 0.00 0.00 178.15 177.02 2k3o h SER 22 N -0.11 0.47 -0.50 1.72 0.87 -1.45 -1.44 113.55 113.12 2k3o h SER 22 Ca -0.03 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2k3o h SER 22 Cb 1.04 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.92 2k3o h SER 22 CO 0.08 0.31 0.25 0.03 -0.53 0.00 0.00 176.83 176.97 2k3o h ARG 23 N 0.61 0.71 -0.63 2.24 3.08 -1.11 0.21 114.38 119.49 2k3o h ARG 23 Ca 0.28 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2k3o h ARG 23 Cb 0.19 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 2k3o h ARG 23 CO -0.19 0.57 0.41 0.00 -1.07 0.00 0.00 179.97 179.69 2k3o h ALA 24 N 1.10 0.80 0.00 0.04 0.00 -0.88 -0.16 119.26 120.15 2k3o h ALA 24 Ca 0.17 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2k3o h ALA 24 Cb 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2k3o h ALA 24 CO -0.02 0.24 -0.21 0.74 0.00 0.00 0.00 179.25 180.00 2k3o h PHE 25 N 0.85 0.00 0.00 0.00 0.04 -1.04 -3.26 116.94 113.53 2k3o h PHE 25 Ca 0.23 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.90 2k3o h PHE 25 Cb -0.08 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 2k3o h PHE 25 CO -0.03 0.21 -0.85 0.00 -0.60 0.00 0.00 178.31 177.04 2k3o h ALA 26 N 1.79 0.67 -0.63 2.45 0.00 -0.40 -3.30 119.26 119.84 2k3o h ALA 26 Ca -0.00 -0.46 0.07 0.00 0.00 0.00 0.00 54.91 54.51 2k3o h ALA 26 Cb 1.11 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 2k3o h ALA 26 CO 0.03 0.55 0.32 1.03 0.00 0.00 0.00 179.25 181.18 2k3o h SER 27 N 0.00 0.44 -3.71 0.00 0.87 -1.06 -3.43 113.55 106.66 2k3o h SER 27 Ca -0.06 0.04 -0.50 0.00 -1.23 0.00 0.00 61.79 60.05 2k3o h SER 27 Cb 1.35 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 63.24 2k3o h SER 27 CO 0.04 0.28 0.20 0.68 -0.53 0.00 0.00 176.83 177.51 2k3o s VAL 28 N -6.10 4.44 -0.07 2.23 -7.23 -1.24 -4.84 120.40 107.58 2k3o s VAL 28 Ca -0.13 1.47 0.11 0.00 -1.81 0.00 0.00 61.98 61.62 2k3o s VAL 28 Cb 0.16 -3.89 0.16 0.00 0.56 0.00 0.00 36.38 33.37 2k3o s VAL 28 CO 0.75 0.14 1.05 -1.20 -0.31 0.00 0.00 175.10 175.54 2k3o n SER 29 N 0.55 1.70 -3.92 4.85 7.64 -1.26 -4.76 113.62 118.43 2k3o n SER 29 Ca -0.00 -2.56 -0.14 0.00 1.01 0.00 0.00 58.87 57.19 2k3o n SER 29 Cb 0.51 -0.28 -0.14 0.00 -1.01 0.00 0.00 64.21 63.29 2k3o n SER 29 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k3o s SER 30 N -2.00 0.31 0.16 6.43 0.15 -1.26 -4.83 113.70 112.65 2k3o s SER 30 Ca 0.18 -0.05 -0.13 0.00 0.70 0.00 0.00 55.95 56.65 2k3o s SER 30 Cb 0.16 -0.03 0.05 0.00 -1.71 0.00 0.00 66.02 64.49 2k3o s SER 30 CO 0.02 0.03 1.71 0.00 1.20 0.00 0.00 173.24 176.20 2k3o h ALA 31 N 6.06 0.69 -0.69 5.45 0.00 -1.94 -1.58 119.26 127.25 2k3o h ALA 31 Ca -0.26 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2k3o h ALA 31 Cb 1.20 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2k3o h ALA 31 CO 0.50 0.31 0.44 0.77 0.00 0.00 0.00 179.25 181.27 2k3o h SER 32 N 0.73 0.80 -0.44 0.00 0.02 -1.97 0.69 113.55 113.38 2k3o h SER 32 Ca 0.18 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 2k3o h SER 32 Cb 0.20 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2k3o h SER 32 CO -0.01 0.59 -0.06 0.00 -1.14 0.00 0.00 176.83 176.20 2k3o h ALA 33 N 1.55 0.60 -0.53 3.77 0.00 -1.84 0.05 119.26 122.86 2k3o h ALA 33 Ca 0.25 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2k3o h ALA 33 Cb -0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2k3o h ALA 33 CO -0.05 0.44 0.15 0.00 0.00 0.00 0.00 179.25 179.79 2k3o h ALA 34 N 0.88 0.70 -0.26 0.00 0.00 -1.01 -0.60 119.26 118.97 2k3o h ALA 34 Ca 0.12 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2k3o h ALA 34 Cb 0.58 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2k3o h ALA 34 CO 0.03 0.38 0.07 0.77 0.00 0.00 0.00 179.25 180.50 2k3o h SER 35 N 0.74 0.05 0.18 0.00 0.02 -0.74 -0.14 113.55 113.65 2k3o h SER 35 Ca 0.17 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.08 2k3o h SER 35 Cb 0.31 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 2k3o h SER 35 CO -0.00 0.06 -0.27 0.28 -1.14 0.00 0.00 176.83 175.76 2k3o h SER 36 N 0.17 0.15 0.13 3.07 0.02 -0.91 0.67 113.55 116.86 2k3o h SER 36 Ca 0.12 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2k3o h SER 36 Cb 0.11 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2k3o h SER 36 CO -0.14 0.43 -0.06 -0.07 -1.14 0.00 0.00 176.83 175.84 2k3o h LEU 37 N 0.14 -0.15 -1.66 5.07 3.38 -0.65 0.20 115.31 121.65 2k3o h LEU 37 Ca 0.02 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.85 2k3o h LEU 37 Cb 0.56 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2k3o h LEU 37 CO 0.04 0.13 0.34 0.00 0.09 0.00 0.00 178.44 179.04 2k3o h ALA 38 N 0.39 1.94 0.08 1.53 0.00 -0.86 -0.11 119.26 122.23 2k3o h ALA 38 Ca -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k3o h ALA 38 Cb 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2k3o h ALA 38 CO 0.03 -0.03 -0.04 -0.92 0.00 0.00 0.00 179.25 178.29 2k3o h TYR 39 N 0.42 -0.10 0.17 0.00 3.20 -0.73 -0.70 116.97 119.23 2k3o h TYR 39 Ca 0.22 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 2k3o h TYR 39 Cb 0.34 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 2k3o h TYR 39 CO -0.00 0.28 -0.13 -0.91 -1.64 0.00 0.00 178.16 175.76 2k3o h ASN 40 N -0.50 -0.32 0.20 -2.11 4.21 -0.41 0.41 115.58 117.06 2k3o h ASN 40 Ca -0.01 0.02 -0.12 0.00 1.21 0.00 0.00 56.30 57.40 2k3o h ASN 40 Cb 0.43 0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.72 2k3o h ASN 40 CO 0.02 -0.20 -0.47 0.16 -1.29 0.00 0.00 177.43 175.65 2k3o h ILE 41 N -0.30 1.33 -0.55 2.81 3.07 -1.15 -2.64 117.51 120.07 2k3o h ILE 41 Ca -0.01 -1.66 -0.07 0.00 1.55 0.00 0.00 64.86 64.67 2k3o h ILE 41 Cb 0.27 1.74 -0.02 0.00 -0.27 0.00 0.00 36.82 38.54 2k3o h ILE 41 CO -0.00 0.50 0.08 1.23 -1.05 0.00 0.00 178.15 178.91 2k3o h GLY 42 N 1.24 1.00 1.01 0.16 0.00 -0.97 -1.44 103.07 104.07 2k3o h GLY 42 Ca 0.02 -0.67 0.01 0.00 0.00 0.00 0.00 47.33 46.68 2k3o h GLY 42 CO 0.08 0.62 0.54 1.41 0.00 0.00 0.00 176.54 179.19 2k3o h LEU 43 N 0.81 0.93 0.01 3.11 4.07 -0.80 0.15 115.31 123.60 2k3o h LEU 43 Ca 0.17 -0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 2k3o h LEU 43 Cb 0.43 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.94 2k3o h LEU 43 CO 0.01 0.68 -0.01 -1.28 -1.08 0.00 0.00 178.44 176.76 2k3o h SER 44 N 1.10 -0.01 -0.65 -0.43 0.87 -1.30 -0.28 113.55 112.84 2k3o h SER 44 Ca 0.30 -0.20 0.01 0.00 -1.23 0.00 0.00 61.79 60.66 2k3o h SER 44 Cb -0.13 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 2k3o h SER 44 CO -0.06 0.19 0.43 0.00 -0.53 0.00 0.00 176.83 176.85 2k3o h ALA 45 N 0.76 0.83 -0.68 6.23 0.00 -1.15 -1.39 119.26 123.86 2k3o h ALA 45 Ca -0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2k3o h ALA 45 Cb 0.21 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2k3o h ALA 45 CO 0.00 0.26 0.14 0.00 0.00 0.00 0.00 179.25 179.65 2k3o h ALA 46 N 1.23 0.90 -0.56 0.00 0.00 -0.66 -0.31 119.26 119.87 2k3o h ALA 46 Ca 0.24 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2k3o h ALA 46 Cb -0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 2k3o h ALA 46 CO -0.05 0.64 0.27 0.00 0.00 0.00 0.00 179.25 180.12 2k3o h ARG 47 N 1.03 0.80 -0.00 0.00 3.08 -0.86 -0.65 114.38 117.78 2k3o h ARG 47 Ca 0.21 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 2k3o h ARG 47 Cb 0.41 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2k3o h ARG 47 CO 0.01 0.65 -0.20 0.77 -1.07 0.00 0.00 179.97 180.13 2k3o h SER 48 N 0.75 0.00 -0.30 7.04 0.02 -0.98 -2.52 113.55 117.57 2k3o h SER 48 Ca 0.19 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2k3o h SER 48 Cb 0.11 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2k3o h SER 48 CO -0.03 0.20 0.00 0.18 -1.14 0.00 0.00 176.83 176.04 2k3o n LEU 49 N -4.30 2.43 -2.40 5.07 4.77 -0.15 -4.97 117.00 117.44 2k3o n LEU 49 Ca -0.02 -1.07 -0.19 0.00 -0.03 0.00 0.00 56.01 54.70 2k3o n LEU 49 Cb 0.26 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 2k3o n LEU 49 CO 0.37 0.53 -0.25 0.61 -1.33 0.00 0.00 177.39 177.32 2k3o n GLY 50 N 1.28 -0.49 3.76 -0.72 0.00 -0.39 -4.95 105.19 103.68 2k3o n GLY 50 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2k3o n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k3o s ILE 51 N -2.97 2.06 -1.84 -0.61 -1.09 -0.41 -4.92 121.20 111.42 2k3o s ILE 51 Ca 0.00 0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.47 2k3o s ILE 51 Cb 0.00 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.85 2k3o s ILE 51 CO 0.00 0.01 0.88 0.00 -1.23 0.00 0.00 174.94 174.60 2k3o n ALA 52 N 1.87 2.45 -2.67 9.38 0.00 -1.26 -4.00 120.51 126.28 2k3o n ALA 52 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.46 2k3o n ALA 52 Cb 0.38 -1.00 0.08 0.00 0.00 0.00 0.00 19.45 18.91 2k3o n ALA 52 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k3o n SER 53 N -0.42 -1.44 -0.31 0.00 7.64 -1.26 -5.05 113.62 112.78 2k3o n SER 53 Ca 0.00 -1.95 0.10 0.00 1.01 0.00 0.00 58.87 58.02 2k3o n SER 53 Cb 0.04 0.90 0.27 0.00 -1.01 0.00 0.00 64.21 64.40 2k3o n SER 53 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2k3o h ASP 54 N 3.06 0.58 0.03 6.43 3.32 -1.93 -1.27 116.42 126.64 2k3o h ASP 54 Ca -0.24 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2k3o h ASP 54 Cb 1.19 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 2k3o h ASP 54 CO -0.11 0.21 -0.02 0.71 -1.72 0.00 0.00 179.24 178.30 2k3o h THR 55 N 0.64 0.97 0.17 0.35 1.35 -1.95 -0.01 112.91 114.42 2k3o h THR 55 Ca 0.51 -0.08 -0.33 0.00 -0.55 0.00 0.00 66.41 65.96 2k3o h THR 55 Cb 0.79 1.05 0.01 0.00 -1.73 0.00 0.00 68.15 68.26 2k3o h THR 55 CO -0.39 0.02 -1.66 0.00 -0.25 0.00 0.00 175.52 173.24 2k3o h ALA 56 N 1.98 0.16 0.61 6.62 0.00 -1.67 -1.43 119.26 125.53 2k3o h ALA 56 Ca -0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 54.91 53.76 2k3o h ALA 56 Cb 0.04 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2k3o h ALA 56 CO 0.00 0.97 -0.39 1.25 0.00 0.00 0.00 179.25 181.08 2k3o h LEU 57 N 0.00 -0.98 -1.22 0.00 7.12 -1.21 -1.26 115.31 117.77 2k3o h LEU 57 Ca -0.33 0.06 -0.07 0.00 0.13 0.00 0.00 57.88 57.66 2k3o h LEU 57 Cb 2.01 0.29 -0.01 0.00 -0.53 0.00 0.00 40.66 42.43 2k3o h LEU 57 CO 0.15 -0.60 -0.34 0.00 -0.13 0.00 0.00 178.44 177.52 2k3o h ALA 58 N -0.66 1.18 -0.59 1.25 0.00 -1.17 -2.58 119.26 116.69 2k3o h ALA 58 Ca -0.07 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 2k3o h ALA 58 Cb 0.77 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2k3o h ALA 58 CO 0.07 0.43 0.20 0.78 0.00 0.00 0.00 179.25 180.72 2k3o h GLY 59 N 1.49 0.98 1.03 0.00 0.00 -1.09 0.10 103.07 105.58 2k3o h GLY 59 Ca -0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 2k3o h GLY 59 CO 0.04 0.54 0.45 0.00 0.00 0.00 0.00 176.54 177.57 2k3o h ALA 60 N 1.06 1.11 -0.58 3.60 0.00 -0.94 -1.12 119.26 122.38 2k3o h ALA 60 Ca 0.19 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2k3o h ALA 60 Cb 0.27 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2k3o h ALA 60 CO -0.01 0.64 -0.01 -0.07 0.00 0.00 0.00 179.25 179.80 2k3o h LEU 61 N 1.21 1.01 -0.11 0.00 3.38 -1.16 -0.22 115.31 119.43 2k3o h LEU 61 Ca 0.30 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k3o h LEU 61 Cb 0.06 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2k3o h LEU 61 CO -0.04 1.08 0.07 0.00 0.09 0.00 0.00 178.44 179.63 2k3o h ALA 62 N 0.97 0.14 0.00 1.53 0.00 -0.64 -0.77 119.26 120.49 2k3o h ALA 62 Ca 0.16 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2k3o h ALA 62 Cb 0.56 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2k3o h ALA 62 CO 0.03 -0.35 -0.26 1.96 0.00 0.00 0.00 179.25 180.63 2k3o h GLN 63 N 0.13 0.00 -0.07 0.00 1.08 -1.12 0.01 115.11 115.14 2k3o h GLN 63 Ca 0.04 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 2k3o h GLN 63 Cb 0.02 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2k3o h GLN 63 CO -0.01 0.26 -0.07 0.00 -0.95 0.00 0.00 178.83 178.06 2k3o h ALA 64 N 1.74 0.11 -0.02 3.87 0.00 -0.75 -0.78 119.26 123.43 2k3o h ALA 64 Ca -0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2k3o h ALA 64 Cb 0.49 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2k3o h ALA 64 CO 0.03 -0.08 0.00 0.28 0.00 0.00 0.00 179.25 179.49 2k3o h VAL 65 N -0.26 1.19 0.00 0.00 2.07 -1.00 -2.67 116.25 115.58 2k3o h VAL 65 Ca 0.01 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2k3o h VAL 65 Cb 0.58 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2k3o h VAL 65 CO 0.02 0.15 0.00 1.23 0.02 0.00 0.00 177.57 178.99 2k3o h GLY 66 N -0.19 0.00 1.30 2.17 0.00 -1.11 -3.06 103.07 102.17 2k3o h GLY 66 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2k3o h GLY 66 CO 0.00 0.00 -0.26 -1.33 0.00 0.00 0.00 176.54 174.95 2k3o h GLY 67 N 1.32 0.87 0.35 4.60 0.00 -0.78 -3.22 103.07 106.22 2k3o h GLY 67 Ca 0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 47.33 46.51 2k3o h GLY 67 CO 0.00 0.70 -0.18 -2.08 0.00 0.00 0.00 176.54 174.99 2k3o h VAL 68 N 0.69 1.60 0.00 4.60 2.07 -1.49 -3.51 116.25 120.21 2k3o h VAL 68 Ca 0.09 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.62 2k3o h VAL 68 Cb 0.79 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.44 2k3o h VAL 68 CO 0.07 0.53 0.00 0.61 0.02 0.00 0.00 177.57 178.80 2k3o n GLY 69 N 1.13 0.98 3.79 2.17 0.00 -1.17 -4.98 105.19 107.11 2k3o n GLY 69 Ca -0.10 -2.30 -0.32 0.00 0.00 0.00 0.00 46.02 43.30 2k3o n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3o s ALA 70 N -1.08 2.58 0.00 4.61 0.00 -1.26 -3.96 121.76 122.64 2k3o s ALA 70 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.37 2k3o s ALA 70 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.86 2k3o s ALA 70 CO 0.00 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.04 2k3o n GLY 71 N -0.92 0.23 3.67 0.00 0.00 -1.26 -4.99 105.19 101.91 2k3o n GLY 71 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2k3o n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3o s ALA 72 N -1.48 1.12 0.59 4.61 0.00 -1.25 -5.03 121.76 120.31 2k3o s ALA 72 Ca 0.00 -0.10 -0.18 0.00 0.00 0.00 0.00 51.96 51.68 2k3o s ALA 72 Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 2k3o s ALA 72 CO 0.00 -2.70 1.15 0.45 0.00 0.00 0.00 175.76 174.67 2k3o s SER 73 N -3.26 5.37 0.28 0.00 0.15 -1.26 -4.91 113.70 110.07 2k3o s SER 73 Ca 0.65 2.22 0.01 0.00 0.70 0.00 0.00 55.95 59.53 2k3o s SER 73 Cb -0.19 -2.58 0.56 0.00 -1.71 0.00 0.00 66.02 62.09 2k3o s SER 73 CO 0.58 -1.46 1.82 0.00 1.20 0.00 0.00 173.24 175.38 2k3o h ALA 74 N 0.83 1.47 -0.58 5.45 0.00 -1.93 -1.18 119.26 123.32 2k3o h ALA 74 Ca -0.49 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2k3o h ALA 74 Cb 1.27 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2k3o h ALA 74 CO 0.55 0.15 0.26 1.03 0.00 0.00 0.00 179.25 181.24 2k3o h SER 75 N 0.91 0.75 -0.19 0.00 0.87 -1.92 0.87 113.55 114.84 2k3o h SER 75 Ca 0.49 -0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.93 2k3o h SER 75 Cb 0.54 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2k3o h SER 75 CO -0.29 0.66 -0.06 0.00 -0.53 0.00 0.00 176.83 176.61 2k3o h ALA 76 N 1.46 0.26 -0.17 6.23 0.00 -1.61 0.13 119.26 125.56 2k3o h ALA 76 Ca 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2k3o h ALA 76 Cb 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2k3o h ALA 76 CO -0.02 0.05 0.05 1.88 0.00 0.00 0.00 179.25 181.21 2k3o h TYR 77 N 0.08 0.28 -0.60 0.00 0.05 -1.21 0.01 116.97 115.58 2k3o h TYR 77 Ca 0.05 -0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 2k3o h TYR 77 Cb 0.52 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.15 2k3o h TYR 77 CO 0.06 0.39 0.23 0.00 -1.05 0.00 0.00 178.16 177.78 2k3o h ALA 78 N 0.86 0.78 -0.41 3.88 0.00 -0.86 0.12 119.26 123.63 2k3o h ALA 78 Ca 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2k3o h ALA 78 Cb 0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2k3o h ALA 78 CO -0.00 0.40 0.10 -0.97 0.00 0.00 0.00 179.25 178.78 2k3o h ASN 79 N 0.83 0.62 -0.65 0.00 -1.24 -0.72 0.22 115.58 114.64 2k3o h ASN 79 Ca 0.20 -0.23 0.01 0.00 0.71 0.00 0.00 56.30 56.99 2k3o h ASN 79 Cb 0.22 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.07 2k3o h ASN 79 CO -0.01 0.69 0.43 0.00 -1.29 0.00 0.00 177.43 177.24 2k3o h ALA 80 N 0.95 0.83 -0.13 1.57 0.00 -0.71 0.22 119.26 121.99 2k3o h ALA 80 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2k3o h ALA 80 Cb 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2k3o h ALA 80 CO 0.00 0.23 0.03 0.82 0.00 0.00 0.00 179.25 180.33 2k3o h ILE 81 N 0.86 1.20 -0.07 0.00 2.04 -0.91 0.82 117.51 121.46 2k3o h ILE 81 Ca 0.24 -0.64 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 2k3o h ILE 81 Cb -0.07 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2k3o h ILE 81 CO -0.06 0.19 -0.25 0.00 0.00 0.00 0.00 178.15 178.02 2k3o h ALA 82 N 0.82 1.45 0.17 1.87 0.00 -0.20 0.28 119.26 123.66 2k3o h ALA 82 Ca 0.04 -0.27 -0.30 0.00 0.00 0.00 0.00 54.91 54.38 2k3o h ALA 82 Cb 0.27 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.01 2k3o h ALA 82 CO 0.00 0.40 -1.37 0.00 0.00 0.00 0.00 179.25 178.27 2k3o h ARG 83 N 0.11 0.37 0.16 0.00 2.47 -0.60 0.36 114.38 117.26 2k3o h ARG 83 Ca 0.02 -0.63 -0.01 0.00 -1.26 0.00 0.00 59.98 58.10 2k3o h ARG 83 Cb 0.52 0.23 0.00 0.00 -1.65 0.00 0.00 29.97 29.07 2k3o h ARG 83 CO 0.04 1.29 -0.08 0.00 0.56 0.00 0.00 179.97 181.78 2k3o h ALA 84 N 0.41 -0.22 -0.58 0.04 0.00 -0.49 0.14 119.26 118.57 2k3o h ALA 84 Ca -0.20 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.54 2k3o h ALA 84 Cb 2.05 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.89 2k3o h ALA 84 CO 0.22 -0.40 0.35 0.00 0.00 0.00 0.00 179.25 179.42 2k3o h ALA 85 N 0.06 0.75 0.07 0.00 0.00 -0.61 0.08 119.26 119.61 2k3o h ALA 85 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k3o h ALA 85 Cb 0.48 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2k3o h ALA 85 CO 0.04 0.06 -0.03 0.78 0.00 0.00 0.00 179.25 180.09 2k3o h GLY 86 N 0.68 -0.10 1.01 0.00 0.00 -0.90 0.14 103.07 103.89 2k3o h GLY 86 Ca 0.24 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.57 2k3o h GLY 86 CO -0.11 -0.04 0.26 1.46 0.00 0.00 0.00 176.54 178.11 2k3o h GLN 87 N -0.20 0.95 0.18 4.80 4.20 -0.69 0.20 115.11 124.56 2k3o h GLN 87 Ca -0.01 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 2k3o h GLN 87 Cb 0.17 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2k3o h GLN 87 CO 0.02 0.80 -0.09 0.35 -0.67 0.00 0.00 178.83 179.24 2k3o h PHE 88 N 0.90 -0.22 0.00 2.96 3.04 -0.81 -0.23 116.94 122.57 2k3o h PHE 88 Ca 0.21 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.10 2k3o h PHE 88 Cb 0.20 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.78 2k3o h PHE 88 CO 0.01 -0.01 -0.26 -0.07 -2.02 0.00 0.00 178.31 175.96 2k3o h LEU 89 N -0.40 0.00 -0.13 0.59 3.38 -0.72 -0.32 115.31 117.71 2k3o h LEU 89 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2k3o h LEU 89 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2k3o h LEU 89 CO 0.04 0.26 -0.03 0.00 0.09 0.00 0.00 178.44 178.80 2k3o h ALA 90 N 1.74 0.18 0.00 1.53 0.00 -0.80 -0.25 119.26 121.66 2k3o h ALA 90 Ca -0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 2k3o h ALA 90 Cb 0.58 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2k3o h ALA 90 CO 0.03 -0.08 -0.40 1.79 0.00 0.00 0.00 179.25 180.60 2k3o h THR 91 N -0.06 1.17 0.00 0.00 1.35 -0.69 -1.58 112.91 113.10 2k3o h THR 91 Ca 0.03 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 2k3o h THR 91 Cb 0.45 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 2k3o h THR 91 CO 0.01 0.39 0.00 0.00 -0.25 0.00 0.00 175.52 175.68 2k3o n GLN 92 N -3.89 0.01 -1.75 4.72 1.13 -0.16 -4.94 117.38 112.50 2k3o n GLN 92 Ca -0.01 0.12 -0.19 0.00 -1.94 0.00 0.00 57.00 54.98 2k3o n GLN 92 Cb 0.45 -1.51 -0.06 0.00 0.11 0.00 0.00 30.24 29.23 2k3o n GLN 92 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k3o n GLY 93 N 0.83 1.24 0.27 1.08 0.00 -0.60 -4.90 105.19 103.10 2k3o n GLY 93 Ca 0.05 -0.12 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 2k3o n GLY 93 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k3o h VAL 94 N 0.00 1.26 -2.91 1.61 2.07 -1.32 -3.43 116.25 113.53 2k3o h VAL 94 Ca -0.40 -1.23 -0.52 0.00 0.82 0.00 0.00 66.70 65.37 2k3o h VAL 94 Cb 1.24 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 2k3o h VAL 94 CO 0.55 0.42 -0.26 -1.48 0.02 0.00 0.00 177.57 176.81 2k3o s LEU 95 N -8.96 4.15 0.02 2.57 0.05 -1.18 -5.05 118.68 110.29 2k3o s LEU 95 Ca -0.09 0.48 -0.13 0.00 0.05 0.00 0.00 54.13 54.45 2k3o s LEU 95 Cb 0.14 -3.28 0.02 0.00 -2.05 0.00 0.00 46.19 41.01 2k3o s LEU 95 CO 0.82 -0.12 0.27 0.20 -0.55 0.00 0.00 176.35 176.97 2k3o s ASN 96 N -3.31 -0.10 0.66 1.48 0.01 -1.26 -4.85 114.94 107.57 2k3o s ASN 96 Ca 0.40 -0.13 0.28 0.00 -0.71 0.00 0.00 52.86 52.70 2k3o s ASN 96 Cb -0.11 0.31 1.54 0.00 0.41 0.00 0.00 41.25 43.41 2k3o s ASN 96 CO 0.30 -0.52 1.87 0.00 -1.51 0.00 0.00 177.10 177.24 2k3o h ALA 97 N 3.59 1.39 -0.87 0.60 0.00 -1.98 0.27 119.26 122.25 2k3o h ALA 97 Ca -0.31 -0.00 0.20 0.00 0.00 0.00 0.00 54.91 54.80 2k3o h ALA 97 Cb 1.19 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.82 2k3o h ALA 97 CO 0.44 -0.38 -0.10 0.28 0.00 0.00 0.00 179.25 179.49 2k3o h VAL 98 N 0.00 0.15 0.00 0.00 2.07 -2.02 -3.38 116.25 113.07 2k3o h VAL 98 Ca 0.00 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2k3o h VAL 98 Cb 0.75 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 2k3o h VAL 98 CO -0.00 0.01 -0.13 -0.46 0.02 0.00 0.00 177.57 177.01 2k3o n ASN 99 N -5.49 -0.44 -0.34 0.57 2.04 -0.49 -5.00 115.26 106.11 2k3o n ASN 99 Ca 0.16 -1.42 0.10 0.00 -0.44 0.00 0.00 54.58 52.98 2k3o n ASN 99 Cb 0.53 0.13 0.30 0.00 -2.53 0.00 0.00 39.78 38.21 2k3o n ASN 99 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2k3o h ALA 100 N 0.00 1.64 0.73 -2.53 0.00 -0.71 0.13 119.26 118.52 2k3o h ALA 100 Ca -0.25 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2k3o h ALA 100 Cb 1.16 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.82 2k3o h ALA 100 CO -0.13 0.06 -0.35 0.66 0.00 0.00 0.00 179.25 179.50 2k3o h SER 101 N 0.85 -0.83 -0.88 0.00 4.64 -1.83 -3.01 113.55 112.50 2k3o h SER 101 Ca 0.52 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.98 2k3o h SER 101 Cb 0.69 0.21 -0.07 0.00 -0.31 0.00 0.00 62.40 62.93 2k3o h SER 101 CO -0.30 -0.49 0.57 0.28 -0.87 0.00 0.00 176.83 176.02 2k3o h SER 102 N -1.15 0.66 0.70 4.97 0.02 -1.65 0.64 113.55 117.74 2k3o h SER 102 Ca -0.10 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 2k3o h SER 102 Cb 0.77 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 2k3o h SER 102 CO 0.16 0.34 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.00 2k3o h LEU 103 N 0.70 0.00 -0.38 5.07 3.38 -0.84 -2.42 115.31 120.81 2k3o h LEU 103 Ca 0.44 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.44 2k3o h LEU 103 Cb 0.68 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 2k3o h LEU 103 CO -0.20 0.13 0.17 1.23 0.09 0.00 0.00 178.44 179.86 2k3o h GLY 104 N 1.52 0.51 1.30 0.83 0.00 -0.72 -0.66 103.07 105.85 2k3o h GLY 104 Ca -0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 2k3o h GLY 104 CO 0.02 0.07 0.22 1.76 0.00 0.00 0.00 176.54 178.61 2k3o h SER 105 N 0.36 0.82 -0.24 0.19 0.02 -1.47 -0.17 113.55 113.06 2k3o h SER 105 Ca 0.17 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2k3o h SER 105 Cb 0.10 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2k3o h SER 105 CO -0.14 0.75 0.10 0.00 -1.14 0.00 0.00 176.83 176.40 2k3o h ALA 106 N 1.37 0.31 -0.56 3.77 0.00 -0.97 0.72 119.26 123.91 2k3o h ALA 106 Ca 0.20 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2k3o h ALA 106 Cb 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2k3o h ALA 106 CO -0.02 -0.10 -0.01 1.25 0.00 0.00 0.00 179.25 180.38 2k3o h LEU 107 N 0.24 0.97 -1.30 0.00 6.46 -1.11 -2.37 115.31 118.20 2k3o h LEU 107 Ca 0.08 -0.31 -0.03 0.00 -0.12 0.00 0.00 57.88 57.50 2k3o h LEU 107 Cb 0.18 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 39.82 2k3o h LEU 107 CO -0.01 1.04 0.11 0.00 -0.62 0.00 0.00 178.44 178.97 2k3o h ALA 108 N 0.96 1.44 -0.47 1.25 0.00 -0.83 0.01 119.26 121.63 2k3o h ALA 108 Ca 0.16 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2k3o h ALA 108 Cb 0.55 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2k3o h ALA 108 CO 0.03 0.41 -0.08 -0.91 0.00 0.00 0.00 179.25 178.70 2k3o h ASN 109 N 0.58 0.83 -0.22 0.00 2.35 -0.77 0.20 115.58 118.56 2k3o h ASN 109 Ca 0.14 -0.24 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 2k3o h ASN 109 Cb 0.20 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2k3o h ASN 109 CO -0.01 0.94 0.06 0.00 -1.65 0.00 0.00 177.43 176.77 2k3o h ALA 110 N 1.14 0.29 -0.18 -0.83 0.00 -0.75 0.53 119.26 119.46 2k3o h ALA 110 Ca 0.13 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2k3o h ALA 110 Cb 0.57 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2k3o h ALA 110 CO 0.04 -0.08 -0.29 -0.07 0.00 0.00 0.00 179.25 178.85 2k3o h LEU 111 N 0.17 0.34 -0.29 0.00 3.38 -1.02 -2.28 115.31 115.60 2k3o h LEU 111 Ca 0.07 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2k3o h LEU 111 Cb 0.26 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2k3o h LEU 111 CO -0.00 0.62 0.09 -1.28 0.09 0.00 0.00 178.44 177.96 2k3o h SER 112 N 0.30 0.43 -0.44 -0.43 0.87 -0.37 0.49 113.55 114.39 2k3o h SER 112 Ca 0.04 -0.21 0.04 0.00 -1.23 0.00 0.00 61.79 60.43 2k3o h SER 112 Cb 0.66 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 2k3o h SER 112 CO 0.05 0.52 0.30 0.44 -0.53 0.00 0.00 176.83 177.60 2k3o h ASP 113 N 0.31 0.39 0.12 6.23 3.32 -0.81 0.16 116.42 126.15 2k3o h ASP 113 Ca 0.09 -0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.92 2k3o h ASP 113 Cb 0.25 -0.09 0.02 0.00 0.22 0.00 0.00 39.33 39.73 2k3o h ASP 113 CO -0.00 0.27 -0.94 -1.28 -1.72 0.00 0.00 179.24 175.56 2k3o h SER 114 N 0.45 0.61 -0.31 6.45 0.87 -0.96 -0.59 113.55 120.07 2k3o h SER 114 Ca 0.18 -0.89 -0.06 0.00 -1.23 0.00 0.00 61.79 59.80 2k3o h SER 114 Cb 0.16 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2k3o h SER 114 CO -0.04 1.44 -0.02 0.00 -0.53 0.00 0.00 176.83 177.68 2k3o h ALA 115 N 0.18 0.42 -0.01 6.23 0.00 -0.88 -2.91 119.26 122.29 2k3o h ALA 115 Ca -0.15 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2k3o h ALA 115 Cb 1.70 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 2k3o h ALA 115 CO 0.18 0.20 0.01 0.00 0.00 0.00 0.00 179.25 179.64 2k3o h ALA 116 N 0.83 1.74 0.40 0.00 0.00 -0.74 -0.37 119.26 121.12 2k3o h ALA 116 Ca 0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2k3o h ALA 116 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2k3o h ALA 116 CO 0.02 -0.02 -0.19 -0.91 0.00 0.00 0.00 179.25 178.15 2k3o h ASN 117 N 0.00 -0.45 -0.64 0.00 2.35 -0.89 0.14 115.58 116.08 2k3o h ASN 117 Ca 0.01 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.60 2k3o h ASN 117 Cb 0.02 0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 2k3o h ASN 117 CO -0.00 -0.16 0.17 -1.28 -1.65 0.00 0.00 177.43 174.51 2k3o h SER 118 N -0.75 0.96 0.07 5.81 0.87 -1.48 -2.70 113.55 116.33 2k3o h SER 118 Ca -0.05 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 2k3o h SER 118 Cb 0.52 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2k3o h SER 118 CO 0.09 0.94 -0.03 0.00 -0.53 0.00 0.00 176.83 177.30 2k3o h ALA 119 N 1.06 1.53 0.00 6.23 0.00 -1.02 -1.93 119.26 125.14 2k3o h ALA 119 Ca 0.20 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2k3o h ALA 119 Cb 0.34 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2k3o h ALA 119 CO -0.00 0.04 -0.27 -0.24 0.00 0.00 0.00 179.25 178.77 2k3o h VAL 120 N 0.00 0.98 0.00 0.00 3.04 -0.37 -2.92 116.25 116.98 2k3o h VAL 120 Ca -0.00 -1.01 0.00 0.00 -1.01 0.00 0.00 66.70 64.68 2k3o h VAL 120 Cb 0.07 1.58 0.00 0.00 -2.01 0.00 0.00 31.29 30.93 2k3o h VAL 120 CO 0.00 0.27 0.00 0.28 -1.01 0.00 0.00 177.57 177.11 2k3o h SER 121 N 0.00 0.00 0.00 3.17 0.02 -1.39 -3.47 113.55 111.88 2k3o h SER 121 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3o h SER 121 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2k3o h SER 121 CO 0.04 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.34 2k3o n GLY 122 N -0.72 0.96 0.00 -3.77 0.00 -1.11 -4.59 105.19 95.96 2k3o n GLY 122 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 2k3o n GLY 122 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k3o n ASN 123 N 1.91 0.00 -0.30 1.61 0.23 -1.26 -3.68 115.26 113.77 2k3o n ASN 123 Ca 0.00 -0.24 0.12 0.00 -0.53 0.00 0.00 54.58 53.93 2k3o n ASN 123 Cb 0.00 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.06 2k3o n ASN 123 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 2k3o h TYR 124 N 0.00 0.89 -0.16 -2.53 -0.00 -1.81 -1.97 116.97 111.40 2k3o h TYR 124 Ca 0.00 0.03 -0.08 0.00 0.00 0.00 0.00 58.73 58.67 2k3o h TYR 124 Cb 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 36.73 36.40 2k3o h TYR 124 CO 0.00 0.30 0.11 1.47 -0.00 0.00 0.00 178.16 180.03 2k3o n LEU 125 N -4.61 3.76 0.00 0.10 -0.00 -1.24 -4.83 117.00 110.18 2k3o n LEU 125 Ca 0.19 -1.90 0.00 0.00 -0.00 0.00 0.00 56.01 54.30 2k3o n LEU 125 Cb 0.50 -0.60 0.00 0.00 -0.00 0.00 0.00 43.42 43.32 2k3o n LEU 125 CO 0.28 0.63 0.00 0.61 -0.00 0.00 0.00 177.39 178.90 2k3o n GLY 126 N 0.31 2.05 3.52 1.47 0.00 -0.74 -4.88 105.19 106.91 2k3o n GLY 126 Ca 0.10 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 2k3o n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3o s VAL 127 N -0.08 0.00 0.25 1.61 0.11 -1.22 -4.88 120.40 116.18 2k3o s VAL 127 Ca 0.00 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 58.85 2k3o s VAL 127 Cb 0.00 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2k3o s VAL 127 CO 0.00 0.00 0.66 -0.55 -3.33 0.00 0.00 175.10 171.88 2k3o s SER 128 N -1.24 -0.28 -0.40 3.54 0.15 -1.26 -4.73 113.70 109.48 2k3o s SER 128 Ca -0.10 -0.55 0.04 0.00 0.70 0.00 0.00 55.95 56.04 2k3o s SER 128 Cb -0.00 0.68 0.16 0.00 -1.71 0.00 0.00 66.02 65.15 2k3o s SER 128 CO 0.08 -1.25 0.43 -1.58 1.20 0.00 0.00 173.24 172.13 2k3o s GLN 129 N -3.90 0.74 0.00 5.44 -0.44 -1.26 -4.66 119.66 115.58 2k3o s GLN 129 Ca 0.11 -0.99 0.00 0.00 -2.50 0.00 0.00 55.36 51.98 2k3o s GLN 129 Cb -0.04 -0.66 0.00 0.00 -1.64 0.00 0.00 33.01 30.67 2k3o s GLN 129 CO 0.04 -1.24 0.00 0.27 0.50 0.00 0.00 175.29 174.86