#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crw n SER 2 N 0.00 -4.04 -3.59 1.61 3.41 -1.26 -5.02 113.62 104.73 2crw n SER 2 Ca 0.00 0.29 -0.16 0.00 -0.26 0.00 0.00 58.87 58.75 2crw n SER 2 Cb 0.00 -0.97 -0.07 0.00 -0.26 0.00 0.00 64.21 62.91 2crw n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2crw s SER 3 N -1.42 -0.65 -0.53 4.04 0.01 -1.26 -5.12 113.70 108.76 2crw s SER 3 Ca 0.49 0.97 -0.22 0.00 1.31 0.00 0.00 55.95 58.50 2crw s SER 3 Cb -0.22 0.91 0.05 0.00 0.21 0.00 0.00 66.02 66.96 2crw s SER 3 CO 0.74 -0.43 0.80 -0.83 0.41 0.00 0.00 173.24 173.93 2crw s GLY 4 N -0.50 1.57 -0.25 3.44 0.00 -1.26 -4.98 107.32 105.34 2crw s GLY 4 Ca -0.06 -1.46 -0.02 0.00 0.00 0.00 0.00 44.72 43.18 2crw s GLY 4 CO 0.06 1.80 0.36 -1.35 0.00 0.00 0.00 173.10 173.96 2crw s SER 5 N 2.77 0.42 -0.43 1.64 1.04 -1.26 -5.12 113.70 112.76 2crw s SER 5 Ca 0.24 0.08 -0.11 0.00 0.48 0.00 0.00 55.95 56.63 2crw s SER 5 Cb -0.15 1.03 0.07 0.00 0.10 0.00 0.00 66.02 67.06 2crw s SER 5 CO 0.16 -0.31 0.30 -0.44 0.98 0.00 0.00 173.24 173.93 2crw s SER 6 N 2.52 5.82 0.00 7.02 0.01 -1.26 -4.92 113.70 122.88 2crw s SER 6 Ca 0.12 -1.41 0.00 0.00 1.31 0.00 0.00 55.95 55.97 2crw s SER 6 Cb -0.15 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.02 2crw s SER 6 CO -0.18 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.52 2crw n GLY 7 N 5.02 3.56 2.80 3.44 0.00 -1.26 -5.10 105.19 113.65 2crw n GLY 7 Ca -0.11 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.40 2crw n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2crw s MET 8 N -5.45 0.94 -0.40 1.61 -2.45 -1.26 -5.07 119.30 107.21 2crw s MET 8 Ca 0.00 -0.90 -0.21 0.00 -1.25 0.00 0.00 55.69 53.32 2crw s MET 8 Cb 0.00 -2.23 0.01 0.00 1.25 0.00 0.00 34.83 33.87 2crw s MET 8 CO 0.00 -0.79 0.68 0.20 1.05 0.00 0.00 175.02 176.16 2crw s GLY 9 N 1.60 1.70 0.81 2.11 0.00 -1.26 -5.03 107.32 107.25 2crw s GLY 9 Ca 0.03 -0.97 -0.17 0.00 0.00 0.00 0.00 44.72 43.60 2crw s GLY 9 CO -0.15 1.59 -0.53 2.09 0.00 0.00 0.00 173.10 176.11 2crw n ASP 10 N 6.29 -5.07 -4.71 1.64 5.68 -1.26 -4.82 116.55 114.31 2crw n ASP 10 Ca -0.00 0.36 -0.42 0.00 -0.50 0.00 0.00 54.79 54.23 2crw n ASP 10 Cb 0.48 -0.80 -0.03 0.00 -1.14 0.00 0.00 41.12 39.63 2crw n ASP 10 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 2crw s PRO 11 N -1.66 4.32 0.92 0.11 0.04 -1.26 -5.02 135.00 132.44 2crw s PRO 11 Ca 0.47 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 63.41 2crw s PRO 11 Cb -0.30 -3.33 0.15 0.00 0.04 0.00 0.00 34.50 31.06 2crw s PRO 11 CO 0.76 -0.46 1.19 -1.12 0.04 0.00 0.00 177.00 177.42 2crw s SER 12 N 1.29 3.51 0.08 6.66 0.01 -1.26 -4.75 113.70 119.24 2crw s SER 12 Ca 0.64 0.72 -0.24 0.00 1.31 0.00 0.00 55.95 58.39 2crw s SER 12 Cb -0.35 -1.12 -0.09 0.00 0.21 0.00 0.00 66.02 64.66 2crw s SER 12 CO 0.29 -2.52 1.38 0.50 0.41 0.00 0.00 173.24 173.31 2crw h LYS 13 N -1.48 -0.41 -0.94 12.44 1.63 -1.96 -0.95 116.57 124.90 2crw h LYS 13 Ca -0.47 0.03 0.14 0.00 -0.85 0.00 0.00 60.65 59.50 2crw h LYS 13 Cb 1.31 0.09 -0.15 0.00 -0.60 0.00 0.00 32.23 32.88 2crw h LYS 13 CO 0.56 -0.27 -0.39 0.37 -3.45 0.00 0.00 179.45 176.26 2crw h GLN 14 N -0.42 -0.02 -0.17 1.90 -0.00 -1.98 0.21 115.11 114.62 2crw h GLN 14 Ca 0.02 0.00 0.05 0.00 -0.00 0.00 0.00 58.65 58.72 2crw h GLN 14 Cb 0.48 0.01 -0.06 0.00 0.00 0.00 0.00 27.48 27.91 2crw h GLN 14 CO -0.29 -0.02 -0.21 -0.44 0.00 0.00 0.00 178.83 177.87 2crw h ASP 15 N -0.02 -0.67 -0.76 -0.69 3.32 -1.76 -1.71 116.42 114.13 2crw h ASP 15 Ca 0.32 0.12 0.09 0.00 0.02 0.00 0.00 57.03 57.58 2crw h ASP 15 Cb 0.58 0.31 -0.07 0.00 0.22 0.00 0.00 39.33 40.37 2crw h ASP 15 CO -0.95 -0.26 0.41 0.40 -1.72 0.00 0.00 179.24 177.13 2crw h ILE 16 N -0.25 0.89 -0.93 0.35 2.04 0.63 -0.83 117.51 119.41 2crw h ILE 16 Ca 0.11 -0.24 0.19 0.00 1.00 0.00 0.00 64.86 65.92 2crw h ILE 16 Cb 0.42 0.13 -0.08 0.00 -0.74 0.00 0.00 36.82 36.55 2crw h ILE 16 CO -0.32 0.13 0.60 -0.07 0.00 0.00 0.00 178.15 178.49 2crw h LEU 17 N 0.70 0.57 0.11 1.44 3.38 0.10 -2.86 115.31 118.75 2crw h LEU 17 Ca 0.37 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.39 2crw h LEU 17 Cb 0.35 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2crw h LEU 17 CO -0.25 0.23 -0.05 0.74 0.09 0.00 0.00 178.44 179.20 2crw h THR 18 N 0.57 0.00 -0.90 0.22 2.02 -0.83 0.25 112.91 114.25 2crw h THR 18 Ca 0.50 -0.03 0.32 0.00 0.77 0.00 0.00 66.41 67.96 2crw h THR 18 Cb 1.00 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.31 2crw h THR 18 CO -0.24 0.00 0.56 -0.38 0.37 0.00 0.00 175.52 175.83 2crw n ILE 19 N -2.50 -0.19 -0.06 3.11 -0.00 -1.10 0.00 119.36 118.62 2crw n ILE 19 Ca -0.02 1.25 -0.03 0.00 -0.00 0.00 0.00 62.75 63.96 2crw n ILE 19 Cb 0.06 -2.05 -0.02 0.00 -0.00 0.00 0.00 39.64 37.63 2crw n ILE 19 CO 0.00 0.00 0.00 -0.26 -0.00 0.00 0.00 176.55 176.29 2crw h PHE 20 N 0.00 0.00 -0.95 1.39 0.04 -1.42 -3.34 116.94 112.65 2crw h PHE 20 Ca 0.60 0.00 0.35 0.00 2.80 0.00 0.00 57.97 61.72 2crw h PHE 20 Cb 1.87 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 39.89 2crw h PHE 20 CO -0.00 0.12 0.58 0.36 -0.60 0.00 0.00 178.31 178.76 2crw n LYS 21 N -4.72 -0.04 -0.15 1.51 2.85 0.10 0.25 118.16 117.97 2crw n LYS 21 Ca -0.03 1.03 -0.09 0.00 -1.05 0.00 0.00 58.31 58.16 2crw n LYS 21 Cb 0.12 -1.94 -0.00 0.00 -0.65 0.00 0.00 35.03 32.56 2crw n LYS 21 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 2crw h ARG 22 N 0.00 0.63 0.08 -1.58 2.43 -1.43 -2.69 114.38 111.83 2crw h ARG 22 Ca 0.68 -0.11 -0.21 0.00 -0.81 0.00 0.00 59.98 59.53 2crw h ARG 22 Cb 2.02 -0.10 0.02 0.00 -0.42 0.00 0.00 29.97 31.49 2crw h ARG 22 CO -0.47 0.58 -0.86 -0.07 -1.51 0.00 0.00 179.97 177.64 2crw h LEU 23 N 0.54 0.62 -0.60 3.80 3.38 0.32 -3.34 115.31 120.04 2crw h LEU 23 Ca 0.14 -0.84 0.11 0.00 0.09 0.00 0.00 57.88 57.38 2crw h LEU 23 Cb 0.18 -0.20 -0.11 0.00 0.09 0.00 0.00 40.66 40.62 2crw h LEU 23 CO -0.01 1.39 -0.33 0.03 0.09 0.00 0.00 178.44 179.61 2crw h ARG 24 N -0.07 -0.15 -0.81 1.13 3.08 -0.46 -0.52 114.38 116.59 2crw h ARG 24 Ca -0.13 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.09 2crw h ARG 24 Cb 1.60 0.03 -0.15 0.00 0.08 0.00 0.00 29.97 31.53 2crw h ARG 24 CO 0.17 -0.10 -0.22 0.43 -1.07 0.00 0.00 179.97 179.18 2crw n SER 25 N -5.44 -0.32 -4.63 7.04 7.64 -1.02 -3.63 113.62 113.26 2crw n SER 25 Ca 0.04 1.39 -0.48 0.00 1.01 0.00 0.00 58.87 60.83 2crw n SER 25 Cb 0.36 -0.41 -0.05 0.00 -1.01 0.00 0.00 64.21 63.10 2crw n SER 25 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2crw n VAL 26 N -5.30 0.25 0.40 0.44 0.31 -0.20 -4.85 118.33 109.39 2crw n VAL 26 Ca 0.12 -0.06 0.11 0.00 -0.01 0.00 0.00 64.34 64.50 2crw n VAL 26 Cb 0.39 -1.20 0.48 0.00 -0.91 0.00 0.00 33.84 32.60 2crw n VAL 26 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2crw n PRO 27 N 2.70 0.18 0.01 5.55 -0.04 -1.26 -1.36 135.00 140.78 2crw n PRO 27 Ca 0.16 0.41 0.11 0.00 -0.04 0.00 0.00 63.50 64.15 2crw n PRO 27 Cb 0.25 -1.85 -0.03 0.00 -0.04 0.00 0.00 33.50 31.84 2crw n PRO 27 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2crw n THR 28 N -2.18 0.07 -0.07 0.52 -2.24 -1.26 -4.25 114.28 104.86 2crw n THR 28 Ca 0.02 -0.17 -0.05 0.00 -2.27 0.00 0.00 64.05 61.59 2crw n THR 28 Cb 0.22 0.46 -0.14 0.00 -2.10 0.00 0.00 70.33 68.77 2crw n THR 28 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2crw n ASN 29 N -1.79 0.60 -0.01 3.42 3.02 -0.92 -4.27 115.26 115.32 2crw n ASN 29 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 2crw n ASN 29 Cb 0.41 1.15 0.00 0.00 -0.61 0.00 0.00 39.78 40.72 2crw n ASN 29 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2crw n LYS 30 N -2.55 0.84 -4.23 3.52 2.85 -0.46 -4.68 118.16 113.45 2crw n LYS 30 Ca -0.23 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 56.83 2crw n LYS 30 Cb 0.95 -1.01 -0.16 0.00 -0.65 0.00 0.00 35.03 34.17 2crw n LYS 30 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2crw s VAL 31 N -1.98 0.58 -0.70 0.58 -7.23 -1.26 -1.05 120.40 109.34 2crw s VAL 31 Ca 0.00 -0.20 -0.30 0.00 -1.81 0.00 0.00 61.98 59.67 2crw s VAL 31 Cb 0.00 -0.56 -0.15 0.00 0.56 0.00 0.00 36.38 36.23 2crw s VAL 31 CO 0.00 0.21 2.50 0.00 -0.31 0.00 0.00 175.10 177.50 2crw n PHE 33 N 12.26 0.23 0.00 0.00 -0.00 -0.23 0.14 117.46 129.86 2crw n PHE 33 Ca 0.51 0.24 0.00 0.00 -0.00 0.00 0.00 57.45 58.20 2crw n PHE 33 Cb 0.24 -0.70 0.00 0.00 -0.00 0.00 0.00 39.48 39.02 2crw n PHE 33 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 2crw n ASP 34 N -4.14 0.00 -0.13 -2.13 -0.08 -1.26 -4.62 116.55 104.19 2crw n ASP 34 Ca 0.42 0.82 -0.28 0.00 -1.51 0.00 0.00 54.79 54.24 2crw n ASP 34 Cb 1.82 -0.41 -0.10 0.00 2.34 0.00 0.00 41.12 44.77 2crw n ASP 34 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2crw n GLY 36 N 1.37 1.29 3.67 0.00 0.00 0.38 -4.92 105.19 106.98 2crw n GLY 36 Ca -0.51 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.07 2crw n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crw n ALA 37 N 0.00 1.54 -1.77 4.61 0.00 -1.26 -4.17 120.51 119.46 2crw n ALA 37 Ca 0.00 0.27 -0.40 0.00 0.00 0.00 0.00 53.44 53.31 2crw n ALA 37 Cb 0.00 -2.59 -0.00 0.00 0.00 0.00 0.00 19.45 16.86 2crw n ALA 37 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2crw s LYS 38 N 3.69 4.02 -0.96 0.00 1.02 -1.26 -1.57 119.74 124.69 2crw s LYS 38 Ca 0.88 2.27 -0.00 0.00 0.02 0.00 0.00 55.97 59.13 2crw s LYS 38 Cb -0.53 -2.83 -0.00 0.00 -0.52 0.00 0.00 37.83 33.94 2crw s LYS 38 CO 0.43 -0.49 0.80 0.09 -0.92 0.00 0.00 175.35 175.26 2crw n ASN 39 N 0.25 -2.18 -4.54 2.83 4.13 -0.21 -4.87 115.26 110.68 2crw n ASN 39 Ca 0.03 -0.50 -0.29 0.00 1.68 0.00 0.00 54.58 55.50 2crw n ASN 39 Cb 0.42 -4.22 -0.06 0.00 -1.54 0.00 0.00 39.78 34.38 2crw n ASN 39 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2crw n PRO 40 N -3.49 1.60 -0.41 3.52 -0.04 -1.21 -4.82 135.00 130.16 2crw n PRO 40 Ca -0.23 -2.45 -0.10 0.00 -0.04 0.00 0.00 63.50 60.69 2crw n PRO 40 Cb 0.63 -3.70 -0.09 0.00 -0.04 0.00 0.00 33.50 30.31 2crw n PRO 40 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2crw n SER 41 N 14.11 -1.01 -4.69 3.54 3.41 -1.26 -4.30 113.62 123.42 2crw n SER 41 Ca 0.45 1.73 -0.41 0.00 -0.26 0.00 0.00 58.87 60.39 2crw n SER 41 Cb 0.46 -0.23 0.01 0.00 -0.26 0.00 0.00 64.21 64.19 2crw n SER 41 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2crw n TRP 42 N -5.23 1.99 -3.70 7.33 7.02 -1.09 -3.72 117.44 120.04 2crw n TRP 42 Ca 0.02 0.51 -0.13 0.00 -1.02 0.00 0.00 57.50 56.88 2crw n TRP 42 Cb 0.26 -2.35 -0.13 0.00 -2.42 0.00 0.00 31.31 26.67 2crw n TRP 42 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2crw s ALA 43 N -1.21 -0.61 -0.36 6.99 0.00 -0.90 -0.75 121.76 124.92 2crw s ALA 43 Ca 0.62 1.03 -0.20 0.00 0.00 0.00 0.00 51.96 53.41 2crw s ALA 43 Cb -0.51 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 21.83 2crw s ALA 43 CO 0.57 -0.35 0.63 0.45 0.00 0.00 0.00 175.76 177.07 2crw s SER 44 N 1.65 6.42 0.06 0.00 0.15 0.29 -1.97 113.70 120.29 2crw s SER 44 Ca -0.06 0.12 -0.20 0.00 0.70 0.00 0.00 55.95 56.51 2crw s SER 44 Cb -0.11 -2.32 -0.12 0.00 -1.71 0.00 0.00 66.02 61.76 2crw s SER 44 CO -0.09 -0.60 1.44 0.40 1.20 0.00 0.00 173.24 175.59 2crw h ILE 45 N 5.68 1.29 -0.64 6.45 2.04 -1.78 0.67 117.51 131.23 2crw h ILE 45 Ca -0.26 -1.05 0.06 0.00 1.00 0.00 0.00 64.86 64.60 2crw h ILE 45 Cb 1.11 1.61 -0.08 0.00 -0.74 0.00 0.00 36.82 38.72 2crw h ILE 45 CO 0.84 0.31 -0.38 0.41 0.00 0.00 0.00 178.15 179.33 2crw n THR 46 N -4.63 -0.44 0.51 -0.27 -1.04 -1.26 0.79 114.28 107.94 2crw n THR 46 Ca -0.05 1.97 0.08 0.00 -2.04 0.00 0.00 64.05 64.00 2crw n THR 46 Cb 0.28 -2.47 0.21 0.00 -1.82 0.00 0.00 70.33 66.53 2crw n THR 46 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2crw n TYR 47 N -4.47 0.63 -4.21 -1.42 4.02 -1.24 -4.50 117.16 105.96 2crw n TYR 47 Ca 0.01 -0.31 -0.32 0.00 -0.01 0.00 0.00 57.90 57.27 2crw n TYR 47 Cb 0.17 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.43 2crw n TYR 47 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2crw n GLY 48 N 1.24 -0.26 3.58 2.72 0.00 0.24 -4.51 105.19 108.21 2crw n GLY 48 Ca 0.16 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 46.05 2crw n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2crw s VAL 49 N -3.87 1.34 -0.09 1.61 -7.23 0.03 -1.78 120.40 110.42 2crw s VAL 49 Ca 0.27 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.42 2crw s VAL 49 Cb -0.15 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 2crw s VAL 49 CO 0.95 0.00 -0.00 -0.36 -0.31 0.00 0.00 175.10 175.38 2crw s PHE 50 N -3.00 3.15 0.21 2.82 0.08 -1.26 -0.54 117.98 119.43 2crw s PHE 50 Ca 0.27 0.18 0.01 0.00 0.12 0.00 0.00 56.93 57.50 2crw s PHE 50 Cb 0.07 -1.79 -0.05 0.00 -0.57 0.00 0.00 43.02 40.68 2crw s PHE 50 CO 0.13 0.45 0.07 -0.51 -0.10 0.00 0.00 175.22 175.26 2crw s LEU 51 N -0.84 1.74 0.43 -0.37 1.43 0.07 -1.07 118.68 120.08 2crw s LEU 51 Ca 0.13 -1.30 0.08 0.00 -1.03 0.00 0.00 54.13 52.01 2crw s LEU 51 Cb -0.11 0.08 -0.01 0.00 0.03 0.00 0.00 46.19 46.17 2crw s LEU 51 CO 0.02 -0.69 0.41 0.00 0.23 0.00 0.00 176.35 176.32 2crw h ILE 53 N 0.94 0.80 0.00 0.00 6.09 -1.95 0.17 117.51 123.56 2crw h ILE 53 Ca -0.40 -0.29 0.00 0.00 -1.37 0.00 0.00 64.86 62.79 2crw h ILE 53 Cb 1.27 -0.12 0.00 0.00 0.47 0.00 0.00 36.82 38.44 2crw h ILE 53 CO 0.56 0.16 0.00 0.47 -3.07 0.00 0.00 178.15 176.26 2crw n ASP 54 N -4.71 0.00 -0.25 2.19 8.00 -1.26 -3.49 116.55 117.03 2crw n ASP 54 Ca 0.21 0.54 -0.09 0.00 0.71 0.00 0.00 54.79 56.16 2crw n ASP 54 Cb 0.46 -0.22 -0.05 0.00 -0.02 0.00 0.00 41.12 41.29 2crw n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2crw n SER 56 N -5.38 0.15 -0.07 0.00 3.41 0.61 0.18 113.62 112.51 2crw n SER 56 Ca 0.02 0.95 -0.08 0.00 -0.26 0.00 0.00 58.87 59.51 2crw n SER 56 Cb 0.34 -0.47 -0.01 0.00 -0.26 0.00 0.00 64.21 63.81 2crw n SER 56 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2crw h GLY 57 N 0.00 0.33 0.07 5.00 0.00 -0.49 -1.47 103.07 106.52 2crw h GLY 57 Ca 0.59 -0.04 0.17 0.00 0.00 0.00 0.00 47.33 48.05 2crw h GLY 57 CO -0.33 0.02 0.42 0.23 0.00 0.00 0.00 176.54 176.87 2crw h SER 58 N 0.20 0.45 -0.24 0.19 0.87 0.18 -0.66 113.55 114.53 2crw h SER 58 Ca 0.12 0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.74 2crw h SER 58 Cb 0.10 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2crw h SER 58 CO -0.14 0.14 -0.08 0.45 -0.53 0.00 0.00 176.83 176.67 2crw h HIS 59 N 0.54 0.55 -0.42 2.24 3.86 -1.44 -2.87 115.15 117.61 2crw h HIS 59 Ca 0.49 -0.13 0.10 0.00 -1.16 0.00 0.00 60.37 59.68 2crw h HIS 59 Cb 0.79 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 29.11 2crw h HIS 59 CO -0.11 0.73 0.29 0.00 0.86 0.00 0.00 177.93 179.70 2crw h ARG 60 N 0.22 0.10 -0.04 2.45 3.08 -0.13 -2.02 114.38 118.04 2crw h ARG 60 Ca 0.06 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 2crw h ARG 60 Cb 0.56 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 2crw h ARG 60 CO 0.03 0.07 -0.03 1.03 -1.07 0.00 0.00 179.97 180.00 2crw h SER 61 N 0.10 0.09 -0.49 7.04 0.87 -1.01 -3.25 113.55 116.91 2crw h SER 61 Ca 0.20 -0.45 0.10 0.00 -1.23 0.00 0.00 61.79 60.41 2crw h SER 61 Cb 0.64 -0.03 -0.10 0.00 -0.44 0.00 0.00 62.40 62.48 2crw h SER 61 CO -0.02 0.52 -0.21 -0.07 -0.53 0.00 0.00 176.83 176.52 2crw h LEU 62 N -0.34 -0.73 0.00 2.23 3.38 -1.21 -3.47 115.31 115.18 2crw h LEU 62 Ca 0.01 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2crw h LEU 62 Cb 0.49 0.40 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2crw h LEU 62 CO 0.01 -0.24 0.00 0.61 0.09 0.00 0.00 178.44 178.91 2crw n GLY 63 N -1.40 4.16 0.46 0.83 0.00 -1.12 -4.81 105.19 103.31 2crw n GLY 63 Ca 0.04 -0.68 0.23 0.00 0.00 0.00 0.00 46.02 45.61 2crw n GLY 63 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2crw h VAL 64 N 0.00 0.10 -0.30 1.61 -1.51 -1.79 1.01 116.25 115.36 2crw h VAL 64 Ca 0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 66.70 65.30 2crw h VAL 64 Cb 0.00 0.22 -0.00 0.00 -2.13 0.00 0.00 31.29 29.38 2crw h VAL 64 CO 0.00 0.00 -0.48 1.12 -1.23 0.00 0.00 177.57 176.98 2crw h HIS 65 N 0.00 1.06 -0.00 5.19 -0.00 -1.96 -3.03 115.15 116.42 2crw h HIS 65 Ca 0.34 -0.36 -0.00 0.00 -0.00 0.00 0.00 60.37 60.34 2crw h HIS 65 Cb 2.21 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 29.41 2crw h HIS 65 CO 0.00 1.18 -0.00 1.25 -0.00 0.00 0.00 177.93 180.36 2crw h LEU 66 N 0.64 0.00 -6.60 6.12 5.85 0.72 -3.44 115.31 118.60 2crw h LEU 66 Ca 0.03 -0.69 -0.30 0.00 0.84 0.00 0.00 57.88 57.76 2crw h LEU 66 Cb 1.09 -0.00 -0.34 0.00 0.37 0.00 0.00 40.66 41.78 2crw h LEU 66 CO 0.11 0.69 -0.61 -0.44 -0.34 0.00 0.00 178.44 177.85 2crw s SER 67 N -5.90 1.36 0.10 1.25 0.01 -0.81 -4.96 113.70 104.75 2crw s SER 67 Ca -0.17 -0.42 -0.30 0.00 1.31 0.00 0.00 55.95 56.37 2crw s SER 67 Cb -0.00 0.55 -0.06 0.00 0.21 0.00 0.00 66.02 66.72 2crw s SER 67 CO 0.68 -0.35 1.12 0.12 0.41 0.00 0.00 173.24 175.22 2crw s PHE 68 N 2.38 3.54 -0.10 2.43 5.36 -1.14 -4.41 117.98 126.03 2crw s PHE 68 Ca 0.09 1.49 -0.01 0.00 -0.96 0.00 0.00 56.93 57.54 2crw s PHE 68 Cb -0.15 -3.31 -0.03 0.00 -0.34 0.00 0.00 43.02 39.19 2crw s PHE 68 CO -0.23 -0.80 -0.06 0.42 -1.46 0.00 0.00 175.22 173.10 2crw s ILE 69 N 0.48 3.78 -0.11 3.12 -1.09 -1.26 -2.80 121.20 123.31 2crw s ILE 69 Ca 0.54 -0.43 -0.09 0.00 -2.23 0.00 0.00 60.65 58.44 2crw s ILE 69 Cb -0.28 -2.59 0.04 0.00 -1.58 0.00 0.00 42.46 38.05 2crw s ILE 69 CO 0.31 0.56 0.29 -0.13 -1.23 0.00 0.00 174.94 174.75 2crw s ARG 70 N -0.35 0.31 0.74 2.79 1.81 -0.83 -5.01 118.95 118.41 2crw s ARG 70 Ca 0.05 0.48 -0.12 0.00 -1.72 0.00 0.00 55.73 54.43 2crw s ARG 70 Cb -0.12 0.07 0.04 0.00 -0.45 0.00 0.00 34.95 34.48 2crw s ARG 70 CO 0.02 -0.08 1.12 0.45 -0.68 0.00 0.00 175.30 176.13 2crw s SER 71 N 0.57 5.13 -0.11 0.23 0.15 -1.26 -2.13 113.70 116.28 2crw s SER 71 Ca -0.03 1.03 0.09 0.00 0.70 0.00 0.00 55.95 57.73 2crw s SER 71 Cb -0.05 -1.73 -0.13 0.00 -1.71 0.00 0.00 66.02 62.40 2crw s SER 71 CO -0.03 -1.53 0.02 0.35 1.20 0.00 0.00 173.24 173.24 2crw n THR 72 N -3.12 0.76 -0.09 6.45 -2.24 -1.24 -4.18 114.28 110.63 2crw n THR 72 Ca 0.07 -0.45 -0.13 0.00 -2.27 0.00 0.00 64.05 61.28 2crw n THR 72 Cb 0.58 -0.74 -0.05 0.00 -2.10 0.00 0.00 70.33 68.02 2crw n THR 72 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2crw n GLU 73 N -2.47 0.51 0.12 -0.78 1.02 -1.26 -4.61 120.64 113.18 2crw n GLU 73 Ca -0.19 0.47 -0.13 0.00 -0.02 0.00 0.00 57.16 57.29 2crw n GLU 73 Cb 0.85 -1.65 -0.08 0.00 -0.02 0.00 0.00 31.44 30.54 2crw n GLU 73 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2crw h LEU 74 N -1.00 -0.27 -9.25 -4.62 3.38 -1.98 -3.42 115.31 98.15 2crw h LEU 74 Ca -0.17 -0.21 -0.56 0.00 0.09 0.00 0.00 57.88 57.03 2crw h LEU 74 Cb 0.92 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 2crw h LEU 74 CO -0.10 0.09 0.57 -0.62 0.09 0.00 0.00 178.44 178.46 2crw s ASP 75 N -5.18 7.24 -0.15 -0.43 -1.08 -1.26 -4.92 116.67 110.89 2crw s ASP 75 Ca -0.14 1.52 0.17 0.00 -0.52 0.00 0.00 52.55 53.59 2crw s ASP 75 Cb 0.02 -2.55 0.44 0.00 -1.46 0.00 0.00 42.92 39.37 2crw s ASP 75 CO 0.58 -0.45 1.18 -1.20 0.52 0.00 0.00 175.17 175.80 2crw n SER 76 N 5.03 1.89 -1.62 -0.34 7.64 -1.26 -4.27 113.62 120.69 2crw n SER 76 Ca 0.09 -2.94 -0.14 0.00 1.01 0.00 0.00 58.87 56.89 2crw n SER 76 Cb 0.49 -0.41 0.08 0.00 -1.01 0.00 0.00 64.21 63.35 2crw n SER 76 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2crw n ASN 77 N -0.41 3.81 -4.77 6.43 3.02 -1.26 -4.56 115.26 117.52 2crw n ASN 77 Ca 0.16 -3.71 -0.39 0.00 -0.03 0.00 0.00 54.58 50.61 2crw n ASN 77 Cb 0.91 -0.40 -0.04 0.00 -0.61 0.00 0.00 39.78 39.64 2crw n ASN 77 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2crw s TRP 78 N -3.45 3.40 0.22 3.10 0.52 -1.26 -5.03 118.94 116.44 2crw s TRP 78 Ca 0.46 1.66 -0.10 0.00 0.02 0.00 0.00 56.10 58.14 2crw s TRP 78 Cb 0.39 -3.26 -0.07 0.00 -1.15 0.00 0.00 33.47 29.38 2crw s TRP 78 CO 0.00 -0.71 0.55 0.45 0.02 0.00 0.00 176.95 177.26 2crw s SER 79 N -1.11 6.64 0.34 2.95 0.15 -1.26 -4.48 113.70 116.93 2crw s SER 79 Ca 0.50 0.93 0.13 0.00 0.70 0.00 0.00 55.95 58.21 2crw s SER 79 Cb -0.29 -2.23 1.01 0.00 -1.71 0.00 0.00 66.02 62.80 2crw s SER 79 CO 0.37 -0.06 1.71 -0.50 1.20 0.00 0.00 173.24 175.96 2crw h TRP 80 N 2.62 0.91 0.53 3.44 4.06 -1.95 0.22 115.95 125.78 2crw h TRP 80 Ca -0.47 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.49 2crw h TRP 80 Cb 1.17 -0.25 0.01 0.00 -1.00 0.00 0.00 29.16 29.08 2crw h TRP 80 CO 0.62 -0.03 -0.26 0.35 -3.56 0.00 0.00 178.44 175.56 2crw h PHE 81 N 0.45 -0.66 -0.62 0.49 3.57 -1.93 -2.64 116.94 115.59 2crw h PHE 81 Ca 0.68 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 62.31 2crw h PHE 81 Cb 1.48 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 40.41 2crw h PHE 81 CO -0.01 -0.35 0.43 1.96 -2.23 0.00 0.00 178.31 178.12 2crw h GLN 82 N -1.08 0.17 0.67 1.11 4.20 -1.66 -1.89 115.11 116.63 2crw h GLN 82 Ca -0.07 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 2crw h GLN 82 Cb 0.61 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.36 2crw h GLN 82 CO 0.12 0.11 -0.32 -0.07 -0.67 0.00 0.00 178.83 178.00 2crw h LEU 83 N 0.17 -0.77 -0.99 1.46 3.38 -0.54 -3.11 115.31 114.91 2crw h LEU 83 Ca 0.30 0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.47 2crw h LEU 83 Cb 0.94 0.20 -0.10 0.00 0.09 0.00 0.00 40.66 41.79 2crw h LEU 83 CO -0.05 -0.48 0.60 0.03 0.09 0.00 0.00 178.44 178.63 2crw h ARG 84 N -1.04 0.78 -0.99 1.13 2.47 -1.09 -0.73 114.38 114.91 2crw h ARG 84 Ca -0.09 -0.05 0.35 0.00 -1.26 0.00 0.00 59.98 58.93 2crw h ARG 84 Cb 0.69 -0.18 -0.16 0.00 -1.65 0.00 0.00 29.97 28.68 2crw h ARG 84 CO 0.15 0.52 0.51 0.00 0.56 0.00 0.00 179.97 181.71 2crw h MET 86 N 0.18 0.84 0.51 0.00 2.86 -1.16 -2.63 114.93 115.52 2crw h MET 86 Ca 0.76 -0.35 -0.03 0.00 -2.06 0.00 0.00 59.70 58.02 2crw h MET 86 Cb 1.82 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 33.46 2crw h MET 86 CO -0.69 0.99 -0.25 1.96 1.06 0.00 0.00 176.91 179.98 2crw h GLN 87 N 0.72 -0.67 0.00 1.72 1.08 0.10 -2.97 115.11 115.09 2crw h GLN 87 Ca 0.09 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 2crw h GLN 87 Cb 0.77 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 2crw h GLN 87 CO 0.06 -0.40 0.18 1.33 -0.95 0.00 0.00 178.83 179.05 2crw n VAL 88 N -5.24 0.90 -0.09 -0.54 0.24 0.19 -4.53 118.33 109.25 2crw n VAL 88 Ca -0.09 0.70 0.00 0.00 -2.04 0.00 0.00 64.34 62.90 2crw n VAL 88 Cb 0.29 -1.70 0.00 0.00 -1.47 0.00 0.00 33.84 30.97 2crw n VAL 88 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2crw n GLY 89 N -1.30 3.66 0.00 7.63 0.00 -0.99 -4.97 105.19 109.22 2crw n GLY 89 Ca -0.01 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2crw n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2crw n GLY 90 N 5.00 4.52 0.49 -0.02 0.00 -0.73 -4.82 105.19 109.62 2crw n GLY 90 Ca 0.00 -1.36 -0.17 0.00 0.00 0.00 0.00 46.02 44.49 2crw n GLY 90 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2crw h ASN 91 N 0.00 -1.48 -0.27 1.61 4.21 -1.78 -2.85 115.58 115.01 2crw h ASN 91 Ca 0.00 0.14 0.06 0.00 1.21 0.00 0.00 56.30 57.71 2crw h ASN 91 Cb 0.00 0.52 -0.08 0.00 -1.12 0.00 0.00 38.32 37.64 2crw h ASN 91 CO 0.00 -0.60 -0.38 0.00 -1.29 0.00 0.00 177.43 175.16 2crw h ALA 92 N -0.73 -0.40 -0.61 -0.83 0.00 -1.94 -0.58 119.26 114.17 2crw h ALA 92 Ca -0.03 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2crw h ALA 92 Cb 0.81 0.76 -0.08 0.00 0.00 0.00 0.00 17.79 19.28 2crw h ALA 92 CO -0.18 -0.83 -0.34 0.43 0.00 0.00 0.00 179.25 178.33 2crw n SER 93 N -5.42 -0.61 -0.03 0.00 7.64 -1.09 0.30 113.62 114.41 2crw n SER 93 Ca -0.02 1.08 -0.13 0.00 1.01 0.00 0.00 58.87 60.81 2crw n SER 93 Cb 0.35 -0.15 -0.08 0.00 -1.01 0.00 0.00 64.21 63.31 2crw n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2crw h ALA 94 N 0.37 0.09 -1.46 -0.43 0.00 -1.35 0.15 119.26 116.63 2crw h ALA 94 Ca 0.11 -0.23 0.45 0.00 0.00 0.00 0.00 54.91 55.24 2crw h ALA 94 Cb 0.26 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 2crw h ALA 94 CO -0.57 -0.17 1.01 0.45 0.00 0.00 0.00 179.25 179.97 2crw n SER 95 N -4.79 0.07 -0.09 0.00 2.88 0.15 -1.31 113.62 110.54 2crw n SER 95 Ca -0.07 0.98 -0.17 0.00 -1.33 0.00 0.00 58.87 58.28 2crw n SER 95 Cb 0.25 -0.48 -0.06 0.00 -0.75 0.00 0.00 64.21 63.17 2crw n SER 95 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2crw n SER 96 N -3.94 1.57 -0.31 -3.46 3.41 -0.69 -4.35 113.62 105.85 2crw n SER 96 Ca 0.36 0.26 0.28 0.00 -0.26 0.00 0.00 58.87 59.52 2crw n SER 96 Cb 1.54 -0.62 0.50 0.00 -0.26 0.00 0.00 64.21 65.37 2crw n SER 96 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2crw n PHE 97 N -4.04 0.72 0.16 7.33 -0.00 0.51 0.98 117.46 123.13 2crw n PHE 97 Ca -0.30 0.73 -0.13 0.00 -0.00 0.00 0.00 57.45 57.75 2crw n PHE 97 Cb 0.64 -1.15 -0.08 0.00 -0.00 0.00 0.00 39.48 38.90 2crw n PHE 97 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.76 177.50 2crw h PHE 98 N 0.00 -0.41 0.41 -5.13 -1.00 -1.44 -2.75 116.94 106.63 2crw h PHE 98 Ca 0.68 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 61.43 2crw h PHE 98 Cb 2.00 0.14 0.00 0.00 3.61 0.00 0.00 35.95 41.70 2crw h PHE 98 CO -0.01 -0.07 -0.20 1.25 -1.61 0.00 0.00 178.31 177.68 2crw h HIS 99 N -0.83 -0.51 -0.98 -0.55 2.76 0.60 -1.92 115.15 113.72 2crw h HIS 99 Ca -0.05 -0.01 0.34 0.00 -2.20 0.00 0.00 60.37 58.45 2crw h HIS 99 Cb 0.52 0.17 -0.16 0.00 1.55 0.00 0.00 27.41 29.49 2crw h HIS 99 CO 0.03 -0.20 0.47 -0.56 -1.30 0.00 0.00 177.93 176.37 2crw h GLN 100 N -0.80 0.17 0.46 5.26 3.07 -0.30 -1.24 115.11 121.74 2crw h GLN 100 Ca -0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.65 2crw h GLN 100 Cb 0.54 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.06 2crw h GLN 100 CO 0.09 0.11 -0.22 0.45 0.09 0.00 0.00 178.83 179.36 2crw h HIS 101 N 0.18 -0.57 0.00 0.06 3.86 -1.36 -3.48 115.15 113.83 2crw h HIS 101 Ca 0.74 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.93 2crw h HIS 101 Cb 1.75 0.19 0.00 0.00 1.06 0.00 0.00 27.41 30.41 2crw h HIS 101 CO -0.08 -0.36 0.00 0.41 0.86 0.00 0.00 177.93 178.76 2crw n GLY 102 N 0.06 -0.26 3.29 2.45 0.00 -0.47 -5.12 105.19 105.15 2crw n GLY 102 Ca -0.08 0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 2crw n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crw n SER 104 N 5.42 4.71 -4.72 0.00 3.41 -1.26 -3.41 113.62 117.77 2crw n SER 104 Ca -0.06 -3.69 -0.41 0.00 -0.26 0.00 0.00 58.87 54.45 2crw n SER 104 Cb 0.50 -0.41 -0.04 0.00 -0.26 0.00 0.00 64.21 64.00 2crw n SER 104 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2crw s THR 105 N -5.05 4.73 -0.05 6.66 2.01 -1.26 -4.96 115.64 117.72 2crw s THR 105 Ca 0.49 1.90 0.05 0.00 0.31 0.00 0.00 61.69 64.44 2crw s THR 105 Cb 0.40 -4.25 -0.25 0.00 0.01 0.00 0.00 72.50 68.42 2crw s THR 105 CO -0.08 0.27 0.62 0.78 -0.69 0.00 0.00 174.62 175.52 2crw h ASN 106 N 6.12 0.18 -1.87 3.53 4.21 -1.98 -3.43 115.58 122.33 2crw h ASN 106 Ca -0.42 -0.36 -0.29 0.00 1.21 0.00 0.00 56.30 56.44 2crw h ASN 106 Cb 1.21 -0.06 0.16 0.00 -1.12 0.00 0.00 38.32 38.51 2crw h ASN 106 CO 0.73 1.32 -0.70 0.47 -1.29 0.00 0.00 177.43 177.96 2crw n ASP 107 N -3.24 -2.80 -0.05 5.81 8.00 -1.26 -4.88 116.55 118.13 2crw n ASP 107 Ca -0.21 -0.27 -0.08 0.00 0.71 0.00 0.00 54.79 54.94 2crw n ASP 107 Cb 1.05 -0.76 -0.04 0.00 -0.02 0.00 0.00 41.12 41.35 2crw n ASP 107 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2crw n THR 108 N -4.22 0.51 1.00 -3.53 -1.04 -1.26 -3.61 114.28 102.12 2crw n THR 108 Ca 0.03 -0.15 0.10 0.00 -2.04 0.00 0.00 64.05 61.99 2crw n THR 108 Cb 0.43 -1.30 0.53 0.00 -1.82 0.00 0.00 70.33 68.17 2crw n THR 108 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2crw n ASN 109 N -3.15 0.00 -0.00 8.00 2.85 -1.26 -2.70 115.26 119.00 2crw n ASN 109 Ca -0.17 -0.07 -0.03 0.00 -0.11 0.00 0.00 54.58 54.20 2crw n ASN 109 Cb 0.64 -0.26 -0.01 0.00 1.24 0.00 0.00 39.78 41.40 2crw n ASN 109 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2crw n ALA 110 N -1.26 2.75 -0.29 5.20 0.00 -1.26 -4.19 120.51 121.46 2crw n ALA 110 Ca 0.10 -0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.49 2crw n ALA 110 Cb 0.15 0.38 0.23 0.00 0.00 0.00 0.00 19.45 20.21 2crw n ALA 110 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2crw h LYS 111 N -0.13 0.56 0.00 0.00 3.64 -1.66 0.94 116.57 119.91 2crw h LYS 111 Ca -0.06 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.18 2crw h LYS 111 Cb 0.77 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 2crw h LYS 111 CO -0.04 0.37 -0.56 1.88 -2.27 0.00 0.00 179.45 178.83 2crw h TYR 112 N 0.57 0.00 -0.28 1.91 0.05 -1.75 -3.20 116.97 114.27 2crw h TYR 112 Ca 0.47 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.23 2crw h TYR 112 Cb 0.70 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.43 2crw h TYR 112 CO -0.11 0.50 0.02 0.09 -1.05 0.00 0.00 178.16 177.61 2crw n ASN 113 N -3.20 3.21 -4.90 3.88 3.02 0.23 -4.37 115.26 113.13 2crw n ASN 113 Ca 0.01 -2.46 -0.20 0.00 -0.03 0.00 0.00 54.58 51.90 2crw n ASN 113 Cb 0.74 -0.59 -0.02 0.00 -0.61 0.00 0.00 39.78 39.29 2crw n ASN 113 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2crw s SER 114 N -0.33 5.53 0.08 6.41 1.04 -0.63 -4.95 113.70 120.85 2crw s SER 114 Ca 0.25 -0.39 -0.24 0.00 0.48 0.00 0.00 55.95 56.05 2crw s SER 114 Cb 0.19 -1.06 -0.16 0.00 0.10 0.00 0.00 66.02 65.09 2crw s SER 114 CO 0.07 -0.38 1.69 -0.09 0.98 0.00 0.00 173.24 175.51 2crw h ARG 115 N 1.12 -0.10 -1.00 4.02 9.65 -1.90 -2.01 114.38 124.17 2crw h ARG 115 Ca -0.45 0.01 0.20 0.00 -1.10 0.00 0.00 59.98 58.64 2crw h ARG 115 Cb 1.25 0.02 -0.10 0.00 -1.39 0.00 0.00 29.97 29.76 2crw h ARG 115 CO 0.56 -0.03 0.62 0.00 2.80 0.00 0.00 179.97 183.92 2crw h ALA 116 N 0.79 1.81 0.19 2.80 0.00 -1.93 -0.42 119.26 122.50 2crw h ALA 116 Ca -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2crw h ALA 116 Cb 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2crw h ALA 116 CO 0.02 -0.18 -0.09 0.00 0.00 0.00 0.00 179.25 178.99 2crw h ALA 117 N 1.65 -0.25 0.28 0.00 0.00 -1.66 -3.09 119.26 116.19 2crw h ALA 117 Ca 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2crw h ALA 117 Cb 1.02 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2crw h ALA 117 CO -0.35 -0.47 -0.42 1.96 0.00 0.00 0.00 179.25 179.97 2crw h GLN 118 N -0.60 -0.74 -0.99 0.00 4.20 -0.60 -2.05 115.11 114.35 2crw h GLN 118 Ca -0.03 0.05 0.32 0.00 0.06 0.00 0.00 58.65 59.06 2crw h GLN 118 Cb 0.44 0.17 -0.18 0.00 0.30 0.00 0.00 27.48 28.21 2crw h GLN 118 CO 0.04 -0.49 0.23 -0.07 -0.67 0.00 0.00 178.83 177.87 2crw h LEU 119 N -0.76 -0.15 0.76 1.46 3.38 -1.19 0.46 115.31 119.27 2crw h LEU 119 Ca -0.01 0.27 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 2crw h LEU 119 Cb 0.72 0.39 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 2crw h LEU 119 CO -0.15 -0.37 -0.47 0.22 0.09 0.00 0.00 178.44 177.76 2crw h TYR 120 N 0.02 -1.25 -0.66 1.13 5.03 -1.28 -2.36 116.97 117.60 2crw h TYR 120 Ca 0.69 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 62.05 2crw h TYR 120 Cb 1.59 0.44 -0.08 0.00 1.55 0.00 0.00 36.73 40.24 2crw h TYR 120 CO -0.30 -0.70 -0.39 0.54 -1.32 0.00 0.00 178.16 175.99 2crw n ARG 121 N -5.41 -0.29 -0.18 1.82 1.74 0.13 -0.24 116.66 114.23 2crw n ARG 121 Ca -0.14 1.26 -0.04 0.00 -0.77 0.00 0.00 57.85 58.16 2crw n ARG 121 Cb 0.48 -1.86 0.03 0.00 -1.02 0.00 0.00 32.46 30.09 2crw n ARG 121 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2crw h GLU 122 N 0.00 -0.10 -0.60 5.56 5.08 -1.47 -0.89 114.58 122.16 2crw h GLU 122 Ca 0.11 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.59 2crw h GLU 122 Cb 0.27 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.43 2crw h GLU 122 CO -0.62 -0.07 -0.26 -0.22 -1.00 0.00 0.00 179.01 176.83 2crw h LYS 123 N -0.11 -0.10 -1.00 2.33 3.64 -0.06 0.24 116.57 121.52 2crw h LYS 123 Ca 0.25 0.01 0.22 0.00 -1.27 0.00 0.00 60.65 59.85 2crw h LYS 123 Cb 0.50 0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 32.23 2crw h LYS 123 CO -0.62 -0.07 0.59 0.82 -2.27 0.00 0.00 179.45 177.91 2crw h ILE 124 N -0.10 0.62 -0.33 2.00 1.08 -0.14 0.18 117.51 120.82 2crw h ILE 124 Ca 0.26 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 64.50 2crw h ILE 124 Cb 0.52 -0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 34.15 2crw h ILE 124 CO -0.67 0.12 0.18 0.50 -0.69 0.00 0.00 178.15 177.59 2crw h LYS 125 N 0.67 0.46 0.44 2.37 3.64 -0.28 -0.13 116.57 123.74 2crw h LYS 125 Ca 0.61 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.91 2crw h LYS 125 Cb 1.05 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2crw h LYS 125 CO -0.43 0.39 -0.22 1.03 -2.27 0.00 0.00 179.45 177.95 2crw h SER 126 N 0.42 -0.54 -0.27 4.20 0.87 -0.46 -2.25 113.55 115.51 2crw h SER 126 Ca 0.12 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.76 2crw h SER 126 Cb 0.06 0.14 -0.08 0.00 -0.44 0.00 0.00 62.40 62.09 2crw h SER 126 CO -0.02 -0.37 -0.34 -0.07 -0.53 0.00 0.00 176.83 175.50 2crw h LEU 127 N -0.61 -1.10 -0.92 2.23 3.38 -1.39 -0.71 115.31 116.20 2crw h LEU 127 Ca -0.06 0.17 0.26 0.00 0.09 0.00 0.00 57.88 58.35 2crw h LEU 127 Cb 0.47 0.49 -0.16 0.00 0.09 0.00 0.00 40.66 41.55 2crw h LEU 127 CO 0.09 -0.35 0.19 0.00 0.09 0.00 0.00 178.44 178.46 2crw h ALA 128 N 0.55 1.31 -0.35 1.53 0.00 -1.03 1.14 119.26 122.41 2crw h ALA 128 Ca 0.13 0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.33 2crw h ALA 128 Cb 0.55 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2crw h ALA 128 CO -0.46 -0.55 0.23 1.03 0.00 0.00 0.00 179.25 179.51 2crw h SER 129 N 0.12 0.32 -0.56 0.00 0.87 -0.50 0.15 113.55 113.95 2crw h SER 129 Ca 0.59 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 61.13 2crw h SER 129 Cb 1.24 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 63.10 2crw h SER 129 CO -0.75 0.22 0.28 1.56 -0.53 0.00 0.00 176.83 177.61 2crw h GLN 130 N 0.37 0.79 0.09 2.24 1.08 0.16 0.26 115.11 120.10 2crw h GLN 130 Ca 0.14 -0.11 -0.25 0.00 -1.45 0.00 0.00 58.65 56.98 2crw h GLN 130 Cb 0.10 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.39 2crw h GLN 130 CO -0.03 0.64 -1.14 0.00 -0.95 0.00 0.00 178.83 177.35 2crw h ALA 131 N 1.11 0.20 -0.01 3.87 0.00 -1.16 -2.64 119.26 120.63 2crw h ALA 131 Ca 0.19 -0.85 -0.00 0.00 0.00 0.00 0.00 54.91 54.24 2crw h ALA 131 Cb 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2crw h ALA 131 CO -0.03 0.99 -0.01 1.15 0.00 0.00 0.00 179.25 181.35 2crw h THR 132 N 0.08 1.34 -0.43 0.00 2.02 -0.56 -3.19 112.91 112.17 2crw h THR 132 Ca -0.10 -1.02 -0.07 0.00 0.77 0.00 0.00 66.41 65.98 2crw h THR 132 Cb 1.86 2.00 -0.02 0.00 -1.74 0.00 0.00 68.15 70.25 2crw h THR 132 CO 0.18 0.27 -0.04 0.08 0.37 0.00 0.00 175.52 176.39 2crw h ARG 133 N -0.39 0.72 -0.85 6.66 0.11 -0.60 0.37 114.38 120.39 2crw h ARG 133 Ca 0.00 -0.20 0.08 0.00 0.10 0.00 0.00 59.98 59.96 2crw h ARG 133 Cb 0.44 -0.08 -0.10 0.00 1.11 0.00 0.00 29.97 31.34 2crw h ARG 133 CO 0.00 0.76 -0.50 1.17 0.10 0.00 0.00 179.97 181.50 2crw n LYS 134 N -4.21 -0.37 0.00 0.08 4.81 -0.99 -4.20 118.16 113.28 2crw n LYS 134 Ca 0.02 1.29 0.00 0.00 -0.87 0.00 0.00 58.31 58.75 2crw n LYS 134 Cb 0.31 -1.90 0.00 0.00 0.02 0.00 0.00 35.03 33.46 2crw n LYS 134 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2crw n HIS 135 N -5.07 0.00 0.00 5.64 8.25 -1.21 -5.05 115.22 117.77 2crw n HIS 135 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2crw n HIS 135 Cb 0.23 0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.40 2crw n HIS 135 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2crw n GLY 136 N 2.72 2.39 0.01 -1.41 0.00 0.13 -4.37 105.19 104.66 2crw n GLY 136 Ca 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 46.02 45.53 2crw n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2crw n THR 137 N 0.00 0.13 -2.54 2.61 -2.24 -1.26 -4.83 114.28 106.15 2crw n THR 137 Ca 0.00 -0.05 -0.41 0.00 -2.27 0.00 0.00 64.05 61.32 2crw n THR 137 Cb 0.00 -0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 67.60 2crw n THR 137 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2crw s ASP 138 N -4.20 7.29 -0.72 3.42 1.11 -1.26 -4.95 116.67 117.35 2crw s ASP 138 Ca -0.03 2.05 -0.26 0.00 0.18 0.00 0.00 52.55 54.49 2crw s ASP 138 Cb 0.01 -2.60 -0.01 0.00 1.07 0.00 0.00 42.92 41.39 2crw s ASP 138 CO 0.05 -0.21 1.71 -0.76 1.18 0.00 0.00 175.17 177.14 2crw s LEU 139 N -0.27 3.25 0.29 1.23 1.43 -1.26 -4.61 118.68 118.74 2crw s LEU 139 Ca 0.49 -0.15 0.21 0.00 -1.03 0.00 0.00 54.13 53.65 2crw s LEU 139 Cb -0.29 -2.54 0.98 0.00 0.03 0.00 0.00 46.19 44.37 2crw s LEU 139 CO 0.34 -2.25 1.04 -2.67 0.23 0.00 0.00 176.35 173.04 2crw n TRP 140 N 11.88 0.51 -0.32 0.29 2.14 -1.26 -0.22 117.44 130.45 2crw n TRP 140 Ca 0.20 0.51 -0.02 0.00 2.07 0.00 0.00 57.50 60.27 2crw n TRP 140 Cb 0.50 -0.91 0.02 0.00 -0.81 0.00 0.00 31.31 30.11 2crw n TRP 140 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 2crw n LEU 141 N -4.07 -0.58 -4.97 5.67 4.77 -1.26 -4.44 117.00 112.12 2crw n LEU 141 Ca 0.27 1.45 -0.23 0.00 -0.03 0.00 0.00 56.01 57.47 2crw n LEU 141 Cb 1.02 -0.32 0.07 0.00 -2.33 0.00 0.00 43.42 41.86 2crw n LEU 141 CO 0.11 -1.29 0.47 1.51 -1.33 0.00 0.00 177.39 176.86 2crw s ASP 142 N -5.31 4.86 0.06 -1.43 -4.77 0.70 -5.09 116.67 105.69 2crw s ASP 142 Ca -0.11 -0.06 -0.09 0.00 -3.30 0.00 0.00 52.55 48.98 2crw s ASP 142 Cb 0.16 -0.60 -0.06 0.00 -1.09 0.00 0.00 42.92 41.33 2crw s ASP 142 CO 0.58 -1.48 0.37 -0.44 0.70 0.00 0.00 175.17 174.91 2crw s SER 143 N -4.55 6.61 -0.20 2.11 0.01 -1.26 -4.88 113.70 111.54 2crw s SER 143 Ca 0.61 0.75 -0.28 0.00 1.31 0.00 0.00 55.95 58.33 2crw s SER 143 Cb -0.09 -2.16 0.12 0.00 0.21 0.00 0.00 66.02 64.11 2crw s SER 143 CO 0.42 0.19 1.00 -0.94 0.41 0.00 0.00 173.24 174.32 2crw s SER 144 N -1.74 -0.41 0.00 2.44 1.04 -1.26 -5.11 113.70 108.67 2crw s SER 144 Ca 0.32 0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.32 2crw s SER 144 Cb -0.14 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2crw s SER 144 CO 0.18 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2crw n GLY 145 N 1.26 -0.83 0.00 7.32 0.00 -1.26 -4.92 105.19 106.76 2crw n GLY 145 Ca -0.11 0.31 0.05 0.00 0.00 0.00 0.00 46.02 46.27 2crw n GLY 145 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crw n PRO 146 N -0.59 0.49 -4.00 1.61 -0.04 -1.26 -4.72 135.00 126.49 2crw n PRO 146 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 2crw n PRO 146 Cb 0.00 -1.35 -0.06 0.00 -0.04 0.00 0.00 33.50 32.06 2crw n PRO 146 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2crw s SER 147 N -1.85 5.91 -0.09 3.54 0.15 -1.26 -5.11 113.70 114.98 2crw s SER 147 Ca 0.16 0.14 -0.00 0.00 0.70 0.00 0.00 55.95 56.95 2crw s SER 147 Cb 0.07 -1.71 -0.03 0.00 -1.71 0.00 0.00 66.02 62.65 2crw s SER 147 CO 0.12 0.19 -0.07 -0.94 1.20 0.00 0.00 173.24 173.74 2crw s SER 148 N -2.31 4.58 0.00 5.45 1.04 -1.26 -5.06 113.70 116.13 2crw s SER 148 Ca 0.30 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.65 2crw s SER 148 Cb -0.12 -1.32 0.00 0.00 0.10 0.00 0.00 66.02 64.67 2crw s SER 148 CO 0.23 0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.36