#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 -0.03 -0.28 0.66 -1.99 -1.98 -1.57 116.97 111.78 2k3o h TYR 3 Ca 0.00 -0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.63 2k3o h TYR 3 Cb 0.00 0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.73 2k3o h TYR 3 CO 0.00 0.65 -0.25 0.66 -0.00 0.00 0.00 178.16 179.22 2k3o h SER 4 N -0.80 0.54 -0.36 3.88 4.64 -1.94 -1.22 113.55 118.29 2k3o h SER 4 Ca -0.00 -0.19 -0.11 0.00 -0.47 0.00 0.00 61.79 61.02 2k3o h SER 4 Cb 0.70 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 2k3o h SER 4 CO 0.01 0.78 -0.19 -1.28 -0.87 0.00 0.00 176.83 175.28 2k3o h SER 5 N 0.47 0.84 -0.33 4.97 0.87 -1.97 0.83 113.55 119.23 2k3o h SER 5 Ca 0.07 -0.29 -0.06 0.00 -1.23 0.00 0.00 61.79 60.28 2k3o h SER 5 Cb 0.69 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 2k3o h SER 5 CO 0.05 1.02 -0.02 0.00 -0.53 0.00 0.00 176.83 177.35 2k3o h ALA 6 N 1.05 0.45 -0.11 6.23 0.00 -1.09 0.89 119.26 126.68 2k3o h ALA 6 Ca 0.11 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2k3o h ALA 6 Cb 0.71 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2k3o h ALA 6 CO 0.05 0.23 0.01 0.35 0.00 0.00 0.00 179.25 179.89 2k3o h PHE 7 N 0.40 0.01 0.00 0.00 3.57 -1.15 -2.07 116.94 117.70 2k3o h PHE 7 Ca 0.09 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 2k3o h PHE 7 Cb 0.48 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 2k3o h PHE 7 CO 0.04 -0.00 -0.14 0.00 -2.23 0.00 0.00 178.31 175.98 2k3o h ALA 8 N 1.09 1.67 0.46 2.41 0.00 -0.77 0.11 119.26 124.24 2k3o h ALA 8 Ca 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2k3o h ALA 8 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2k3o h ALA 8 CO -0.08 0.18 -0.22 1.96 0.00 0.00 0.00 179.25 181.09 2k3o h GLN 9 N 0.00 -0.60 -0.50 0.00 1.08 -0.13 0.13 115.11 115.08 2k3o h GLN 9 Ca -0.00 0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.15 2k3o h GLN 9 Cb 0.26 0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 2k3o h GLN 9 CO 0.02 -0.30 -0.04 0.00 -0.95 0.00 0.00 178.83 177.56 2k3o h ALA 10 N -0.51 0.68 0.14 3.87 0.00 -1.38 -0.36 119.26 121.70 2k3o h ALA 10 Ca -0.06 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.54 2k3o h ALA 10 Cb 0.58 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2k3o h ALA 10 CO 0.10 0.53 -0.16 0.00 0.00 0.00 0.00 179.25 179.72 2k3o h ALA 11 N 0.92 -0.31 -0.62 0.00 0.00 -1.03 -1.64 119.26 116.59 2k3o h ALA 11 Ca 0.14 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2k3o h ALA 11 Cb 0.58 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2k3o h ALA 11 CO 0.03 -0.70 0.41 0.77 0.00 0.00 0.00 179.25 179.77 2k3o h SER 12 N -0.34 0.63 -0.52 0.00 0.02 -0.64 0.28 113.55 112.98 2k3o h SER 12 Ca 0.01 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2k3o h SER 12 Cb 0.33 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 2k3o h SER 12 CO -0.05 0.44 0.33 -1.28 -1.14 0.00 0.00 176.83 175.13 2k3o h SER 13 N 0.73 0.56 0.05 3.07 0.87 -0.57 0.21 113.55 118.47 2k3o h SER 13 Ca 0.25 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2k3o h SER 13 Cb 0.08 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2k3o h SER 13 CO -0.07 0.40 -0.02 -1.28 -0.53 0.00 0.00 176.83 175.33 2k3o h SER 14 N 0.67 -0.05 -0.74 6.23 0.87 -0.82 -3.19 113.55 116.52 2k3o h SER 14 Ca 0.20 -0.57 0.05 0.00 -1.23 0.00 0.00 61.79 60.24 2k3o h SER 14 Cb -0.03 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 61.90 2k3o h SER 14 CO -0.07 0.58 0.49 -0.07 -0.53 0.00 0.00 176.83 177.23 2k3o h LEU 15 N -0.73 0.71 -0.80 2.23 3.38 -0.39 0.23 115.31 119.94 2k3o h LEU 15 Ca -0.01 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2k3o h LEU 15 Cb 0.62 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2k3o h LEU 15 CO 0.01 0.47 -0.46 0.00 0.09 0.00 0.00 178.44 178.55 2k3o h ALA 16 N 1.59 0.94 0.00 1.53 0.00 -1.09 -3.08 119.26 119.15 2k3o h ALA 16 Ca 0.31 -0.42 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 2k3o h ALA 16 Cb 0.19 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2k3o h ALA 16 CO -0.10 0.57 -0.95 1.15 0.00 0.00 0.00 179.25 179.92 2k3o h THR 17 N 0.00 1.49 -0.23 0.00 2.02 -1.09 -3.42 112.91 111.68 2k3o h THR 17 Ca -0.00 -3.14 -0.51 0.00 0.77 0.00 0.00 66.41 63.53 2k3o h THR 17 Cb 1.01 2.73 0.01 0.00 -1.74 0.00 0.00 68.15 70.16 2k3o h THR 17 CO 0.06 0.85 1.76 -1.20 0.37 0.00 0.00 175.52 177.36 2k3o n SER 18 N -3.30 2.85 -0.14 4.18 7.64 0.64 -4.80 113.62 120.69 2k3o n SER 18 Ca -0.01 -2.70 0.23 0.00 1.01 0.00 0.00 58.87 57.40 2k3o n SER 18 Cb 0.90 -1.41 0.64 0.00 -1.01 0.00 0.00 64.21 63.34 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 8.67 0.13 -0.85 6.43 0.02 -1.82 -0.42 113.55 125.71 2k3o h SER 19 Ca 0.33 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.27 2k3o h SER 19 Cb 0.79 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.28 2k3o h SER 19 CO 1.62 0.06 0.41 0.00 -1.14 0.00 0.00 176.83 177.78 2k3o h ALA 20 N 1.63 1.12 -0.14 3.77 0.00 -1.95 0.83 119.26 124.51 2k3o h ALA 20 Ca 0.38 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2k3o h ALA 20 Cb 1.30 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2k3o h ALA 20 CO -0.06 0.66 -0.17 0.82 0.00 0.00 0.00 179.25 180.51 2k3o h ILE 21 N 1.21 1.36 -0.68 0.00 2.04 -1.45 -0.93 117.51 119.06 2k3o h ILE 21 Ca 0.29 -1.37 0.02 0.00 1.00 0.00 0.00 64.86 64.80 2k3o h ILE 21 Cb 0.11 1.92 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 2k3o h ILE 21 CO -0.04 0.40 0.44 -1.28 0.00 0.00 0.00 178.15 177.67 2k3o h SER 22 N -0.02 0.74 -0.51 1.72 0.87 -1.26 -0.85 113.55 114.24 2k3o h SER 22 Ca 0.02 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 2k3o h SER 22 Cb 0.72 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 2k3o h SER 22 CO 0.04 0.53 0.23 0.03 -0.53 0.00 0.00 176.83 177.13 2k3o h ARG 23 N 0.88 0.74 -0.63 2.24 3.08 -0.85 -0.89 114.38 118.94 2k3o h ARG 23 Ca 0.26 -0.12 0.02 0.00 0.07 0.00 0.00 59.98 60.21 2k3o h ARG 23 Cb -0.05 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.84 2k3o h ARG 23 CO -0.08 0.63 0.41 0.00 -1.07 0.00 0.00 179.97 179.86 2k3o h ALA 24 N 1.07 0.81 -0.41 0.04 0.00 -0.70 0.16 119.26 120.25 2k3o h ALA 24 Ca 0.17 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2k3o h ALA 24 Cb 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2k3o h ALA 24 CO -0.02 0.20 -0.06 0.74 0.00 0.00 0.00 179.25 180.11 2k3o h PHE 25 N 0.82 0.73 0.00 0.00 0.04 -1.04 -2.84 116.94 114.66 2k3o h PHE 25 Ca 0.24 -0.11 -0.11 0.00 2.80 0.00 0.00 57.97 60.79 2k3o h PHE 25 Cb -0.05 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 37.89 2k3o h PHE 25 CO -0.04 0.73 -0.54 0.00 -0.60 0.00 0.00 178.31 177.86 2k3o h ALA 26 N 1.30 0.72 -0.42 2.45 0.00 -0.84 -3.32 119.26 119.15 2k3o h ALA 26 Ca 0.12 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 2k3o h ALA 26 Cb 0.49 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2k3o h ALA 26 CO 0.03 0.67 -0.05 1.03 0.00 0.00 0.00 179.25 180.93 2k3o h SER 27 N 0.00 0.77 -4.03 0.00 0.87 -0.48 -3.43 113.55 107.25 2k3o h SER 27 Ca -0.01 -0.34 -0.48 0.00 -1.23 0.00 0.00 61.79 59.74 2k3o h SER 27 Cb 1.30 -0.21 0.02 0.00 -0.44 0.00 0.00 62.40 63.07 2k3o h SER 27 CO 0.07 0.92 0.40 0.68 -0.53 0.00 0.00 176.83 178.37 2k3o s VAL 28 N -4.90 3.74 -0.02 2.23 -7.23 -1.09 -4.99 120.40 108.14 2k3o s VAL 28 Ca -0.13 1.18 0.03 0.00 -1.81 0.00 0.00 61.98 61.25 2k3o s VAL 28 Cb 0.10 -3.53 0.04 0.00 0.56 0.00 0.00 36.38 33.55 2k3o s VAL 28 CO 0.81 -0.14 0.98 -1.54 -0.31 0.00 0.00 175.10 174.91 2k3o n SER 29 N -0.62 0.38 -3.90 4.85 3.41 -1.26 -4.84 113.62 111.64 2k3o n SER 29 Ca 0.08 -2.09 -0.15 0.00 -0.26 0.00 0.00 58.87 56.45 2k3o n SER 29 Cb 0.51 -0.22 -0.15 0.00 -0.26 0.00 0.00 64.21 64.10 2k3o n SER 29 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2k3o s SER 30 N -1.20 0.43 0.34 4.04 0.01 -1.26 -4.83 113.70 111.22 2k3o s SER 30 Ca 0.05 -0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.26 2k3o s SER 30 Cb 0.04 -0.10 0.59 0.00 0.21 0.00 0.00 66.02 66.76 2k3o s SER 30 CO 0.00 0.01 2.00 0.00 0.41 0.00 0.00 173.24 175.66 2k3o h ALA 31 N 6.38 1.51 -0.05 1.44 0.00 -1.92 -0.24 119.26 126.39 2k3o h ALA 31 Ca -0.31 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 2k3o h ALA 31 Cb 1.18 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2k3o h ALA 31 CO 0.50 0.45 -0.50 0.77 0.00 0.00 0.00 179.25 180.47 2k3o h SER 32 N 0.91 0.13 -0.31 0.00 0.02 -1.97 0.87 113.55 113.20 2k3o h SER 32 Ca 0.25 -0.06 -0.16 0.00 -0.84 0.00 0.00 61.79 60.97 2k3o h SER 32 Cb -0.10 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 2k3o h SER 32 CO -0.05 0.61 -0.45 0.00 -1.14 0.00 0.00 176.83 175.81 2k3o h ALA 33 N 1.39 0.47 -0.50 3.77 0.00 -1.70 -0.45 119.26 122.25 2k3o h ALA 33 Ca 0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 2k3o h ALA 33 Cb 0.92 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2k3o h ALA 33 CO 0.07 0.62 0.03 0.00 0.00 0.00 0.00 179.25 179.96 2k3o h ALA 34 N 0.70 0.67 -0.76 0.00 0.00 -1.03 0.16 119.26 119.00 2k3o h ALA 34 Ca 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2k3o h ALA 34 Cb 1.05 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2k3o h ALA 34 CO 0.10 0.45 0.42 0.66 0.00 0.00 0.00 179.25 180.89 2k3o h SER 35 N 0.73 0.95 -0.33 0.00 4.64 -0.79 -1.25 113.55 117.50 2k3o h SER 35 Ca 0.14 -0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 61.22 2k3o h SER 35 Cb 0.48 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 2k3o h SER 35 CO 0.02 0.78 -0.34 -1.28 -0.87 0.00 0.00 176.83 175.14 2k3o h SER 36 N 1.06 0.92 -0.35 4.97 0.87 -0.95 0.13 113.55 120.19 2k3o h SER 36 Ca 0.27 -0.39 -0.02 0.00 -1.23 0.00 0.00 61.79 60.42 2k3o h SER 36 Cb 0.03 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 2k3o h SER 36 CO -0.04 1.16 0.15 0.17 -0.53 0.00 0.00 176.83 177.74 2k3o h LEU 37 N 0.73 0.48 -1.10 2.23 8.10 -0.80 -0.43 115.31 124.52 2k3o h LEU 37 Ca 0.07 -0.15 -0.08 0.00 0.11 0.00 0.00 57.88 57.83 2k3o h LEU 37 Cb 0.91 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.99 2k3o h LEU 37 CO 0.08 0.49 -0.40 0.00 -4.11 0.00 0.00 178.44 174.51 2k3o h ALA 38 N 1.00 1.13 0.29 0.17 0.00 -1.15 0.36 119.26 121.06 2k3o h ALA 38 Ca 0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2k3o h ALA 38 Cb 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2k3o h ALA 38 CO -0.01 0.50 -0.14 -0.92 0.00 0.00 0.00 179.25 178.67 2k3o h TYR 39 N 0.00 -0.36 -0.31 0.00 3.20 -0.48 0.45 116.97 119.47 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 0.81 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 2k3o h TYR 39 CO 0.00 -0.11 0.04 -0.97 -1.64 0.00 0.00 178.16 175.48 2k3o h ASN 40 N -0.56 0.50 -0.59 -2.11 -1.24 -0.76 0.22 115.58 111.04 2k3o h ASN 40 Ca -0.04 -0.27 -0.02 0.00 0.71 0.00 0.00 56.30 56.68 2k3o h ASN 40 Cb 0.41 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.30 2k3o h ASN 40 CO 0.07 0.64 0.28 0.40 -1.29 0.00 0.00 177.43 177.53 2k3o h ILE 41 N 0.34 1.21 -0.53 2.57 2.04 -1.03 -2.02 117.51 120.09 2k3o h ILE 41 Ca 0.09 -0.60 -0.11 0.00 1.00 0.00 0.00 64.86 65.24 2k3o h ILE 41 Cb 0.36 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 2k3o h ILE 41 CO 0.01 0.24 -0.11 1.23 0.00 0.00 0.00 178.15 179.52 2k3o h GLY 42 N 0.80 1.10 0.96 5.37 0.00 -0.74 -1.75 103.07 108.81 2k3o h GLY 42 Ca 0.20 -0.89 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 2k3o h GLY 42 CO -0.02 0.81 -0.11 1.41 0.00 0.00 0.00 176.54 178.63 2k3o h LEU 43 N 0.90 -0.26 -1.37 3.11 3.38 -0.44 0.98 115.31 121.61 2k3o h LEU 43 Ca 0.14 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2k3o h LEU 43 Cb 0.68 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2k3o h LEU 43 CO 0.05 -0.15 -0.17 0.28 0.09 0.00 0.00 178.44 178.55 2k3o h SER 44 N -0.35 0.20 -0.04 -0.43 0.02 -1.35 -0.21 113.55 111.39 2k3o h SER 44 Ca -0.03 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 2k3o h SER 44 Cb 0.27 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2k3o h SER 44 CO 0.05 0.39 -0.11 0.00 -1.14 0.00 0.00 176.83 176.02 2k3o h ALA 45 N 1.64 0.07 -0.84 3.77 0.00 -1.22 -2.63 119.26 120.04 2k3o h ALA 45 Ca 0.04 -0.35 0.10 0.00 0.00 0.00 0.00 54.91 54.70 2k3o h ALA 45 Cb 0.42 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 2k3o h ALA 45 CO 0.03 -0.04 0.55 0.00 0.00 0.00 0.00 179.25 179.78 2k3o h ALA 46 N 0.43 1.70 -0.71 0.00 0.00 -0.58 -1.13 119.26 118.97 2k3o h ALA 46 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2k3o h ALA 46 Cb 0.72 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2k3o h ALA 46 CO 0.02 0.13 0.35 0.00 0.00 0.00 0.00 179.25 179.75 2k3o h ARG 47 N 0.81 1.02 -0.65 0.00 2.47 -1.08 0.97 114.38 117.93 2k3o h ARG 47 Ca 0.39 -0.15 -0.08 0.00 -1.26 0.00 0.00 59.98 58.89 2k3o h ARG 47 Cb 0.43 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 28.54 2k3o h ARG 47 CO -0.16 0.80 0.10 0.77 0.56 0.00 0.00 179.97 182.05 2k3o h SER 48 N 0.99 1.03 1.29 7.04 0.02 -0.87 -3.00 113.55 120.05 2k3o h SER 48 Ca 0.25 -0.26 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 2k3o h SER 48 Cb 0.11 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 2k3o h SER 48 CO -0.03 1.03 -0.24 -0.07 -1.14 0.00 0.00 176.83 176.37 2k3o h LEU 49 N 0.99 0.00 0.00 5.07 4.07 -1.09 -3.48 115.31 120.86 2k3o h LEU 49 Ca 0.20 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.16 2k3o h LEU 49 Cb 0.44 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.18 2k3o h LEU 49 CO 0.01 0.24 0.00 0.61 -1.08 0.00 0.00 178.44 178.23 2k3o n GLY 50 N 0.62 1.04 3.75 0.83 0.00 0.23 -5.06 105.19 106.59 2k3o n GLY 50 Ca 0.01 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.44 1.45 1.30 -0.61 -0.00 -0.54 -4.93 119.36 113.59 2k3o n ILE 51 Ca 0.00 -0.36 0.05 0.00 -0.00 0.00 0.00 62.75 62.44 2k3o n ILE 51 Cb 0.15 -1.94 0.19 0.00 -0.00 0.00 0.00 39.64 38.04 2k3o n ILE 51 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k3o n ALA 52 N 1.38 2.48 -2.72 -1.39 0.00 -1.26 -4.15 120.51 114.85 2k3o n ALA 52 Ca 0.06 -0.41 -0.09 0.00 0.00 0.00 0.00 53.44 53.00 2k3o n ALA 52 Cb 0.37 -1.03 0.08 0.00 0.00 0.00 0.00 19.45 18.88 2k3o n ALA 52 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2k3o n SER 53 N 0.13 -0.74 -0.30 0.00 3.41 -1.26 -5.00 113.62 109.87 2k3o n SER 53 Ca 0.10 -2.71 0.11 0.00 -0.26 0.00 0.00 58.87 56.11 2k3o n SER 53 Cb 0.21 0.53 0.34 0.00 -0.26 0.00 0.00 64.21 65.04 2k3o n SER 53 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2k3o h ASP 54 N 2.48 0.72 -0.81 4.04 3.32 -1.95 0.33 116.42 124.57 2k3o h ASP 54 Ca -0.18 0.05 0.11 0.00 0.02 0.00 0.00 57.03 57.03 2k3o h ASP 54 Cb 1.22 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.62 2k3o h ASP 54 CO 0.17 0.36 0.53 0.71 -1.72 0.00 0.00 179.24 179.29 2k3o h THR 55 N 0.76 0.91 0.23 0.35 1.35 -1.95 0.87 112.91 115.42 2k3o h THR 55 Ca 0.47 -0.24 -0.34 0.00 -0.55 0.00 0.00 66.41 65.75 2k3o h THR 55 Cb 0.68 0.16 0.03 0.00 -1.73 0.00 0.00 68.15 67.29 2k3o h THR 55 CO -0.23 0.13 -1.57 0.00 -0.25 0.00 0.00 175.52 173.60 2k3o h ALA 56 N 1.60 -0.04 0.72 6.62 0.00 -1.37 -0.93 119.26 125.86 2k3o h ALA 56 Ca 0.38 -0.97 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 2k3o h ALA 56 Cb 0.54 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.62 2k3o h ALA 56 CO -0.15 0.81 -0.35 1.25 0.00 0.00 0.00 179.25 180.81 2k3o h LEU 57 N 0.10 -0.82 -1.35 0.00 7.12 -1.17 -0.31 115.31 118.87 2k3o h LEU 57 Ca -0.29 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.71 2k3o h LEU 57 Cb 2.12 0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 42.44 2k3o h LEU 57 CO 0.23 -0.49 0.29 0.00 -0.13 0.00 0.00 178.44 178.34 2k3o h ALA 58 N -0.99 1.51 -0.51 1.25 0.00 -0.99 -1.46 119.26 118.06 2k3o h ALA 58 Ca -0.10 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2k3o h ALA 58 Cb 0.77 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2k3o h ALA 58 CO 0.16 0.41 0.10 0.78 0.00 0.00 0.00 179.25 180.71 2k3o h GLY 59 N 0.81 0.90 1.02 0.00 0.00 -1.11 0.58 103.07 105.27 2k3o h GLY 59 Ca 0.19 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 2k3o h GLY 59 CO -0.03 0.54 0.44 0.00 0.00 0.00 0.00 176.54 177.49 2k3o h ALA 60 N 0.99 1.06 -0.74 3.60 0.00 -0.66 -1.09 119.26 122.41 2k3o h ALA 60 Ca 0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2k3o h ALA 60 Cb 0.37 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2k3o h ALA 60 CO 0.01 0.58 0.28 -0.07 0.00 0.00 0.00 179.25 180.05 2k3o h LEU 61 N 1.15 1.03 -0.03 0.00 3.38 -1.00 0.08 115.31 119.92 2k3o h LEU 61 Ca 0.29 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2k3o h LEU 61 Cb 0.05 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2k3o h LEU 61 CO -0.04 0.93 0.02 0.00 0.09 0.00 0.00 178.44 179.43 2k3o h ALA 62 N 1.14 0.04 -0.56 1.53 0.00 -0.65 -1.28 119.26 119.48 2k3o h ALA 62 Ca 0.25 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 2k3o h ALA 62 Cb 0.23 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2k3o h ALA 62 CO -0.02 -0.46 0.17 1.96 0.00 0.00 0.00 179.25 180.90 2k3o h GLN 63 N 0.03 0.85 -0.08 0.00 1.08 -1.08 -0.99 115.11 114.92 2k3o h GLN 63 Ca 0.01 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.04 2k3o h GLN 63 Cb 0.00 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.29 2k3o h GLN 63 CO -0.00 0.74 0.02 0.00 -0.95 0.00 0.00 178.83 178.64 2k3o h ALA 64 N 1.36 0.11 -0.72 3.87 0.00 -0.79 -1.82 119.26 121.27 2k3o h ALA 64 Ca 0.19 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2k3o h ALA 64 Cb 0.25 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2k3o h ALA 64 CO -0.01 -0.27 0.30 0.28 0.00 0.00 0.00 179.25 179.55 2k3o h VAL 65 N -0.07 1.25 0.00 0.00 2.07 -1.16 -1.76 116.25 116.58 2k3o h VAL 65 Ca 0.03 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 2k3o h VAL 65 Cb 0.23 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2k3o h VAL 65 CO -0.00 0.31 -0.00 1.23 0.02 0.00 0.00 177.57 179.12 2k3o h GLY 66 N 1.02 0.00 1.03 2.17 0.00 -1.11 -1.92 103.07 104.25 2k3o h GLY 66 Ca 0.24 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.50 2k3o h GLY 66 CO -0.02 0.00 0.06 -1.33 0.00 0.00 0.00 176.54 175.25 2k3o h GLY 67 N 0.13 1.03 0.73 4.60 0.00 -0.42 -3.17 103.07 105.98 2k3o h GLY 67 Ca -0.00 -0.71 -0.19 0.00 0.00 0.00 0.00 47.33 46.43 2k3o h GLY 67 CO 0.00 0.66 -0.84 -2.08 0.00 0.00 0.00 176.54 174.28 2k3o h VAL 68 N 0.85 1.49 -1.19 4.60 2.07 -1.57 -3.51 116.25 118.98 2k3o h VAL 68 Ca 0.17 -2.50 0.13 0.00 0.82 0.00 0.00 66.70 65.31 2k3o h VAL 68 Cb 0.45 3.14 -0.06 0.00 -1.52 0.00 0.00 31.29 33.30 2k3o h VAL 68 CO 0.02 0.71 -0.37 0.61 0.02 0.00 0.00 177.57 178.56 2k3o n GLY 69 N 1.61 -2.45 3.70 2.17 0.00 -0.75 -4.98 105.19 104.50 2k3o n GLY 69 Ca -0.14 -1.34 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.81 1.92 0.00 4.61 0.00 -1.26 -4.29 121.76 119.92 2k3o s ALA 70 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2k3o s ALA 70 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2k3o s ALA 70 CO 0.00 -2.19 0.00 0.41 0.00 0.00 0.00 175.76 173.98 2k3o n GLY 71 N 0.53 0.78 3.20 0.00 0.00 -1.26 -4.96 105.19 103.48 2k3o n GLY 71 Ca 0.14 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.82 1.14 0.60 4.61 0.00 -1.26 -5.16 121.76 118.88 2k3o s ALA 72 Ca 0.00 -1.60 -0.20 0.00 0.00 0.00 0.00 51.96 50.17 2k3o s ALA 72 Cb 0.00 0.93 -0.03 0.00 0.00 0.00 0.00 23.12 24.02 2k3o s ALA 72 CO 0.00 -0.47 1.32 -1.12 0.00 0.00 0.00 175.76 175.49 2k3o s SER 73 N -3.13 4.92 0.26 0.00 0.01 -1.26 -4.93 113.70 109.57 2k3o s SER 73 Ca 0.29 2.69 -0.02 0.00 1.31 0.00 0.00 55.95 60.22 2k3o s SER 73 Cb 0.07 -2.63 0.48 0.00 0.21 0.00 0.00 66.02 64.15 2k3o s SER 73 CO 0.06 -1.80 1.82 0.00 0.41 0.00 0.00 173.24 173.73 2k3o h ALA 74 N 0.98 1.34 -0.76 1.44 0.00 -1.95 -1.18 119.26 119.13 2k3o h ALA 74 Ca -0.51 0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.52 2k3o h ALA 74 Cb 1.32 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 2k3o h ALA 74 CO 0.55 0.14 0.50 1.03 0.00 0.00 0.00 179.25 181.47 2k3o h SER 75 N 0.87 0.63 -0.25 0.00 0.87 -1.93 -0.31 113.55 113.43 2k3o h SER 75 Ca 0.45 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.99 2k3o h SER 75 Cb 0.44 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2k3o h SER 75 CO -0.26 0.39 0.02 0.00 -0.53 0.00 0.00 176.83 176.44 2k3o h ALA 76 N 1.61 0.34 -0.24 6.23 0.00 -1.57 0.13 119.26 125.76 2k3o h ALA 76 Ca 0.35 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2k3o h ALA 76 Cb 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2k3o h ALA 76 CO -0.13 0.04 -0.15 1.88 0.00 0.00 0.00 179.25 180.90 2k3o h TYR 77 N 0.22 0.60 -0.73 0.00 0.05 -1.46 -1.36 116.97 114.30 2k3o h TYR 77 Ca 0.07 -0.16 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 2k3o h TYR 77 Cb 0.37 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 2k3o h TYR 77 CO 0.03 0.81 0.37 0.00 -1.05 0.00 0.00 178.16 178.32 2k3o h ALA 78 N 0.70 1.29 -0.13 3.88 0.00 -0.99 0.24 119.26 124.25 2k3o h ALA 78 Ca 0.05 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2k3o h ALA 78 Cb 0.67 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2k3o h ALA 78 CO 0.04 0.56 -0.14 -0.97 0.00 0.00 0.00 179.25 178.75 2k3o h ASN 79 N 1.02 0.35 -0.74 0.00 -1.24 -0.76 0.43 115.58 114.64 2k3o h ASN 79 Ca 0.25 -0.49 0.06 0.00 0.71 0.00 0.00 56.30 56.84 2k3o h ASN 79 Cb 0.06 -0.10 -0.06 0.00 0.73 0.00 0.00 38.32 38.96 2k3o h ASN 79 CO -0.04 0.77 0.43 0.00 -1.29 0.00 0.00 177.43 177.30 2k3o h ALA 80 N 0.59 1.01 0.12 1.57 0.00 -0.83 0.24 119.26 121.97 2k3o h ALA 80 Ca 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2k3o h ALA 80 Cb 0.67 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2k3o h ALA 80 CO 0.03 0.12 -0.06 0.82 0.00 0.00 0.00 179.25 180.17 2k3o h ILE 81 N 0.79 0.89 0.00 0.00 2.04 -0.95 -0.74 117.51 119.54 2k3o h ILE 81 Ca 0.33 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 66.12 2k3o h ILE 81 Cb 0.20 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2k3o h ILE 81 CO -0.19 0.01 -0.15 0.00 0.00 0.00 0.00 178.15 177.83 2k3o h ALA 82 N 0.69 1.46 0.08 1.87 0.00 -0.12 0.18 119.26 123.42 2k3o h ALA 82 Ca -0.02 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.53 2k3o h ALA 82 Cb 0.14 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.93 2k3o h ALA 82 CO 0.03 0.18 -0.94 0.00 0.00 0.00 0.00 179.25 178.51 2k3o h ARG 83 N 0.00 0.51 -0.00 0.00 3.08 -0.46 -0.08 114.38 117.43 2k3o h ARG 83 Ca -0.00 -0.65 -0.00 0.00 0.07 0.00 0.00 59.98 59.40 2k3o h ARG 83 Cb 0.32 0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 2k3o h ARG 83 CO 0.02 1.27 -0.01 0.00 -1.07 0.00 0.00 179.97 180.18 2k3o h ALA 84 N 0.27 0.01 -0.46 0.04 0.00 -0.63 0.14 119.26 118.63 2k3o h ALA 84 Ca -0.14 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.52 2k3o h ALA 84 Cb 1.66 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.41 2k3o h ALA 84 CO 0.18 -0.22 0.26 0.00 0.00 0.00 0.00 179.25 179.48 2k3o h ALA 85 N 0.46 0.58 -0.49 0.00 0.00 -0.83 -1.42 119.26 117.57 2k3o h ALA 85 Ca 0.00 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2k3o h ALA 85 Cb 0.55 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2k3o h ALA 85 CO 0.00 -0.06 0.24 0.78 0.00 0.00 0.00 179.25 180.21 2k3o h GLY 86 N 0.53 0.68 1.01 0.00 0.00 -0.93 0.16 103.07 104.51 2k3o h GLY 86 Ca 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 2k3o h GLY 86 CO -0.09 0.09 0.35 1.46 0.00 0.00 0.00 176.54 178.35 2k3o h GLN 87 N 0.46 1.01 -0.16 4.80 4.20 -0.62 0.12 115.11 124.93 2k3o h GLN 87 Ca 0.22 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 2k3o h GLN 87 Cb 0.14 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2k3o h GLN 87 CO -0.16 0.79 0.10 0.35 -0.67 0.00 0.00 178.83 179.23 2k3o h PHE 88 N 0.98 0.21 0.00 2.96 3.04 -0.55 -1.42 116.94 122.16 2k3o h PHE 88 Ca 0.24 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.16 2k3o h PHE 88 Cb 0.10 -0.07 -0.00 0.00 2.56 0.00 0.00 35.95 38.54 2k3o h PHE 88 CO 0.00 0.17 -0.15 -0.07 -2.02 0.00 0.00 178.31 176.25 2k3o h LEU 89 N 0.18 0.00 0.18 0.59 3.38 -0.59 -1.44 115.31 117.61 2k3o h LEU 89 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2k3o h LEU 89 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2k3o h LEU 89 CO -0.01 0.15 -0.09 0.00 0.09 0.00 0.00 178.44 178.58 2k3o h ALA 90 N 1.85 -0.24 -0.13 1.53 0.00 -0.55 -0.45 119.26 121.27 2k3o h ALA 90 Ca -0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2k3o h ALA 90 Cb 0.79 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2k3o h ALA 90 CO 0.02 -0.45 -0.27 0.00 0.00 0.00 0.00 179.25 178.55 2k3o h THR 91 N -0.60 1.25 0.00 0.00 1.03 -1.14 -1.55 112.91 111.90 2k3o h THR 91 Ca -0.02 -1.16 0.00 0.00 -0.01 0.00 0.00 66.41 65.21 2k3o h THR 91 Cb 0.45 1.45 0.00 0.00 -1.07 0.00 0.00 68.15 68.97 2k3o h THR 91 CO 0.04 0.35 0.00 0.00 -0.01 0.00 0.00 175.52 175.90 2k3o n GLN 92 N -4.15 0.12 -1.04 0.00 1.13 -0.55 -4.91 117.38 107.98 2k3o n GLN 92 Ca -0.01 0.16 -0.01 0.00 -1.94 0.00 0.00 57.00 55.20 2k3o n GLN 92 Cb 0.37 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.22 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 0.24 0.40 0.23 1.08 0.00 -0.58 -4.91 105.19 101.65 2k3o n GLY 93 Ca 0.06 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 1.30 -2.85 1.61 2.07 -1.34 -3.41 116.25 113.63 2k3o h VAL 94 Ca -0.03 -1.55 -0.56 0.00 0.82 0.00 0.00 66.70 65.38 2k3o h VAL 94 Cb 0.48 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 2k3o h VAL 94 CO 0.04 0.49 0.97 -0.76 0.02 0.00 0.00 177.57 178.33 2k3o s LEU 95 N -8.51 4.17 -0.00 2.57 1.43 -0.78 -4.86 118.68 112.69 2k3o s LEU 95 Ca -0.07 1.78 -0.13 0.00 -1.03 0.00 0.00 54.13 54.68 2k3o s LEU 95 Cb 0.12 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.82 2k3o s LEU 95 CO 0.82 -0.86 0.26 0.54 0.23 0.00 0.00 176.35 177.34 2k3o s ASN 96 N 2.52 -0.12 0.16 2.29 2.20 -1.26 -4.91 114.94 115.82 2k3o s ASN 96 Ca 0.60 -0.03 0.12 0.00 -0.94 0.00 0.00 52.86 52.62 2k3o s ASN 96 Cb -0.24 0.28 0.63 0.00 -2.00 0.00 0.00 41.25 39.92 2k3o s ASN 96 CO 0.20 -0.44 1.37 0.00 -2.94 0.00 0.00 177.10 175.29 2k3o n ALA 97 N 1.27 1.10 -0.11 3.54 0.00 -1.26 -0.44 120.51 124.60 2k3o n ALA 97 Ca -0.22 0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.27 2k3o n ALA 97 Cb 0.56 -1.18 0.02 0.00 0.00 0.00 0.00 19.45 18.84 2k3o n ALA 97 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2k3o h VAL 98 N 0.00 0.64 0.00 0.00 2.07 -1.98 -3.42 116.25 113.56 2k3o h VAL 98 Ca 0.00 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 2k3o h VAL 98 Cb 0.04 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.35 2k3o h VAL 98 CO 0.00 0.01 -0.15 -0.46 0.02 0.00 0.00 177.57 176.99 2k3o n ASN 99 N -5.27 -0.61 -0.27 0.57 2.04 -0.93 -5.01 115.26 105.79 2k3o n ASN 99 Ca 0.02 -1.25 0.25 0.00 -0.44 0.00 0.00 54.58 53.16 2k3o n ASN 99 Cb 0.21 0.23 0.59 0.00 -2.53 0.00 0.00 39.78 38.28 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 0.19 2.50 0.48 -2.53 0.00 -1.01 0.16 119.26 119.05 2k3o h ALA 100 Ca -0.27 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2k3o h ALA 100 Cb 1.04 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2k3o h ALA 100 CO -0.13 -0.83 -0.23 1.03 0.00 0.00 0.00 179.25 179.09 2k3o h SER 101 N 0.25 -0.55 -0.10 0.00 0.87 -1.85 -3.18 113.55 109.00 2k3o h SER 101 Ca 0.52 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 61.10 2k3o h SER 101 Cb 1.57 0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 63.67 2k3o h SER 101 CO -0.15 -0.34 0.07 -1.28 -0.53 0.00 0.00 176.83 174.59 2k3o h SER 102 N -0.74 0.09 0.09 6.23 0.87 -1.58 0.74 113.55 119.24 2k3o h SER 102 Ca -0.07 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 2k3o h SER 102 Cb 0.50 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2k3o h SER 102 CO 0.11 0.07 -0.03 -0.07 -0.53 0.00 0.00 176.83 176.37 2k3o h LEU 103 N 0.11 0.00 -0.32 2.23 3.38 -1.10 -1.68 115.31 117.93 2k3o h LEU 103 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2k3o h LEU 103 Cb 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2k3o h LEU 103 CO -0.01 0.03 0.19 1.23 0.09 0.00 0.00 178.44 179.98 2k3o h GLY 104 N 0.21 0.46 1.32 0.83 0.00 -0.86 -0.87 103.07 104.16 2k3o h GLY 104 Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 2k3o h GLY 104 CO 0.00 0.18 0.19 1.76 0.00 0.00 0.00 176.54 178.68 2k3o h SER 105 N 0.41 0.80 -0.34 0.19 0.02 -1.47 -0.48 113.55 112.68 2k3o h SER 105 Ca 0.11 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2k3o h SER 105 Cb -0.00 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 2k3o h SER 105 CO -0.02 0.75 0.21 0.00 -1.14 0.00 0.00 176.83 176.62 2k3o h ALA 106 N 1.36 0.44 -0.21 3.77 0.00 -0.89 0.89 119.26 124.63 2k3o h ALA 106 Ca 0.19 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 2k3o h ALA 106 Cb 0.23 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.89 2k3o h ALA 106 CO -0.01 -0.06 -0.60 1.25 0.00 0.00 0.00 179.25 179.82 2k3o h LEU 107 N 0.45 0.89 -1.16 0.00 7.12 -1.11 -1.87 115.31 119.62 2k3o h LEU 107 Ca 0.12 -0.58 0.01 0.00 0.13 0.00 0.00 57.88 57.56 2k3o h LEU 107 Cb 0.01 -0.26 -0.04 0.00 -0.53 0.00 0.00 40.66 39.83 2k3o h LEU 107 CO -0.02 1.31 0.57 0.00 -0.13 0.00 0.00 178.44 180.17 2k3o h ALA 108 N 0.60 1.40 -0.34 1.25 0.00 -1.01 -0.43 119.26 120.73 2k3o h ALA 108 Ca -0.02 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2k3o h ALA 108 Cb 1.22 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2k3o h ALA 108 CO 0.13 0.55 -0.24 -0.91 0.00 0.00 0.00 179.25 178.78 2k3o h ASN 109 N 1.15 0.67 -0.30 0.00 2.35 -0.76 0.10 115.58 118.79 2k3o h ASN 109 Ca 0.32 -0.24 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 2k3o h ASN 109 Cb -0.11 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 2k3o h ASN 109 CO -0.07 0.89 0.12 0.00 -1.65 0.00 0.00 177.43 176.72 2k3o h ALA 110 N 1.16 0.39 -0.32 -0.83 0.00 -0.63 -0.26 119.26 118.78 2k3o h ALA 110 Ca 0.08 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2k3o h ALA 110 Cb 0.72 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2k3o h ALA 110 CO 0.05 -0.01 -0.13 -0.07 0.00 0.00 0.00 179.25 179.09 2k3o h LEU 111 N 0.34 0.54 -0.68 0.00 3.38 -1.02 -2.44 115.31 115.44 2k3o h LEU 111 Ca 0.10 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2k3o h LEU 111 Cb 0.17 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2k3o h LEU 111 CO -0.01 0.70 0.22 -1.28 0.09 0.00 0.00 178.44 178.16 2k3o h SER 112 N 0.51 0.98 -0.31 -0.43 0.87 -0.60 0.18 113.55 114.75 2k3o h SER 112 Ca 0.09 -0.20 0.04 0.00 -1.23 0.00 0.00 61.79 60.49 2k3o h SER 112 Cb 0.52 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 2k3o h SER 112 CO 0.03 0.92 0.07 0.44 -0.53 0.00 0.00 176.83 177.76 2k3o h ASP 113 N 0.98 0.03 -0.28 6.23 3.32 -0.86 -0.08 116.42 125.76 2k3o h ASP 113 Ca 0.22 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.24 2k3o h ASP 113 Cb 0.29 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2k3o h ASP 113 CO -0.01 0.05 -0.06 0.28 -1.72 0.00 0.00 179.24 177.78 2k3o h SER 114 N 0.18 0.64 -0.14 6.45 0.02 -1.12 -0.83 113.55 118.76 2k3o h SER 114 Ca 0.14 -0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 2k3o h SER 114 Cb 0.15 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 2k3o h SER 114 CO -0.18 0.75 -0.24 0.00 -1.14 0.00 0.00 176.83 176.02 2k3o h ALA 115 N 1.32 0.21 -0.92 3.77 0.00 -0.32 0.15 119.26 123.46 2k3o h ALA 115 Ca 0.12 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2k3o h ALA 115 Cb 0.48 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2k3o h ALA 115 CO 0.03 0.18 0.57 0.00 0.00 0.00 0.00 179.25 180.03 2k3o h ALA 116 N 0.56 1.18 -0.13 0.00 0.00 -1.03 -1.84 119.26 117.99 2k3o h ALA 116 Ca 0.01 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2k3o h ALA 116 Cb 0.82 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2k3o h ALA 116 CO 0.05 0.62 -0.29 -0.97 0.00 0.00 0.00 179.25 178.66 2k3o h ASN 117 N 1.27 0.25 -0.69 0.00 -1.24 -1.03 -1.54 115.58 112.59 2k3o h ASN 117 Ca 0.33 -0.08 -0.03 0.00 0.71 0.00 0.00 56.30 57.23 2k3o h ASN 117 Cb -0.08 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 38.87 2k3o h ASN 117 CO -0.06 0.54 0.32 0.28 -1.29 0.00 0.00 177.43 177.21 2k3o h SER 118 N 0.22 0.91 0.91 1.15 0.02 -0.21 -2.61 113.55 113.94 2k3o h SER 118 Ca 0.03 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2k3o h SER 118 Cb 0.64 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2k3o h SER 118 CO 0.05 0.80 0.00 0.00 -1.14 0.00 0.00 176.83 176.54 2k3o n ALA 119 N -2.37 2.06 0.27 3.77 0.00 -0.73 -2.78 120.51 120.71 2k3o n ALA 119 Ca 0.05 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2k3o n ALA 119 Cb 0.14 -1.39 0.72 0.00 0.00 0.00 0.00 19.45 18.92 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 0.85 0.00 0.00 3.04 -0.88 -3.39 116.25 115.88 2k3o h VAL 120 Ca 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 2k3o h VAL 120 Cb 0.46 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 2k3o h VAL 120 CO 0.00 0.01 0.00 -0.24 -1.01 0.00 0.00 177.57 176.33 2k3o n SER 121 N -4.31 0.50 -1.24 3.17 2.88 -1.24 -4.92 113.62 108.46 2k3o n SER 121 Ca -0.03 0.08 -0.11 0.00 -1.33 0.00 0.00 58.87 57.48 2k3o n SER 121 Cb 0.09 -0.14 -0.05 0.00 -0.75 0.00 0.00 64.21 63.37 2k3o n SER 121 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k3o n GLY 122 N 3.36 1.02 2.07 0.46 0.00 -1.12 -2.13 105.19 108.86 2k3o n GLY 122 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2k3o n GLY 122 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k3o n ASN 123 N -0.24 -3.35 -0.00 1.61 3.02 -1.26 -4.83 115.26 110.21 2k3o n ASN 123 Ca -0.11 0.27 0.01 0.00 -0.03 0.00 0.00 54.58 54.72 2k3o n ASN 123 Cb 0.37 -3.07 -0.02 0.00 -0.61 0.00 0.00 39.78 36.46 2k3o n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k3o n TYR 124 N -2.25 0.00 0.56 3.10 4.11 -0.91 -4.73 117.16 117.04 2k3o n TYR 124 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.77 2k3o n TYR 124 Cb 0.46 -0.04 0.00 0.00 -0.00 0.00 0.00 39.34 39.76 2k3o n TYR 124 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.86 178.33 2k3o n LEU 125 N -1.40 0.05 0.00 -3.48 -0.00 -1.23 -4.76 117.00 106.18 2k3o n LEU 125 Ca -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 2k3o n LEU 125 Cb 0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.45 2k3o n LEU 125 CO 0.05 0.01 0.00 0.61 -0.00 0.00 0.00 177.39 178.07 2k3o n GLY 126 N -0.11 3.09 1.53 1.47 0.00 -1.26 -5.01 105.19 104.90 2k3o n GLY 126 Ca 0.00 -0.92 0.08 0.00 0.00 0.00 0.00 46.02 45.18 2k3o n GLY 126 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k3o n VAL 127 N 0.00 -2.03 -0.97 1.61 0.31 -1.26 -4.54 118.33 111.46 2k3o n VAL 127 Ca 0.00 1.24 -0.33 0.00 -0.01 0.00 0.00 64.34 65.25 2k3o n VAL 127 Cb 0.00 -2.00 -0.03 0.00 -0.91 0.00 0.00 33.84 30.90 2k3o n VAL 127 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2k3o n SER 128 N -3.45 3.79 -3.08 4.52 7.64 -1.26 -4.63 113.62 117.15 2k3o n SER 128 Ca -0.05 -2.51 -0.17 0.00 1.01 0.00 0.00 58.87 57.16 2k3o n SER 128 Cb 0.59 -1.13 -0.04 0.00 -1.01 0.00 0.00 64.21 62.62 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 5.56 0.45 0.00 1.43 0.00 -1.26 -5.32 117.38 118.25 2k3o n GLN 129 Ca 0.47 -2.64 0.00 0.00 -0.00 0.00 0.00 57.00 54.83 2k3o n GLN 129 Cb 0.27 -1.51 0.00 0.00 0.00 0.00 0.00 30.24 29.00 2k3o n GLN 129 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15