#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3o h TYR 3 N 0.00 0.74 -0.44 1.43 0.05 -1.98 -2.54 116.97 114.22 2k3o h TYR 3 Ca 0.00 -0.49 -0.05 0.00 0.05 0.00 0.00 58.73 58.24 2k3o h TYR 3 Cb 0.00 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 2k3o h TYR 3 CO 0.00 1.36 0.08 0.66 -1.05 0.00 0.00 178.16 179.20 2k3o h SER 4 N -0.09 0.70 -0.54 3.88 4.64 -1.94 0.08 113.55 120.27 2k3o h SER 4 Ca -0.16 -0.26 -0.07 0.00 -0.47 0.00 0.00 61.79 60.84 2k3o h SER 4 Cb 1.72 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 63.60 2k3o h SER 4 CO 0.18 0.77 0.10 0.28 -0.87 0.00 0.00 176.83 177.30 2k3o h SER 5 N 0.59 0.89 -0.18 4.97 0.02 -1.98 0.59 113.55 118.45 2k3o h SER 5 Ca 0.13 -0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 60.81 2k3o h SER 5 Cb 0.37 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 2k3o h SER 5 CO 0.01 0.89 -0.23 0.00 -1.14 0.00 0.00 176.83 176.35 2k3o h ALA 6 N 1.22 0.27 0.01 3.77 0.00 -1.29 0.40 119.26 123.63 2k3o h ALA 6 Ca 0.18 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.73 2k3o h ALA 6 Cb 0.38 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2k3o h ALA 6 CO 0.01 0.23 -0.07 0.35 0.00 0.00 0.00 179.25 179.77 2k3o h PHE 7 N 0.12 -0.16 0.00 0.00 3.57 -0.95 -2.13 116.94 117.38 2k3o h PHE 7 Ca 0.02 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2k3o h PHE 7 Cb 0.80 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 2k3o h PHE 7 CO 0.09 -0.10 -0.11 0.00 -2.23 0.00 0.00 178.31 175.96 2k3o h ALA 8 N 0.86 1.65 0.30 2.41 0.00 -0.87 0.96 119.26 124.58 2k3o h ALA 8 Ca 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2k3o h ALA 8 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2k3o h ALA 8 CO -0.06 0.13 -0.15 1.96 0.00 0.00 0.00 179.25 181.13 2k3o h GLN 9 N 0.00 -0.39 -0.47 0.00 4.20 -0.48 0.12 115.11 118.09 2k3o h GLN 9 Ca -0.00 0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 2k3o h GLN 9 Cb 0.21 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2k3o h GLN 9 CO 0.01 -0.08 -0.15 0.00 -0.67 0.00 0.00 178.83 177.94 2k3o h ALA 10 N -0.18 0.85 0.22 3.87 0.00 -1.23 -0.57 119.26 122.22 2k3o h ALA 10 Ca -0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2k3o h ALA 10 Cb 0.49 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2k3o h ALA 10 CO 0.07 0.64 -0.11 0.00 0.00 0.00 0.00 179.25 179.86 2k3o h ALA 11 N 1.03 -0.30 -0.92 0.00 0.00 -0.86 0.12 119.26 118.33 2k3o h ALA 11 Ca 0.12 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2k3o h ALA 11 Cb 0.68 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 2k3o h ALA 11 CO 0.05 -0.65 0.57 0.77 0.00 0.00 0.00 179.25 179.99 2k3o h SER 12 N -0.34 0.87 0.02 0.00 0.02 -0.64 0.14 113.55 113.63 2k3o h SER 12 Ca -0.03 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3o h SER 12 Cb 0.26 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2k3o h SER 12 CO 0.05 0.52 -0.01 -1.28 -1.14 0.00 0.00 176.83 174.96 2k3o h SER 13 N 0.98 -0.03 0.96 3.07 0.87 -0.95 0.06 113.55 118.52 2k3o h SER 13 Ca 0.43 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2k3o h SER 13 Cb 0.30 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 2k3o h SER 13 CO -0.22 0.30 0.00 0.28 -0.53 0.00 0.00 176.83 176.66 2k3o h SER 14 N -0.35 0.00 0.21 6.23 0.02 -0.66 -2.88 113.55 116.13 2k3o h SER 14 Ca -0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 2k3o h SER 14 Cb 0.34 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.83 2k3o h SER 14 CO 0.01 0.00 -2.05 0.00 -1.14 0.00 0.00 176.83 173.65 2k3o n LEU 15 N -2.41 0.32 0.18 5.07 -0.00 0.48 -4.20 117.00 116.43 2k3o n LEU 15 Ca 0.03 0.15 0.04 0.00 -0.00 0.00 0.00 56.01 56.22 2k3o n LEU 15 Cb 0.29 0.30 0.43 0.00 -0.00 0.00 0.00 43.42 44.45 2k3o n LEU 15 CO 0.23 0.36 0.86 0.00 -0.00 0.00 0.00 177.39 178.84 2k3o h ALA 16 N 1.19 1.57 0.00 1.47 0.00 -0.78 -0.73 119.26 121.98 2k3o h ALA 16 Ca -0.37 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2k3o h ALA 16 Cb 1.94 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.68 2k3o h ALA 16 CO 0.04 0.32 0.00 0.25 0.00 0.00 0.00 179.25 179.86 2k3o n THR 17 N -4.26 0.00 -3.46 0.00 -2.24 -1.10 -4.45 114.28 98.77 2k3o n THR 17 Ca -0.02 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.40 2k3o n THR 17 Cb 0.29 -0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 68.02 2k3o n THR 17 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2k3o n SER 18 N -0.91 4.63 0.04 3.42 7.64 -0.28 -4.92 113.62 123.23 2k3o n SER 18 Ca 0.18 -3.25 0.22 0.00 1.01 0.00 0.00 58.87 57.03 2k3o n SER 18 Cb 0.08 -1.04 0.73 0.00 -1.01 0.00 0.00 64.21 62.97 2k3o n SER 18 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k3o h SER 19 N 5.55 0.00 -0.57 6.43 0.02 -1.78 0.40 113.55 123.60 2k3o h SER 19 Ca 0.18 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 2k3o h SER 19 Cb 0.74 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.26 2k3o h SER 19 CO 0.96 0.00 0.21 0.00 -1.14 0.00 0.00 176.83 176.85 2k3o h ALA 20 N 1.46 1.22 0.07 3.77 0.00 -1.93 0.55 119.26 124.40 2k3o h ALA 20 Ca 0.24 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2k3o h ALA 20 Cb 1.25 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2k3o h ALA 20 CO -0.00 0.56 -0.04 0.82 0.00 0.00 0.00 179.25 180.59 2k3o h ILE 21 N 0.89 1.07 -0.81 0.00 2.04 -1.24 -0.70 117.51 118.77 2k3o h ILE 21 Ca 0.20 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2k3o h ILE 21 Cb 0.23 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 2k3o h ILE 21 CO -0.01 0.13 0.52 0.28 0.00 0.00 0.00 178.15 179.06 2k3o h SER 22 N -0.33 0.95 -0.52 1.72 0.02 -1.40 -1.96 113.55 112.04 2k3o h SER 22 Ca -0.01 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 2k3o h SER 22 Cb 0.28 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 2k3o h SER 22 CO 0.02 0.71 0.11 0.03 -1.14 0.00 0.00 176.83 176.55 2k3o h ARG 23 N 1.11 0.84 -0.85 3.45 3.08 -0.90 -0.95 114.38 120.16 2k3o h ARG 23 Ca 0.29 -0.21 0.06 0.00 0.07 0.00 0.00 59.98 60.19 2k3o h ARG 23 Cb -0.09 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 29.80 2k3o h ARG 23 CO -0.06 0.82 0.56 0.00 -1.07 0.00 0.00 179.97 180.21 2k3o h ALA 24 N 0.99 1.56 -0.01 0.04 0.00 -0.62 0.15 119.26 121.37 2k3o h ALA 24 Ca 0.16 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 2k3o h ALA 24 Cb 0.37 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2k3o h ALA 24 CO 0.01 0.32 -0.80 0.74 0.00 0.00 0.00 179.25 179.51 2k3o h PHE 25 N 0.96 0.21 0.00 0.00 0.04 -1.23 -3.15 116.94 113.78 2k3o h PHE 25 Ca 0.36 -0.11 -0.16 0.00 2.80 0.00 0.00 57.97 60.87 2k3o h PHE 25 Cb 0.20 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 2k3o h PHE 25 CO -0.00 0.88 -0.76 0.00 -0.60 0.00 0.00 178.31 177.83 2k3o h ALA 26 N 1.08 0.62 -0.18 2.45 0.00 -0.51 -3.28 119.26 119.44 2k3o h ALA 26 Ca -0.03 -0.69 -0.09 0.00 0.00 0.00 0.00 54.91 54.11 2k3o h ALA 26 Cb 1.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2k3o h ALA 26 CO 0.12 0.95 -0.27 0.77 0.00 0.00 0.00 179.25 180.81 2k3o h SER 27 N 0.00 0.34 -3.34 0.00 0.02 -0.78 -3.42 113.55 106.36 2k3o h SER 27 Ca -0.01 -0.11 -0.60 0.00 -0.84 0.00 0.00 61.79 60.24 2k3o h SER 27 Cb 1.46 -0.09 -0.09 0.00 0.14 0.00 0.00 62.40 63.81 2k3o h SER 27 CO 0.10 0.61 0.36 0.68 -1.14 0.00 0.00 176.83 177.44 2k3o s VAL 28 N -4.44 4.89 -0.16 2.27 -7.23 -1.19 -4.94 120.40 109.60 2k3o s VAL 28 Ca -0.06 1.44 0.14 0.00 -1.81 0.00 0.00 61.98 61.69 2k3o s VAL 28 Cb 0.14 -4.06 0.42 0.00 0.56 0.00 0.00 36.38 33.44 2k3o s VAL 28 CO 0.77 -0.03 1.21 -1.20 -0.31 0.00 0.00 175.10 175.54 2k3o n SER 29 N 5.79 1.61 -3.79 4.85 7.64 -1.26 -4.48 113.62 123.98 2k3o n SER 29 Ca 0.03 -3.46 -0.13 0.00 1.01 0.00 0.00 58.87 56.33 2k3o n SER 29 Cb 0.48 -0.47 -0.13 0.00 -1.01 0.00 0.00 64.21 63.08 2k3o n SER 29 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2k3o s SER 30 N -2.97 -0.18 0.35 6.43 0.01 -1.26 -4.71 113.70 111.37 2k3o s SER 30 Ca 0.37 0.36 0.03 0.00 1.31 0.00 0.00 55.95 58.03 2k3o s SER 30 Cb 0.38 0.34 0.65 0.00 0.21 0.00 0.00 66.02 67.60 2k3o s SER 30 CO -0.09 -0.08 1.98 0.00 0.41 0.00 0.00 173.24 175.46 2k3o h ALA 31 N 6.19 1.52 -0.46 1.44 0.00 -1.95 0.12 119.26 126.13 2k3o h ALA 31 Ca -0.29 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 2k3o h ALA 31 Cb 1.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2k3o h ALA 31 CO 0.40 0.40 -0.21 0.77 0.00 0.00 0.00 179.25 180.61 2k3o h SER 32 N 0.73 0.98 -0.34 0.00 0.02 -1.97 0.76 113.55 113.74 2k3o h SER 32 Ca 0.19 -0.40 -0.05 0.00 -0.84 0.00 0.00 61.79 60.69 2k3o h SER 32 Cb 0.02 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 2k3o h SER 32 CO -0.03 1.16 0.03 0.00 -1.14 0.00 0.00 176.83 176.85 2k3o h ALA 33 N 0.85 0.45 -0.46 3.77 0.00 -1.83 -0.62 119.26 121.44 2k3o h ALA 33 Ca 0.10 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2k3o h ALA 33 Cb 0.79 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2k3o h ALA 33 CO 0.07 0.18 -0.18 0.00 0.00 0.00 0.00 179.25 179.31 2k3o h ALA 34 N 0.88 0.82 -0.00 0.00 0.00 -1.01 0.11 119.26 120.05 2k3o h ALA 34 Ca 0.10 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.68 2k3o h ALA 34 Cb 0.40 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2k3o h ALA 34 CO 0.01 0.65 -0.32 1.03 0.00 0.00 0.00 179.25 180.62 2k3o h SER 35 N 0.78 -0.96 0.21 0.00 0.87 -0.79 -0.31 113.55 113.35 2k3o h SER 35 Ca 0.11 0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 2k3o h SER 35 Cb 0.72 0.39 -0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2k3o h SER 35 CO 0.06 -0.38 -0.14 -1.28 -0.53 0.00 0.00 176.83 174.56 2k3o h SER 36 N -0.47 0.00 0.28 6.23 0.87 -0.82 0.16 113.55 119.80 2k3o h SER 36 Ca 0.06 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2k3o h SER 36 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2k3o h SER 36 CO -0.27 0.14 -0.14 0.25 -0.53 0.00 0.00 176.83 176.28 2k3o h LEU 37 N 0.00 -0.32 -1.93 2.23 7.12 -0.36 0.51 115.31 122.56 2k3o h LEU 37 Ca -0.00 -0.21 -0.02 0.00 0.13 0.00 0.00 57.88 57.78 2k3o h LEU 37 Cb 0.28 0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 40.49 2k3o h LEU 37 CO 0.02 0.09 -0.12 0.00 -0.13 0.00 0.00 178.44 178.31 2k3o h ALA 38 N -0.30 1.48 0.18 1.25 0.00 -0.87 0.13 119.26 121.13 2k3o h ALA 38 Ca -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2k3o h ALA 38 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k3o h ALA 38 CO 0.06 0.14 -0.09 -0.92 0.00 0.00 0.00 179.25 178.45 2k3o h TYR 39 N 0.00 -0.22 -0.36 0.00 3.20 -0.61 0.66 116.97 119.63 2k3o h TYR 39 Ca -0.00 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 2k3o h TYR 39 Cb 0.26 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2k3o h TYR 39 CO 0.00 0.06 0.07 -0.97 -1.64 0.00 0.00 178.16 175.68 2k3o h ASN 40 N -0.50 0.56 -0.26 -2.11 -0.73 -0.29 0.31 115.58 112.56 2k3o h ASN 40 Ca -0.02 -0.25 -0.00 0.00 1.87 0.00 0.00 56.30 57.89 2k3o h ASN 40 Cb 0.38 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.81 2k3o h ASN 40 CO 0.04 0.67 0.15 0.40 -0.37 0.00 0.00 177.43 178.32 2k3o h ILE 41 N 0.43 1.10 -0.58 2.57 2.04 -0.85 -1.44 117.51 120.78 2k3o h ILE 41 Ca 0.11 -0.24 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 2k3o h ILE 41 Cb 0.34 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 2k3o h ILE 41 CO 0.00 0.10 0.03 1.23 0.00 0.00 0.00 178.15 179.51 2k3o h GLY 42 N 0.32 1.05 0.98 5.37 0.00 -0.76 -2.38 103.07 107.65 2k3o h GLY 42 Ca 0.09 -0.72 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 2k3o h GLY 42 CO -0.02 0.67 0.19 1.41 0.00 0.00 0.00 176.54 178.79 2k3o h LEU 43 N 0.90 0.77 -0.57 3.11 3.38 -0.23 0.14 115.31 122.82 2k3o h LEU 43 Ca 0.17 -0.19 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 2k3o h LEU 43 Cb 0.48 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2k3o h LEU 43 CO 0.02 0.76 -0.61 -1.28 0.09 0.00 0.00 178.44 177.42 2k3o h SER 44 N 0.74 0.42 0.00 -0.43 0.87 -1.17 0.78 113.55 114.77 2k3o h SER 44 Ca 0.18 -0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2k3o h SER 44 Cb 0.25 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2k3o h SER 44 CO -0.01 0.93 -0.00 0.00 -0.53 0.00 0.00 176.83 177.22 2k3o h ALA 45 N 1.07 -0.01 -0.30 6.23 0.00 -1.37 -2.58 119.26 122.31 2k3o h ALA 45 Ca -0.01 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2k3o h ALA 45 Cb 1.13 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2k3o h ALA 45 CO 0.10 -0.41 0.13 0.00 0.00 0.00 0.00 179.25 179.07 2k3o h ALA 46 N 0.80 0.35 -0.46 0.00 0.00 -0.52 -0.99 119.26 118.44 2k3o h ALA 46 Ca -0.00 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2k3o h ALA 46 Cb 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2k3o h ALA 46 CO 0.00 -0.27 -0.17 0.07 0.00 0.00 0.00 179.25 178.88 2k3o h ARG 47 N 0.27 0.90 0.00 0.00 0.11 -0.92 -0.28 114.38 114.46 2k3o h ARG 47 Ca 0.13 -0.35 -0.07 0.00 0.10 0.00 0.00 59.98 59.79 2k3o h ARG 47 Cb 0.07 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.09 2k3o h ARG 47 CO -0.11 1.00 -0.34 0.77 0.10 0.00 0.00 179.97 181.39 2k3o h SER 48 N 0.79 0.00 0.10 0.08 0.02 -1.28 -2.42 113.55 110.85 2k3o h SER 48 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2k3o h SER 48 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2k3o h SER 48 CO 0.05 0.34 -0.12 0.18 -1.14 0.00 0.00 176.83 176.14 2k3o n LEU 49 N -3.82 1.29 -1.75 5.07 4.77 -0.39 -4.99 117.00 117.18 2k3o n LEU 49 Ca -0.01 -0.39 -0.15 0.00 -0.03 0.00 0.00 56.01 55.43 2k3o n LEU 49 Cb 0.42 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.44 2k3o n LEU 49 CO 0.37 0.22 -0.18 0.61 -1.33 0.00 0.00 177.39 177.08 2k3o n GLY 50 N 1.25 -0.25 3.70 -0.72 0.00 -0.23 -4.98 105.19 103.96 2k3o n GLY 50 Ca 0.16 -0.25 -0.44 0.00 0.00 0.00 0.00 46.02 45.50 2k3o n GLY 50 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k3o n ILE 51 N -4.02 1.02 1.32 -0.61 2.08 -0.52 -4.90 119.36 113.72 2k3o n ILE 51 Ca -0.17 -0.25 0.00 0.00 0.56 0.00 0.00 62.75 62.88 2k3o n ILE 51 Cb 0.63 -1.66 0.00 0.00 -0.75 0.00 0.00 39.64 37.86 2k3o n ILE 51 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2k3o n ALA 52 N 1.93 2.42 -2.68 -1.39 0.00 -1.26 -3.80 120.51 115.73 2k3o n ALA 52 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.49 2k3o n ALA 52 Cb 0.34 -1.00 0.09 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.19 -1.55 -0.36 0.00 7.64 -1.26 -5.05 113.62 112.85 2k3o n SER 53 Ca 0.00 -2.17 0.07 0.00 1.01 0.00 0.00 58.87 57.78 2k3o n SER 53 Cb 0.14 1.13 0.25 0.00 -1.01 0.00 0.00 64.21 64.71 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 2.86 0.91 -0.74 6.43 3.32 -1.93 -0.82 116.42 126.45 2k3o h ASP 54 Ca -0.24 0.05 0.14 0.00 0.02 0.00 0.00 57.03 56.99 2k3o h ASP 54 Cb 1.18 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.55 2k3o h ASP 54 CO -0.03 0.48 0.49 0.00 -1.72 0.00 0.00 179.24 178.46 2k3o h THR 55 N 0.98 0.83 0.12 0.35 1.03 -1.96 0.12 112.91 114.37 2k3o h THR 55 Ca 0.50 -0.16 -0.26 0.00 -0.01 0.00 0.00 66.41 66.48 2k3o h THR 55 Cb 0.50 0.33 0.03 0.00 -1.07 0.00 0.00 68.15 67.94 2k3o h THR 55 CO -0.26 0.08 -1.10 0.00 -0.01 0.00 0.00 175.52 174.24 2k3o h ALA 56 N 1.65 -0.02 0.46 0.00 0.00 -1.57 0.12 119.26 119.89 2k3o h ALA 56 Ca 0.36 -0.74 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2k3o h ALA 56 Cb 0.76 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2k3o h ALA 56 CO -0.12 0.58 -0.22 1.25 0.00 0.00 0.00 179.25 180.74 2k3o h LEU 57 N 0.10 -0.53 -1.18 0.00 5.85 -1.21 -0.95 115.31 117.39 2k3o h LEU 57 Ca -0.17 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.51 2k3o h LEU 57 Cb 1.80 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.92 2k3o h LEU 57 CO 0.21 -0.22 0.56 0.00 -0.34 0.00 0.00 178.44 178.65 2k3o h ALA 58 N -0.42 1.47 -0.32 1.25 0.00 -1.10 -1.07 119.26 119.07 2k3o h ALA 58 Ca -0.06 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2k3o h ALA 58 Cb 0.57 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2k3o h ALA 58 CO 0.10 0.44 -0.25 0.78 0.00 0.00 0.00 179.25 180.33 2k3o h GLY 59 N 1.06 0.79 1.27 0.00 0.00 -0.94 0.60 103.07 105.85 2k3o h GLY 59 Ca 0.34 -0.78 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 2k3o h GLY 59 CO -0.10 0.70 0.01 0.00 0.00 0.00 0.00 176.54 177.15 2k3o h ALA 60 N 0.74 1.02 -0.70 3.60 0.00 -0.92 -0.05 119.26 122.95 2k3o h ALA 60 Ca 0.06 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2k3o h ALA 60 Cb 0.81 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2k3o h ALA 60 CO 0.07 0.61 0.16 -0.07 0.00 0.00 0.00 179.25 180.01 2k3o h LEU 61 N 0.82 1.08 -0.54 0.00 3.38 -1.13 -1.09 115.31 117.83 2k3o h LEU 61 Ca 0.16 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2k3o h LEU 61 Cb 0.48 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2k3o h LEU 61 CO 0.02 1.04 0.22 0.00 0.09 0.00 0.00 178.44 179.81 2k3o h ALA 62 N 1.09 0.70 -0.63 1.53 0.00 -0.62 -2.01 119.26 119.33 2k3o h ALA 62 Ca 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2k3o h ALA 62 Cb 0.39 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2k3o h ALA 62 CO 0.00 0.31 0.32 1.96 0.00 0.00 0.00 179.25 181.84 2k3o h GLN 63 N 0.74 0.88 -0.06 0.00 4.20 -0.89 -0.56 115.11 119.42 2k3o h GLN 63 Ca 0.18 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2k3o h GLN 63 Cb 0.19 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 2k3o h GLN 63 CO -0.02 0.67 0.01 0.00 -0.67 0.00 0.00 178.83 178.82 2k3o h ALA 64 N 1.47 0.07 -0.38 3.87 0.00 -0.91 -1.24 119.26 122.14 2k3o h ALA 64 Ca 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2k3o h ALA 64 Cb 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2k3o h ALA 64 CO -0.03 -0.28 0.20 0.28 0.00 0.00 0.00 179.25 179.42 2k3o h VAL 65 N -0.15 1.16 0.00 0.00 2.07 -1.29 -1.94 116.25 116.09 2k3o h VAL 65 Ca 0.02 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2k3o h VAL 65 Cb 0.28 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2k3o h VAL 65 CO 0.00 0.16 0.00 1.23 0.02 0.00 0.00 177.57 178.99 2k3o h GLY 66 N 0.49 0.00 1.84 2.17 0.00 -1.08 -2.64 103.07 103.84 2k3o h GLY 66 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.24 2k3o h GLY 66 CO -0.02 0.00 -1.05 -1.33 0.00 0.00 0.00 176.54 174.14 2k3o h GLY 67 N 0.53 0.14 0.24 4.60 0.00 -0.40 -3.34 103.07 104.85 2k3o h GLY 67 Ca 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 2k3o h GLY 67 CO 0.00 0.30 -0.00 -2.08 0.00 0.00 0.00 176.54 174.75 2k3o h VAL 68 N 0.04 1.54 0.00 4.60 2.07 -1.42 -3.51 116.25 119.57 2k3o h VAL 68 Ca -0.06 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.73 2k3o h VAL 68 Cb 1.78 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 34.25 2k3o h VAL 68 CO 0.15 0.44 0.00 0.61 0.02 0.00 0.00 177.57 178.80 2k3o n GLY 69 N 0.95 0.78 3.53 2.17 0.00 -1.18 -5.00 105.19 106.45 2k3o n GLY 69 Ca -0.09 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.44 2.83 -0.22 4.61 0.00 -1.26 -4.66 121.76 121.62 2k3o s ALA 70 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.88 2k3o s ALA 70 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.15 2k3o s ALA 70 CO 0.00 0.59 0.00 0.41 0.00 0.00 0.00 175.76 176.76 2k3o n GLY 71 N 1.64 0.54 3.68 0.00 0.00 -1.26 -4.99 105.19 104.80 2k3o n GLY 71 Ca -0.16 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.95 1.03 0.47 4.61 0.00 -1.26 -5.03 121.76 119.63 2k3o s ALA 72 Ca 0.00 -0.78 -0.24 0.00 0.00 0.00 0.00 51.96 50.95 2k3o s ALA 72 Cb 0.00 -2.95 -0.07 0.00 0.00 0.00 0.00 23.12 20.10 2k3o s ALA 72 CO 0.00 -3.10 1.26 0.45 0.00 0.00 0.00 175.76 174.37 2k3o s SER 73 N -3.92 5.98 0.27 0.00 0.15 -1.26 -4.91 113.70 110.01 2k3o s SER 73 Ca 0.69 2.53 0.01 0.00 0.70 0.00 0.00 55.95 59.88 2k3o s SER 73 Cb -0.12 -2.62 0.62 0.00 -1.71 0.00 0.00 66.02 62.19 2k3o s SER 73 CO 0.56 -1.07 1.71 0.00 1.20 0.00 0.00 173.24 175.63 2k3o h ALA 74 N 2.09 1.28 0.00 5.45 0.00 -1.90 -0.88 119.26 125.30 2k3o h ALA 74 Ca -0.50 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 2k3o h ALA 74 Cb 1.26 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2k3o h ALA 74 CO 0.60 -0.30 -0.20 1.03 0.00 0.00 0.00 179.25 180.39 2k3o h SER 75 N 0.41 0.00 -0.11 0.00 0.87 -1.95 -0.85 113.55 111.92 2k3o h SER 75 Ca 0.51 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.96 2k3o h SER 75 Cb 0.90 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 2k3o h SER 75 CO -0.49 0.20 -0.34 0.00 -0.53 0.00 0.00 176.83 175.67 2k3o h ALA 76 N 1.80 0.19 -0.46 6.23 0.00 -1.54 0.79 119.26 126.28 2k3o h ALA 76 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2k3o h ALA 76 Cb 0.37 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2k3o h ALA 76 CO 0.03 0.25 0.29 1.88 0.00 0.00 0.00 179.25 181.69 2k3o h TYR 77 N -0.01 0.59 -0.70 0.00 0.05 -1.38 -0.65 116.97 114.88 2k3o h TYR 77 Ca -0.01 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 2k3o h TYR 77 Cb 0.96 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 38.47 2k3o h TYR 77 CO 0.11 0.39 0.35 0.00 -1.05 0.00 0.00 178.16 177.96 2k3o h ALA 78 N 1.15 0.90 -0.53 3.88 0.00 -1.14 -0.83 119.26 122.69 2k3o h ALA 78 Ca 0.17 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2k3o h ALA 78 Cb -0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2k3o h ALA 78 CO -0.03 0.46 -0.12 -0.97 0.00 0.00 0.00 179.25 178.59 2k3o h ASN 79 N 0.98 1.00 -0.53 0.00 -1.24 -0.69 0.20 115.58 115.29 2k3o h ASN 79 Ca 0.24 -0.33 0.04 0.00 0.71 0.00 0.00 56.30 56.96 2k3o h ASN 79 Cb 0.11 -0.27 -0.04 0.00 0.73 0.00 0.00 38.32 38.84 2k3o h ASN 79 CO -0.03 1.12 0.28 0.00 -1.29 0.00 0.00 177.43 177.51 2k3o h ALA 80 N 0.97 0.69 -0.09 1.57 0.00 -0.77 0.85 119.26 122.47 2k3o h ALA 80 Ca 0.14 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2k3o h ALA 80 Cb 0.68 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2k3o h ALA 80 CO 0.05 -0.05 -0.24 0.82 0.00 0.00 0.00 179.25 179.82 2k3o h ILE 81 N 0.55 1.40 -0.52 0.00 2.04 -0.98 -0.05 117.51 119.95 2k3o h ILE 81 Ca 0.23 -1.57 -0.06 0.00 1.00 0.00 0.00 64.86 64.45 2k3o h ILE 81 Cb 0.12 2.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 2k3o h ILE 81 CO -0.15 0.45 0.07 0.00 0.00 0.00 0.00 178.15 178.52 2k3o h ALA 82 N 0.48 1.14 -0.16 1.87 0.00 -0.54 0.16 119.26 122.21 2k3o h ALA 82 Ca -0.00 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 2k3o h ALA 82 Cb 0.85 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2k3o h ALA 82 CO 0.05 0.57 -0.50 0.00 0.00 0.00 0.00 179.25 179.37 2k3o h ARG 83 N 0.79 0.62 -0.29 0.00 3.08 -0.89 -0.09 114.38 117.61 2k3o h ARG 83 Ca 0.16 -0.45 -0.03 0.00 0.07 0.00 0.00 59.98 59.73 2k3o h ARG 83 Cb 0.38 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 2k3o h ARG 83 CO 0.01 1.07 0.06 0.00 -1.07 0.00 0.00 179.97 180.04 2k3o h ALA 84 N 0.55 0.38 -0.60 0.04 0.00 -0.69 0.29 119.26 119.22 2k3o h ALA 84 Ca -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2k3o h ALA 84 Cb 1.12 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2k3o h ALA 84 CO 0.11 0.06 0.32 0.00 0.00 0.00 0.00 179.25 179.73 2k3o h ALA 85 N 0.88 0.77 -0.33 0.00 0.00 -0.80 -0.62 119.26 119.16 2k3o h ALA 85 Ca 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2k3o h ALA 85 Cb 0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2k3o h ALA 85 CO 0.00 0.29 0.11 0.78 0.00 0.00 0.00 179.25 180.44 2k3o h GLY 86 N 0.81 0.55 1.15 0.00 0.00 -0.74 0.41 103.07 105.25 2k3o h GLY 86 Ca 0.21 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 2k3o h GLY 86 CO -0.03 0.30 0.31 1.46 0.00 0.00 0.00 176.54 178.58 2k3o h GLN 87 N 0.38 1.09 -0.07 4.80 4.20 -0.43 0.14 115.11 125.21 2k3o h GLN 87 Ca 0.11 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 2k3o h GLN 87 Cb 0.24 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 2k3o h GLN 87 CO -0.00 0.87 0.03 0.35 -0.67 0.00 0.00 178.83 179.41 2k3o h PHE 88 N 1.07 0.10 0.00 2.96 3.04 -0.78 -0.75 116.94 122.58 2k3o h PHE 88 Ca 0.25 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.17 2k3o h PHE 88 Cb 0.17 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 38.65 2k3o h PHE 88 CO 0.02 0.18 -0.12 -0.07 -2.02 0.00 0.00 178.31 176.29 2k3o h LEU 89 N -0.00 0.00 0.06 0.59 3.38 -0.75 -0.16 115.31 118.43 2k3o h LEU 89 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2k3o h LEU 89 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2k3o h LEU 89 CO -0.00 0.12 -0.03 0.00 0.09 0.00 0.00 178.44 178.62 2k3o h ALA 90 N 1.88 -0.09 0.00 1.53 0.00 -0.43 0.01 119.26 122.16 2k3o h ALA 90 Ca -0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2k3o h ALA 90 Cb 0.51 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2k3o h ALA 90 CO 0.02 -0.38 -0.51 1.79 0.00 0.00 0.00 179.25 180.17 2k3o h THR 91 N -0.43 1.28 0.00 0.00 1.35 -0.81 -1.80 112.91 112.50 2k3o h THR 91 Ca -0.01 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.06 2k3o h THR 91 Cb 0.37 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 2k3o h THR 91 CO 0.01 0.50 0.00 0.00 -0.25 0.00 0.00 175.52 175.78 2k3o n GLN 92 N -3.81 0.04 -1.37 4.72 1.13 -0.10 -4.93 117.38 113.07 2k3o n GLN 92 Ca -0.01 0.15 -0.13 0.00 -1.94 0.00 0.00 57.00 55.07 2k3o n GLN 92 Cb 0.54 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.34 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 0.54 1.35 0.16 1.08 0.00 -0.68 -4.91 105.19 102.74 2k3o n GLY 93 Ca 0.06 -0.39 0.03 0.00 0.00 0.00 0.00 46.02 45.72 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 1.05 -3.14 1.61 2.07 -1.25 -3.43 116.25 113.16 2k3o h VAL 94 Ca -0.26 -1.86 -0.54 0.00 0.82 0.00 0.00 66.70 64.86 2k3o h VAL 94 Cb 0.86 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 2k3o h VAL 94 CO 0.38 0.47 0.63 -0.76 0.02 0.00 0.00 177.57 178.32 2k3o s LEU 95 N -7.07 4.32 -0.01 2.57 1.43 -0.92 -4.94 118.68 114.06 2k3o s LEU 95 Ca 0.00 1.89 -0.02 0.00 -1.03 0.00 0.00 54.13 54.97 2k3o s LEU 95 Cb 0.11 -3.57 -0.00 0.00 0.03 0.00 0.00 46.19 42.76 2k3o s LEU 95 CO 0.72 -0.53 0.05 0.20 0.23 0.00 0.00 176.35 177.02 2k3o s ASN 96 N 1.31 0.02 0.36 2.29 0.01 -1.26 -4.96 114.94 112.71 2k3o s ASN 96 Ca 0.57 -0.07 0.21 0.00 -0.71 0.00 0.00 52.86 52.86 2k3o s ASN 96 Cb -0.26 0.12 1.15 0.00 0.41 0.00 0.00 41.25 42.67 2k3o s ASN 96 CO 0.25 -0.13 1.62 0.00 -1.51 0.00 0.00 177.10 177.33 2k3o h ALA 97 N 5.52 1.07 -0.74 0.60 0.00 -1.99 0.27 119.26 123.99 2k3o h ALA 97 Ca -0.27 0.00 0.16 0.00 0.00 0.00 0.00 54.91 54.80 2k3o h ALA 97 Cb 1.21 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.89 2k3o h ALA 97 CO 0.45 -0.07 0.18 0.28 0.00 0.00 0.00 179.25 180.09 2k3o h VAL 98 N 0.00 0.52 0.00 0.00 2.07 -2.00 -3.40 116.25 113.43 2k3o h VAL 98 Ca 0.00 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 2k3o h VAL 98 Cb 0.19 0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 30.13 2k3o h VAL 98 CO 0.00 0.05 -0.13 -0.46 0.02 0.00 0.00 177.57 177.05 2k3o n ASN 99 N -5.15 -0.45 -0.31 0.57 2.04 -0.52 -5.01 115.26 106.42 2k3o n ASN 99 Ca 0.14 -1.16 0.17 0.00 -0.44 0.00 0.00 54.58 53.28 2k3o n ASN 99 Cb 0.46 0.14 0.41 0.00 -2.53 0.00 0.00 39.78 38.26 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 1.94 0.56 -2.53 0.00 -0.76 0.10 119.26 118.57 2k3o h ALA 100 Ca -0.26 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2k3o h ALA 100 Cb 0.99 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.74 2k3o h ALA 100 CO -0.13 -0.29 -0.27 0.77 0.00 0.00 0.00 179.25 179.33 2k3o h SER 101 N 0.59 -0.63 0.00 0.00 0.02 -1.84 -3.24 113.55 108.44 2k3o h SER 101 Ca 0.55 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.52 2k3o h SER 101 Cb 1.10 0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 2k3o h SER 101 CO -0.30 -0.43 -0.00 -1.28 -1.14 0.00 0.00 176.83 173.67 2k3o h SER 102 N -0.79 0.00 0.21 3.07 0.87 -1.59 0.10 113.55 115.42 2k3o h SER 102 Ca -0.08 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 2k3o h SER 102 Cb 0.57 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2k3o h SER 102 CO 0.13 0.00 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.31 2k3o h LEU 103 N 0.00 0.00 -0.74 2.23 3.38 -0.95 -1.62 115.31 117.61 2k3o h LEU 103 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2k3o h LEU 103 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2k3o h LEU 103 CO 0.00 0.05 0.42 1.23 0.09 0.00 0.00 178.44 180.23 2k3o h GLY 104 N 0.47 1.10 0.98 0.83 0.00 -0.84 -0.95 103.07 104.66 2k3o h GLY 104 Ca -0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 2k3o h GLY 104 CO 0.01 0.47 0.28 0.23 0.00 0.00 0.00 176.54 177.52 2k3o h SER 105 N 1.02 0.65 -0.44 0.19 0.87 -1.40 -0.61 113.55 113.83 2k3o h SER 105 Ca 0.26 -0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.76 2k3o h SER 105 Cb 0.01 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.77 2k3o h SER 105 CO -0.05 0.56 0.23 0.00 -0.53 0.00 0.00 176.83 177.05 2k3o h ALA 106 N 1.12 0.56 -0.22 6.23 0.00 -0.97 0.18 119.26 126.15 2k3o h ALA 106 Ca 0.18 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 2k3o h ALA 106 Cb 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2k3o h ALA 106 CO -0.03 -0.12 -0.22 1.25 0.00 0.00 0.00 179.25 180.13 2k3o h LEU 107 N 0.46 0.58 -1.64 0.00 7.12 -1.17 -2.37 115.31 118.29 2k3o h LEU 107 Ca 0.19 -0.47 0.00 0.00 0.13 0.00 0.00 57.88 57.73 2k3o h LEU 107 Cb 0.09 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 40.03 2k3o h LEU 107 CO -0.13 0.94 0.24 0.00 -0.13 0.00 0.00 178.44 179.36 2k3o h ALA 108 N 0.66 1.74 -0.54 1.25 0.00 -0.84 -0.15 119.26 121.38 2k3o h ALA 108 Ca 0.04 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2k3o h ALA 108 Cb 0.77 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2k3o h ALA 108 CO 0.05 0.24 -0.08 -0.91 0.00 0.00 0.00 179.25 178.55 2k3o h ASN 109 N 0.50 1.00 0.23 0.00 2.35 -0.60 0.68 115.58 119.73 2k3o h ASN 109 Ca 0.13 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 2k3o h ASN 109 Cb -0.05 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.04 2k3o h ASN 109 CO -0.03 1.09 -0.17 0.00 -1.65 0.00 0.00 177.43 176.67 2k3o h ALA 110 N 0.99 -0.39 -0.12 -0.83 0.00 -0.71 -1.28 119.26 116.92 2k3o h ALA 110 Ca 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2k3o h ALA 110 Cb 0.64 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2k3o h ALA 110 CO 0.04 -0.74 0.04 -0.07 0.00 0.00 0.00 179.25 178.53 2k3o h LEU 111 N -0.41 0.15 -0.20 0.00 3.38 -0.97 -0.44 115.31 116.82 2k3o h LEU 111 Ca -0.01 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2k3o h LEU 111 Cb 0.36 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2k3o h LEU 111 CO -0.01 0.15 -0.13 -1.28 0.09 0.00 0.00 178.44 177.26 2k3o h SER 112 N 0.17 0.46 -0.84 -0.43 0.87 -0.64 0.96 113.55 114.10 2k3o h SER 112 Ca 0.04 -0.43 0.05 0.00 -1.23 0.00 0.00 61.79 60.22 2k3o h SER 112 Cb 0.06 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 61.83 2k3o h SER 112 CO -0.00 0.79 0.52 0.44 -0.53 0.00 0.00 176.83 178.05 2k3o h ASP 113 N 0.13 0.83 -0.70 6.23 3.32 -0.86 -0.83 116.42 124.54 2k3o h ASP 113 Ca 0.04 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2k3o h ASP 113 Cb 0.64 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 2k3o h ASP 113 CO 0.04 0.55 0.38 0.28 -1.72 0.00 0.00 179.24 178.76 2k3o h SER 114 N 0.97 0.87 -0.21 6.45 0.02 -0.85 -0.80 113.55 120.00 2k3o h SER 114 Ca 0.36 -0.10 -0.15 0.00 -0.84 0.00 0.00 61.79 61.06 2k3o h SER 114 Cb 0.12 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2k3o h SER 114 CO -0.15 0.72 -0.46 0.00 -1.14 0.00 0.00 176.83 175.79 2k3o h ALA 115 N 1.19 0.34 -0.95 3.77 0.00 -0.53 0.13 119.26 123.22 2k3o h ALA 115 Ca 0.24 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2k3o h ALA 115 Cb 0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2k3o h ALA 115 CO -0.04 0.49 0.60 0.00 0.00 0.00 0.00 179.25 180.30 2k3o h ALA 116 N 0.61 1.28 -0.25 0.00 0.00 -1.13 -1.66 119.26 118.10 2k3o h ALA 116 Ca 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 2k3o h ALA 116 Cb 1.07 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2k3o h ALA 116 CO 0.10 0.65 -0.41 -0.97 0.00 0.00 0.00 179.25 178.62 2k3o h ASN 117 N 1.29 0.63 -0.48 0.00 -1.24 -1.05 -3.08 115.58 111.66 2k3o h ASN 117 Ca 0.34 -0.28 0.05 0.00 0.71 0.00 0.00 56.30 57.12 2k3o h ASN 117 Cb -0.11 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 38.72 2k3o h ASN 117 CO -0.07 0.96 0.22 -1.28 -1.29 0.00 0.00 177.43 175.98 2k3o h SER 118 N 0.49 0.30 0.07 1.15 0.87 -0.24 -0.25 113.55 115.94 2k3o h SER 118 Ca 0.04 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2k3o h SER 118 Cb 0.92 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 2k3o h SER 118 CO 0.08 0.21 0.00 0.00 -0.53 0.00 0.00 176.83 176.59 2k3o n ALA 119 N -2.34 1.09 0.08 6.23 0.00 -0.67 -1.80 120.51 123.11 2k3o n ALA 119 Ca 0.04 0.13 0.05 0.00 0.00 0.00 0.00 53.44 53.66 2k3o n ALA 119 Cb 0.14 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 2k3o n ALA 119 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2k3o h VAL 120 N 0.00 0.34 0.00 0.00 3.04 -0.96 -3.36 116.25 115.31 2k3o h VAL 120 Ca 0.00 -1.61 0.00 0.00 -1.01 0.00 0.00 66.70 64.08 2k3o h VAL 120 Cb 0.03 1.89 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 2k3o h VAL 120 CO 0.00 0.19 0.00 -1.28 -1.01 0.00 0.00 177.57 175.47 2k3o h SER 121 N 0.00 0.00 0.00 3.17 0.87 -1.10 -3.47 113.55 113.02 2k3o h SER 121 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 2k3o h SER 121 Cb 1.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 2k3o h SER 121 CO 0.03 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.94 2k3o n GLY 122 N -0.23 1.66 0.19 5.77 0.00 -1.26 -4.72 105.19 106.61 2k3o n GLY 122 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2k3o n GLY 122 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2k3o h ASN 123 N 0.00 0.00 -0.70 1.61 2.35 -1.91 -2.83 115.58 114.10 2k3o h ASN 123 Ca 0.00 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.87 2k3o h ASN 123 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 2k3o h ASN 123 CO 0.00 0.00 0.47 0.10 -1.65 0.00 0.00 177.43 176.35 2k3o h TYR 124 N 0.00 0.51 -0.62 1.19 -0.00 -1.85 -2.03 116.97 114.17 2k3o h TYR 124 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.74 2k3o h TYR 124 Cb 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 36.73 36.72 2k3o h TYR 124 CO 0.00 0.22 0.00 1.47 -0.00 0.00 0.00 178.16 179.85 2k3o n LEU 125 N -4.48 3.59 -2.70 0.10 -0.00 -1.07 -4.89 117.00 107.55 2k3o n LEU 125 Ca 0.13 -1.75 -0.11 0.00 -0.00 0.00 0.00 56.01 54.28 2k3o n LEU 125 Cb 0.44 -0.41 0.06 0.00 -0.00 0.00 0.00 43.42 43.51 2k3o n LEU 125 CO 0.33 0.87 0.05 0.61 -0.00 0.00 0.00 177.39 179.26 2k3o n GLY 126 N 1.57 -0.30 3.43 1.47 0.00 -0.76 -4.97 105.19 105.63 2k3o n GLY 126 Ca 0.22 0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 2k3o n GLY 126 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2k3o n VAL 127 N -2.97 1.62 -3.14 1.61 3.14 -1.25 -3.67 118.33 113.67 2k3o n VAL 127 Ca -0.14 -0.50 -0.06 0.00 -2.96 0.00 0.00 64.34 60.68 2k3o n VAL 127 Cb 0.60 -0.41 0.03 0.00 -1.06 0.00 0.00 33.84 33.00 2k3o n VAL 127 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2k3o n SER 128 N 1.57 -7.32 -2.02 6.55 7.64 -1.26 -4.97 113.62 113.81 2k3o n SER 128 Ca 0.12 -0.34 -0.21 0.00 1.01 0.00 0.00 58.87 59.45 2k3o n SER 128 Cb 0.37 -5.27 0.04 0.00 -1.01 0.00 0.00 64.21 58.34 2k3o n SER 128 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2k3o n GLN 129 N -2.39 2.01 0.00 1.43 7.27 -1.24 -5.27 117.38 119.19 2k3o n GLN 129 Ca -0.03 -1.95 0.00 0.00 0.07 0.00 0.00 57.00 55.09 2k3o n GLN 129 Cb 0.55 -1.78 0.00 0.00 2.41 0.00 0.00 30.24 31.42 2k3o n GLN 129 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42