#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 1.75 0.02 1.61 7.64 -1.26 -4.93 113.62 118.45 2crw n SER 2 Ca 0.00 0.30 -0.02 0.00 1.01 0.00 0.00 58.87 60.16 2crw n SER 2 Cb 0.00 -0.73 -0.01 0.00 -1.01 0.00 0.00 64.21 62.46 2crw n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2crw n SER 3 N -4.13 1.18 0.00 6.43 7.64 -1.26 -5.11 113.62 118.38 2crw n SER 3 Ca -0.47 0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.58 2crw n SER 3 Cb 0.83 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 2crw n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2crw n GLY 4 N 3.02 0.32 3.51 0.23 0.00 -1.26 -5.09 105.19 105.92 2crw n GLY 4 Ca -0.03 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 2crw n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crw s SER 5 N 0.00 6.31 -0.30 1.61 0.01 -1.26 -4.95 113.70 115.13 2crw s SER 5 Ca 0.00 -0.45 -0.09 0.00 1.31 0.00 0.00 55.95 56.73 2crw s SER 5 Cb 0.00 -2.43 0.18 0.00 0.21 0.00 0.00 66.02 63.98 2crw s SER 5 CO 0.00 -1.23 0.83 -0.55 0.41 0.00 0.00 173.24 172.69 2crw s SER 6 N 2.92 -0.90 0.46 2.44 0.15 -1.26 -5.14 113.70 112.37 2crw s SER 6 Ca 0.29 0.73 0.08 0.00 0.70 0.00 0.00 55.95 57.75 2crw s SER 6 Cb -0.13 1.82 0.02 0.00 -1.71 0.00 0.00 66.02 66.02 2crw s SER 6 CO 0.18 -0.17 0.57 -0.83 1.20 0.00 0.00 173.24 174.18 2crw s GLY 7 N 2.83 1.97 0.16 9.45 0.00 -1.26 -5.14 107.32 115.33 2crw s GLY 7 Ca 0.07 -1.80 -0.11 0.00 0.00 0.00 0.00 44.72 42.87 2crw s GLY 7 CO -0.17 -1.61 0.33 -3.16 0.00 0.00 0.00 173.10 168.50 2crw s MET 8 N -4.37 1.18 0.00 2.90 0.00 -1.26 -5.17 119.30 112.58 2crw s MET 8 Ca 0.54 -1.07 0.00 0.00 0.00 0.00 0.00 55.69 55.16 2crw s MET 8 Cb -0.07 0.41 0.00 0.00 0.00 0.00 0.00 34.83 35.17 2crw s MET 8 CO 0.32 -0.45 0.00 0.41 0.00 0.00 0.00 175.02 175.31 2crw n GLY 9 N -0.23 -1.46 3.13 3.16 0.00 -1.26 -5.10 105.19 103.44 2crw n GLY 9 Ca -0.09 -1.60 -0.21 0.00 0.00 0.00 0.00 46.02 44.12 2crw n GLY 9 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2crw s ASP 10 N -1.15 1.64 0.16 1.61 -4.77 -1.26 -4.90 116.67 108.01 2crw s ASP 10 Ca 0.00 -0.38 -0.30 0.00 -3.30 0.00 0.00 52.55 48.56 2crw s ASP 10 Cb 0.00 -0.13 -0.08 0.00 -1.09 0.00 0.00 42.92 41.61 2crw s ASP 10 CO 0.00 0.08 1.33 -2.16 0.70 0.00 0.00 175.17 175.12 2crw s PRO 11 N -0.84 4.37 0.94 2.11 0.04 -1.26 -5.03 135.00 135.32 2crw s PRO 11 Ca 0.03 2.04 -0.15 0.00 0.04 0.00 0.00 61.00 62.96 2crw s PRO 11 Cb -0.07 -3.22 0.19 0.00 0.04 0.00 0.00 34.50 31.44 2crw s PRO 11 CO 0.01 -0.31 1.30 -1.12 0.04 0.00 0.00 177.00 176.91 2crw s SER 12 N 0.62 3.27 0.10 6.66 0.01 -1.26 -4.72 113.70 118.38 2crw s SER 12 Ca 0.59 0.27 -0.32 0.00 1.31 0.00 0.00 55.95 57.80 2crw s SER 12 Cb -0.36 -0.36 -0.13 0.00 0.21 0.00 0.00 66.02 65.37 2crw s SER 12 CO 0.35 -2.63 1.59 0.50 0.41 0.00 0.00 173.24 173.46 2crw h LYS 13 N -1.55 -0.76 -0.68 12.44 3.64 -1.96 -0.35 116.57 127.35 2crw h LYS 13 Ca -0.44 0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.11 2crw h LYS 13 Cb 1.24 0.17 -0.13 0.00 -0.41 0.00 0.00 32.23 33.11 2crw h LYS 13 CO 0.40 -0.51 -0.31 0.37 -2.27 0.00 0.00 179.45 177.14 2crw h GLN 14 N -0.79 -0.10 0.03 1.90 5.75 -1.99 0.40 115.11 120.32 2crw h GLN 14 Ca -0.02 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.50 2crw h GLN 14 Cb 0.72 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.28 2crw h GLN 14 CO -0.10 -0.07 -0.11 -0.44 -2.65 0.00 0.00 178.83 175.46 2crw h ASP 15 N -0.10 -0.31 -0.59 -0.69 3.32 -1.86 -1.79 116.42 114.40 2crw h ASP 15 Ca 0.28 0.04 0.07 0.00 0.02 0.00 0.00 57.03 57.44 2crw h ASP 15 Cb 0.56 0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 2crw h ASP 15 CO -0.74 -0.16 0.39 0.40 -1.72 0.00 0.00 179.24 177.40 2crw h ILE 16 N -0.21 0.97 -0.54 0.35 2.04 0.58 -1.48 117.51 119.22 2crw h ILE 16 Ca 0.03 -0.18 -0.07 0.00 1.00 0.00 0.00 64.86 65.64 2crw h ILE 16 Cb 0.24 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2crw h ILE 16 CO -0.09 0.10 0.06 -0.07 0.00 0.00 0.00 178.15 178.14 2crw h LEU 17 N 0.52 0.89 0.76 1.44 3.38 0.47 -2.94 115.31 119.83 2crw h LEU 17 Ca 0.26 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2crw h LEU 17 Cb 0.34 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.86 2crw h LEU 17 CO -0.07 0.94 -0.37 0.74 0.09 0.00 0.00 178.44 179.77 2crw h THR 18 N 0.80 0.01 -1.11 0.22 2.02 -0.49 0.25 112.91 114.61 2crw h THR 18 Ca 0.16 -0.25 0.40 0.00 0.77 0.00 0.00 66.41 67.49 2crw h THR 18 Cb 0.45 0.02 -0.15 0.00 -1.74 0.00 0.00 68.15 66.73 2crw h THR 18 CO 0.02 0.00 0.65 0.40 0.37 0.00 0.00 175.52 176.96 2crw h ILE 19 N -1.27 0.12 0.00 3.11 2.04 -1.43 -0.70 117.51 119.38 2crw h ILE 19 Ca -0.10 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2crw h ILE 19 Cb 0.79 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2crw h ILE 19 CO 0.17 0.02 -0.01 -0.26 0.00 0.00 0.00 178.15 178.08 2crw h PHE 20 N 0.11 0.00 -0.80 1.37 0.04 -1.40 -3.33 116.94 112.94 2crw h PHE 20 Ca 0.81 0.00 0.23 0.00 2.80 0.00 0.00 57.97 61.81 2crw h PHE 20 Cb 2.21 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 40.21 2crw h PHE 20 CO -0.01 0.00 0.05 0.36 -0.60 0.00 0.00 178.31 178.11 2crw n LYS 21 N -4.51 -0.06 -0.22 1.51 2.85 0.85 0.20 118.16 118.78 2crw n LYS 21 Ca -0.00 1.19 0.01 0.00 -1.05 0.00 0.00 58.31 58.46 2crw n LYS 21 Cb 0.00 -1.91 0.12 0.00 -0.65 0.00 0.00 35.03 32.60 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 0.44 0.02 -1.58 2.43 -1.31 -1.11 114.38 113.28 2crw h ARG 22 Ca 0.50 -0.03 -0.26 0.00 -0.81 0.00 0.00 59.98 59.38 2crw h ARG 22 Cb 1.06 -0.10 0.02 0.00 -0.42 0.00 0.00 29.97 30.52 2crw h ARG 22 CO -0.74 0.29 -1.04 -0.07 -1.51 0.00 0.00 179.97 176.90 2crw h LEU 23 N 0.46 0.76 -0.36 3.80 3.38 0.21 -3.30 115.31 120.25 2crw h LEU 23 Ca 0.33 -0.63 0.07 0.00 0.09 0.00 0.00 57.88 57.74 2crw h LEU 23 Cb 0.40 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 2crw h LEU 23 CO -0.31 1.43 -0.07 0.03 0.09 0.00 0.00 178.44 179.61 2crw h ARG 24 N 0.31 0.02 -0.94 1.13 3.08 0.15 -1.50 114.38 116.63 2crw h ARG 24 Ca -0.12 -0.00 0.35 0.00 0.07 0.00 0.00 59.98 60.28 2crw h ARG 24 Cb 1.70 -0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.57 2crw h ARG 24 CO 0.20 0.01 0.35 0.45 -1.07 0.00 0.00 179.97 179.91 2crw n SER 25 N -5.27 0.19 -4.76 7.04 2.88 -0.49 -3.66 113.62 109.55 2crw n SER 25 Ca 0.01 1.58 -0.41 0.00 -1.33 0.00 0.00 58.87 58.72 2crw n SER 25 Cb 0.20 -0.71 -0.01 0.00 -0.75 0.00 0.00 64.21 62.95 2crw n SER 25 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2crw n VAL 26 N -5.22 1.44 0.10 2.46 0.31 -0.57 -4.89 118.33 111.96 2crw n VAL 26 Ca 0.31 -0.36 -0.02 0.00 -0.01 0.00 0.00 64.34 64.26 2crw n VAL 26 Cb 1.06 -1.97 0.20 0.00 -0.91 0.00 0.00 33.84 32.22 2crw n VAL 26 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2crw h PRO 27 N 4.01 0.21 -0.00 5.55 0.13 -1.87 -0.34 132.00 139.69 2crw h PRO 27 Ca -0.49 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 2crw h PRO 27 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2crw h PRO 27 CO 0.73 0.64 -0.08 0.25 -0.23 0.00 0.00 178.00 179.31 2crw n THR 28 N -3.97 0.00 -0.07 1.56 -2.24 -1.26 -3.64 114.28 104.66 2crw n THR 28 Ca -0.02 -0.02 -0.07 0.00 -2.27 0.00 0.00 64.05 61.67 2crw n THR 28 Cb 0.52 -0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.37 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 -1.20 1.81 -0.08 3.42 3.02 -1.02 -4.35 115.26 116.86 2crw n ASN 29 Ca 0.12 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2crw n ASN 29 Cb 0.28 0.69 0.00 0.00 -0.61 0.00 0.00 39.78 40.14 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 -2.56 0.91 -4.04 3.52 2.85 -0.17 -4.66 118.16 114.01 2crw n LYS 30 Ca -0.23 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 56.81 2crw n LYS 30 Cb 0.92 -1.07 -0.17 0.00 -0.65 0.00 0.00 35.03 34.06 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 -1.84 0.57 -0.44 0.58 -7.23 -1.25 -1.07 120.40 109.72 2crw s VAL 31 Ca 0.00 -0.09 -0.41 0.00 -1.81 0.00 0.00 61.98 59.67 2crw s VAL 31 Cb 0.00 -0.63 -0.16 0.00 0.56 0.00 0.00 36.38 36.15 2crw s VAL 31 CO 0.00 0.26 2.12 0.00 -0.31 0.00 0.00 175.10 177.17 2crw h PHE 33 N 9.95 0.00 0.00 0.00 3.04 -1.65 1.50 116.94 129.78 2crw h PHE 33 Ca -0.19 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.76 2crw h PHE 33 Cb 1.38 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.89 2crw h PHE 33 CO 0.95 0.00 0.00 -3.47 -2.02 0.00 0.00 178.31 173.77 2crw n ASP 34 N -4.00 0.00 -0.12 0.41 -0.08 -1.26 -4.67 116.55 106.83 2crw n ASP 34 Ca 0.25 0.71 -0.25 0.00 -1.51 0.00 0.00 54.79 53.98 2crw n ASP 34 Cb 1.27 -0.44 -0.11 0.00 2.34 0.00 0.00 41.12 44.18 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 1.56 1.43 3.65 0.00 0.00 0.51 -4.91 105.19 107.43 2crw n GLY 36 Ca -0.47 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.06 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 0.66 -1.77 4.61 0.00 -1.26 -3.95 120.51 118.81 2crw n ALA 37 Ca 0.00 0.44 -0.39 0.00 0.00 0.00 0.00 53.44 53.49 2crw n ALA 37 Cb 0.00 -2.30 -0.01 0.00 0.00 0.00 0.00 19.45 17.14 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 1.37 4.07 -1.07 0.00 1.02 -1.26 -1.26 119.74 122.60 2crw s LYS 38 Ca 0.83 2.02 -0.01 0.00 0.02 0.00 0.00 55.97 58.83 2crw s LYS 38 Cb -0.77 -2.77 -0.01 0.00 -0.52 0.00 0.00 37.83 33.76 2crw s LYS 38 CO 0.43 -0.36 0.90 0.09 -0.92 0.00 0.00 175.35 175.49 2crw n ASN 39 N 0.22 -2.77 -4.58 2.83 4.13 -0.23 -4.86 115.26 110.01 2crw n ASN 39 Ca 0.03 -0.58 -0.28 0.00 1.68 0.00 0.00 54.58 55.43 2crw n ASN 39 Cb 0.45 -4.74 -0.06 0.00 -1.54 0.00 0.00 39.78 33.88 2crw n ASN 39 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2crw s PRO 40 N -5.07 2.49 0.07 3.52 0.04 -1.23 -4.83 135.00 129.99 2crw s PRO 40 Ca 0.07 -1.19 -0.14 0.00 0.04 0.00 0.00 61.00 59.79 2crw s PRO 40 Cb -0.01 -5.25 -0.03 0.00 0.04 0.00 0.00 34.50 29.25 2crw s PRO 40 CO 0.67 -4.00 1.23 0.66 0.04 0.00 0.00 177.00 175.60 2crw h SER 41 N 9.69 -0.92 -2.90 6.66 4.64 -1.89 -3.39 113.55 125.43 2crw h SER 41 Ca 0.22 0.14 -0.59 0.00 -0.47 0.00 0.00 61.79 61.09 2crw h SER 41 Cb 0.94 0.40 0.14 0.00 -0.31 0.00 0.00 62.40 63.57 2crw h SER 41 CO 1.22 -0.11 -0.04 0.79 -0.87 0.00 0.00 176.83 177.82 2crw n TRP 42 N -3.96 0.53 -3.68 4.77 7.02 -1.15 -3.73 117.44 117.24 2crw n TRP 42 Ca 0.01 0.55 -0.10 0.00 -1.02 0.00 0.00 57.50 56.94 2crw n TRP 42 Cb 0.12 -2.13 -0.11 0.00 -2.42 0.00 0.00 31.31 26.77 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 -1.39 -1.00 -0.25 6.99 0.00 -1.12 -1.01 121.76 123.98 2crw s ALA 43 Ca 0.65 1.41 -0.26 0.00 0.00 0.00 0.00 51.96 53.76 2crw s ALA 43 Cb -0.55 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 21.47 2crw s ALA 43 CO 0.56 -0.53 0.90 0.45 0.00 0.00 0.00 175.76 177.13 2crw s SER 44 N 2.07 6.89 -0.05 0.00 0.15 0.27 -2.41 113.70 120.62 2crw s SER 44 Ca -0.05 1.09 -0.24 0.00 0.70 0.00 0.00 55.95 57.46 2crw s SER 44 Cb -0.11 -2.47 -0.25 0.00 -1.71 0.00 0.00 66.02 61.48 2crw s SER 44 CO -0.12 -0.59 0.98 0.40 1.20 0.00 0.00 173.24 175.10 2crw h ILE 45 N 5.48 1.55 -0.90 6.45 2.04 -1.73 0.17 117.51 130.56 2crw h ILE 45 Ca -0.22 -2.15 0.19 0.00 1.00 0.00 0.00 64.86 63.68 2crw h ILE 45 Cb 1.08 2.91 -0.11 0.00 -0.74 0.00 0.00 36.82 39.97 2crw h ILE 45 CO 0.91 0.59 0.46 0.74 0.00 0.00 0.00 178.15 180.85 2crw h THR 46 N -0.47 0.61 -0.52 -0.27 2.02 -1.93 0.16 112.91 112.50 2crw h THR 46 Ca -0.06 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2crw h THR 46 Cb 1.19 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2crw h THR 46 CO 0.08 0.10 0.00 -1.22 0.37 0.00 0.00 175.52 174.85 2crw n TYR 47 N -4.93 0.94 -3.96 3.16 4.02 -1.24 -4.27 117.16 110.88 2crw n TYR 47 Ca 0.21 -0.58 -0.30 0.00 -0.01 0.00 0.00 57.90 57.22 2crw n TYR 47 Cb 0.57 -0.12 -0.04 0.00 -0.02 0.00 0.00 39.34 39.73 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 0.85 -0.33 3.08 2.72 0.00 0.55 -4.84 105.19 107.21 2crw n GLY 48 Ca 0.20 0.19 -0.08 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.98 0.29 0.07 1.61 -7.23 0.38 -2.68 120.40 108.85 2crw s VAL 49 Ca 0.17 -1.60 -0.14 0.00 -1.81 0.00 0.00 61.98 58.60 2crw s VAL 49 Cb -0.09 -1.23 -0.06 0.00 0.56 0.00 0.00 36.38 35.55 2crw s VAL 49 CO 0.77 -0.84 0.46 -0.36 -0.31 0.00 0.00 175.10 174.82 2crw s PHE 50 N -3.22 3.66 0.19 2.82 0.08 -1.26 0.95 117.98 121.20 2crw s PHE 50 Ca 0.02 0.98 -0.01 0.00 0.12 0.00 0.00 56.93 58.04 2crw s PHE 50 Cb 0.03 -2.29 -0.04 0.00 -0.57 0.00 0.00 43.02 40.14 2crw s PHE 50 CO -0.07 0.54 0.11 -0.51 -0.10 0.00 0.00 175.22 175.19 2crw s LEU 51 N -1.58 1.36 0.06 -0.37 1.43 -0.18 -1.75 118.68 117.65 2crw s LEU 51 Ca 0.31 -1.34 0.06 0.00 -1.03 0.00 0.00 54.13 52.13 2crw s LEU 51 Cb -0.16 0.31 -0.04 0.00 0.03 0.00 0.00 46.19 46.34 2crw s LEU 51 CO 0.17 -0.80 -0.13 0.00 0.23 0.00 0.00 176.35 175.82 2crw n ILE 53 N 1.20 -0.26 0.00 0.00 0.13 -1.26 0.25 119.36 119.43 2crw n ILE 53 Ca -0.15 1.27 -0.00 0.00 -1.10 0.00 0.00 62.75 62.77 2crw n ILE 53 Cb 0.52 -2.04 -0.00 0.00 -0.84 0.00 0.00 39.64 37.29 2crw n ILE 53 CO 0.00 0.00 0.00 -0.78 2.80 0.00 0.00 176.55 178.57 2crw h ASP 54 N 0.00 -0.01 0.46 9.51 1.82 -2.01 -3.07 116.42 123.12 2crw h ASP 54 Ca 0.51 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 57.13 2crw h ASP 54 Cb 1.32 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.32 2crw h ASP 54 CO -0.49 -0.01 -0.30 0.00 -1.61 0.00 0.00 179.24 176.83 2crw n SER 56 N -5.43 0.10 -0.05 0.00 3.41 0.14 0.16 113.62 111.94 2crw n SER 56 Ca -0.11 0.88 -0.08 0.00 -0.26 0.00 0.00 58.87 59.29 2crw n SER 56 Cb 0.33 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 63.83 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 0.27 0.21 5.00 0.00 -1.31 -2.15 103.07 105.09 2crw h GLY 57 Ca 0.63 -0.03 0.11 0.00 0.00 0.00 0.00 47.33 48.04 2crw h GLY 57 CO -0.22 0.01 0.11 0.23 0.00 0.00 0.00 176.54 176.67 2crw h SER 58 N 0.16 -0.03 -0.27 0.19 0.87 0.14 -1.50 113.55 113.12 2crw h SER 58 Ca 0.10 0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.79 2crw h SER 58 Cb 0.09 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 2crw h SER 58 CO -0.12 0.00 0.13 0.45 -0.53 0.00 0.00 176.83 176.76 2crw h HIS 59 N 0.24 0.24 -0.96 2.24 3.86 -1.50 -2.13 115.15 117.13 2crw h HIS 59 Ca 0.30 0.01 0.15 0.00 -1.16 0.00 0.00 60.37 59.67 2crw h HIS 59 Cb 0.44 -0.07 -0.08 0.00 1.06 0.00 0.00 27.41 28.75 2crw h HIS 59 CO -0.25 0.13 0.61 0.00 0.86 0.00 0.00 177.93 179.27 2crw h ARG 60 N 0.27 0.77 -0.22 2.45 3.08 -0.66 -1.43 114.38 118.64 2crw h ARG 60 Ca 0.11 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 2crw h ARG 60 Cb 0.04 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 2crw h ARG 60 CO -0.08 0.51 0.14 0.77 -1.07 0.00 0.00 179.97 180.24 2crw h SER 61 N 0.80 0.27 -0.29 7.04 0.02 -0.69 -3.05 113.55 117.64 2crw h SER 61 Ca 0.50 -0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.47 2crw h SER 61 Cb 0.71 -0.07 -0.08 0.00 0.14 0.00 0.00 62.40 63.10 2crw h SER 61 CO -0.26 0.23 -0.37 -0.07 -1.14 0.00 0.00 176.83 175.22 2crw h LEU 62 N 0.28 -1.20 0.00 5.07 3.38 -1.01 -3.47 115.31 118.36 2crw h LEU 62 Ca 0.08 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2crw h LEU 62 Cb 0.01 0.53 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2crw h LEU 62 CO -0.02 -0.36 0.00 0.61 0.09 0.00 0.00 178.44 178.76 2crw n GLY 63 N -1.42 3.82 0.45 0.83 0.00 -1.13 -4.81 105.19 102.93 2crw n GLY 63 Ca -0.01 -0.52 0.37 0.00 0.00 0.00 0.00 46.02 45.85 2crw n GLY 63 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2crw n VAL 64 N 0.00 -0.16 -0.08 1.61 0.24 -1.26 0.21 118.33 118.89 2crw n VAL 64 Ca 0.00 1.44 -0.10 0.00 -2.04 0.00 0.00 64.34 63.63 2crw n VAL 64 Cb 0.00 -2.36 -0.03 0.00 -1.47 0.00 0.00 33.84 29.97 2crw n VAL 64 CO 0.00 0.00 0.00 1.12 -2.14 0.00 0.00 176.83 175.81 2crw h HIS 65 N 0.00 0.43 -0.03 6.34 -0.00 -1.96 -2.57 115.15 117.36 2crw h HIS 65 Ca 0.75 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 61.07 2crw h HIS 65 Cb 2.58 -0.12 -0.00 0.00 -0.00 0.00 0.00 27.41 29.87 2crw h HIS 65 CO -0.00 0.48 -0.01 1.25 -0.00 0.00 0.00 177.93 179.65 2crw h LEU 66 N 0.26 0.05 -6.52 6.12 5.85 0.21 -3.43 115.31 117.85 2crw h LEU 66 Ca 0.08 -0.39 -0.25 0.00 0.84 0.00 0.00 57.88 58.17 2crw h LEU 66 Cb 0.25 -0.01 -0.32 0.00 0.37 0.00 0.00 40.66 40.95 2crw h LEU 66 CO -0.00 0.43 -0.57 -0.55 -0.34 0.00 0.00 178.44 177.41 2crw s SER 67 N -5.65 0.94 0.05 1.25 0.15 -0.63 -4.92 113.70 104.88 2crw s SER 67 Ca -0.15 -0.26 -0.30 0.00 0.70 0.00 0.00 55.95 55.94 2crw s SER 67 Cb 0.03 0.78 -0.04 0.00 -1.71 0.00 0.00 66.02 65.07 2crw s SER 67 CO 0.68 -0.34 1.03 0.12 1.20 0.00 0.00 173.24 175.93 2crw s PHE 68 N 2.44 3.64 -0.09 3.44 2.19 -0.97 -4.30 117.98 124.33 2crw s PHE 68 Ca 0.10 1.63 0.00 0.00 0.33 0.00 0.00 56.93 58.99 2crw s PHE 68 Cb -0.15 -3.18 -0.03 0.00 -1.31 0.00 0.00 43.02 38.36 2crw s PHE 68 CO -0.22 -0.28 -0.08 0.42 1.83 0.00 0.00 175.22 176.89 2crw s ILE 69 N 0.73 3.59 -0.12 3.12 -1.09 -1.26 -2.36 121.20 123.80 2crw s ILE 69 Ca 0.52 -0.50 -0.06 0.00 -2.23 0.00 0.00 60.65 58.38 2crw s ILE 69 Cb -0.24 -2.49 0.05 0.00 -1.58 0.00 0.00 42.46 38.20 2crw s ILE 69 CO 0.29 0.57 0.29 -0.13 -1.23 0.00 0.00 174.94 174.73 2crw s ARG 70 N -0.40 0.25 0.84 2.79 1.81 -1.01 -5.00 118.95 118.22 2crw s ARG 70 Ca 0.06 0.62 -0.11 0.00 -1.72 0.00 0.00 55.73 54.58 2crw s ARG 70 Cb -0.12 -0.08 0.09 0.00 -0.45 0.00 0.00 34.95 34.39 2crw s ARG 70 CO 0.02 -0.17 1.09 0.45 -0.68 0.00 0.00 175.30 176.01 2crw s SER 71 N 1.39 3.98 -0.13 0.23 0.15 -1.26 -2.79 113.70 115.26 2crw s SER 71 Ca -0.09 1.66 0.16 0.00 0.70 0.00 0.00 55.95 58.38 2crw s SER 71 Cb -0.10 -2.35 -0.22 0.00 -1.71 0.00 0.00 66.02 61.64 2crw s SER 71 CO -0.10 -2.34 0.13 0.35 1.20 0.00 0.00 173.24 172.48 2crw n THR 72 N -3.71 0.90 -0.10 6.45 -2.24 -1.24 -4.38 114.28 109.95 2crw n THR 72 Ca 0.08 -0.64 -0.19 0.00 -2.27 0.00 0.00 64.05 61.03 2crw n THR 72 Cb 0.54 -0.41 -0.08 0.00 -2.10 0.00 0.00 70.33 68.27 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 -2.51 0.47 -0.67 -0.78 -0.58 -1.26 -4.53 120.64 110.78 2crw n GLU 73 Ca -0.22 0.16 -0.10 0.00 -0.42 0.00 0.00 57.16 56.58 2crw n GLU 73 Cb 0.92 -1.31 0.03 0.00 -0.57 0.00 0.00 31.44 30.51 2crw n GLU 73 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2crw n LEU 74 N -3.58 5.62 -3.28 -4.62 4.77 -1.26 -4.68 117.00 109.96 2crw n LEU 74 Ca -0.39 -2.80 0.03 0.00 -0.03 0.00 0.00 56.01 52.82 2crw n LEU 74 Cb 0.83 -0.96 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 2crw n LEU 74 CO 0.10 1.03 0.60 -1.81 -1.33 0.00 0.00 177.39 175.98 2crw s ASP 75 N 0.63 -0.55 -0.26 -1.43 1.01 -1.26 -4.79 116.67 110.02 2crw s ASP 75 Ca 0.20 0.57 0.09 0.00 0.71 0.00 0.00 52.55 54.12 2crw s ASP 75 Cb 0.16 1.55 0.44 0.00 1.01 0.00 0.00 42.92 46.09 2crw s ASP 75 CO 0.01 -0.10 1.22 -1.20 0.21 0.00 0.00 175.17 175.30 2crw n SER 76 N 5.14 3.51 -2.09 0.27 7.64 -1.26 -4.62 113.62 122.21 2crw n SER 76 Ca -0.08 -3.82 -0.22 0.00 1.01 0.00 0.00 58.87 55.76 2crw n SER 76 Cb 0.53 -0.43 0.02 0.00 -1.01 0.00 0.00 64.21 63.32 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 -0.90 4.63 -4.81 6.43 3.02 -1.26 -4.70 115.26 117.68 2crw n ASN 77 Ca 0.33 -3.60 -0.35 0.00 -0.03 0.00 0.00 54.58 50.93 2crw n ASN 77 Cb 0.85 -0.35 -0.06 0.00 -0.61 0.00 0.00 39.78 39.60 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 -3.62 3.55 -0.09 3.10 0.52 -1.26 -5.06 118.94 116.07 2crw s TRP 78 Ca 0.49 1.59 -0.10 0.00 0.02 0.00 0.00 56.10 58.10 2crw s TRP 78 Cb 0.40 -2.79 -0.05 0.00 -1.15 0.00 0.00 33.47 29.88 2crw s TRP 78 CO 0.03 0.14 0.22 -1.54 0.02 0.00 0.00 176.95 175.82 2crw s SER 79 N -1.85 6.50 0.29 2.95 1.04 -1.26 -4.32 113.70 117.05 2crw s SER 79 Ca 0.52 0.59 0.13 0.00 0.48 0.00 0.00 55.95 57.68 2crw s SER 79 Cb -0.15 -2.13 0.99 0.00 0.10 0.00 0.00 66.02 64.83 2crw s SER 79 CO 0.20 0.36 1.30 0.79 0.98 0.00 0.00 173.24 176.86 2crw n TRP 80 N 2.10 0.85 0.29 5.02 7.02 -1.26 -0.22 117.44 131.25 2crw n TRP 80 Ca -0.18 0.98 -0.12 0.00 -1.02 0.00 0.00 57.50 57.16 2crw n TRP 80 Cb 0.54 -1.32 -0.06 0.00 -2.42 0.00 0.00 31.31 28.05 2crw n TRP 80 CO 0.00 0.00 0.00 0.35 -2.02 0.00 0.00 177.69 176.02 2crw h PHE 81 N 0.00 -0.73 -1.01 -5.99 3.04 -1.93 -2.46 116.94 107.87 2crw h PHE 81 Ca 0.65 -0.02 0.27 0.00 3.98 0.00 0.00 57.97 62.85 2crw h PHE 81 Cb 1.64 0.24 -0.06 0.00 2.56 0.00 0.00 35.95 40.33 2crw h PHE 81 CO -0.11 -0.45 0.69 1.96 -2.02 0.00 0.00 178.31 178.38 2crw h GLN 82 N -1.07 0.16 0.18 1.11 4.20 -0.99 -0.72 115.11 117.98 2crw h GLN 82 Ca -0.08 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 2crw h GLN 82 Cb 0.60 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2crw h GLN 82 CO 0.13 0.11 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.24 2crw h LEU 83 N 0.17 -0.20 -1.00 1.46 3.38 -0.66 -3.22 115.31 115.23 2crw h LEU 83 Ca 0.51 0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.72 2crw h LEU 83 Cb 1.71 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 42.39 2crw h LEU 83 CO -0.11 -0.11 0.59 0.03 0.09 0.00 0.00 178.44 178.93 2crw h ARG 84 N -0.30 0.61 -0.46 1.13 2.47 -0.98 0.25 114.38 117.10 2crw h ARG 84 Ca -0.02 -0.04 0.13 0.00 -1.26 0.00 0.00 59.98 58.79 2crw h ARG 84 Cb 0.18 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 2crw h ARG 84 CO 0.04 0.40 0.84 0.00 0.56 0.00 0.00 179.97 181.81 2crw h MET 86 N 0.00 0.33 0.00 0.00 2.86 -0.58 -3.32 114.93 114.22 2crw h MET 86 Ca 0.22 -0.56 -0.08 0.00 -2.06 0.00 0.00 59.70 57.21 2crw h MET 86 Cb 1.90 0.21 -0.01 0.00 0.06 0.00 0.00 31.60 33.76 2crw h MET 86 CO -0.00 1.27 -0.40 1.96 1.06 0.00 0.00 176.91 180.80 2crw h GLN 87 N -0.00 0.00 -0.74 1.72 4.20 0.49 -2.82 115.11 117.96 2crw h GLN 87 Ca -0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.35 2crw h GLN 87 Cb 2.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.78 2crw h GLN 87 CO 0.13 0.40 0.00 1.33 -0.67 0.00 0.00 178.83 180.01 2crw n VAL 88 N -3.51 1.53 0.00 -0.54 0.24 0.92 -4.72 118.33 112.26 2crw n VAL 88 Ca -0.00 -0.79 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 2crw n VAL 88 Cb 0.54 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 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 0.42 1.25 0.00 7.63 0.00 -1.07 -4.80 105.19 108.61 2crw n GLY 89 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 1.22 2.00 0.00 -0.02 0.00 -1.09 -4.54 105.19 102.76 2crw n GLY 90 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.07 2crw n GLY 90 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2crw n ASN 91 N 0.00 0.00 -0.35 1.61 4.13 -1.26 -3.91 115.26 115.48 2crw n ASN 91 Ca 0.00 0.71 0.05 0.00 1.68 0.00 0.00 54.58 57.02 2crw n ASN 91 Cb 0.00 -0.49 0.13 0.00 -1.54 0.00 0.00 39.78 37.88 2crw n ASN 91 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2crw h ALA 92 N -2.00 0.61 -0.71 5.41 0.00 -1.92 0.12 119.26 120.78 2crw h ALA 92 Ca 0.00 0.37 0.14 0.00 0.00 0.00 0.00 54.91 55.42 2crw h ALA 92 Cb 0.00 0.75 -0.13 0.00 0.00 0.00 0.00 17.79 18.41 2crw h ALA 92 CO 0.00 -0.40 -0.19 0.43 0.00 0.00 0.00 179.25 179.09 2crw n SER 93 N -5.61 -0.29 -0.02 0.00 7.64 -1.25 -0.03 113.62 114.06 2crw n SER 93 Ca 0.15 1.22 -0.12 0.00 1.01 0.00 0.00 58.87 61.12 2crw n SER 93 Cb 0.48 -0.35 -0.10 0.00 -1.01 0.00 0.00 64.21 63.23 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 1.34 -0.06 -0.93 -0.43 0.00 -0.90 -0.97 119.26 117.31 2crw h ALA 94 Ca 0.32 -0.33 0.35 0.00 0.00 0.00 0.00 54.91 55.25 2crw h ALA 94 Cb 0.50 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.19 2crw h ALA 94 CO -0.72 -0.16 0.57 0.45 0.00 0.00 0.00 179.25 179.39 2crw n SER 95 N -4.78 0.20 -0.10 0.00 2.88 0.95 -1.00 113.62 111.78 2crw n SER 95 Ca -0.08 1.13 -0.17 0.00 -1.33 0.00 0.00 58.87 58.42 2crw n SER 95 Cb 0.33 -0.55 -0.07 0.00 -0.75 0.00 0.00 64.21 63.17 2crw n SER 95 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2crw n SER 96 N -4.40 1.89 -0.27 -3.46 2.88 -0.68 -4.29 113.62 105.29 2crw n SER 96 Ca 0.30 0.43 0.02 0.00 -1.33 0.00 0.00 58.87 58.29 2crw n SER 96 Cb 1.11 -0.85 0.07 0.00 -0.75 0.00 0.00 64.21 63.79 2crw n SER 96 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 2crw n PHE 97 N -4.43 0.16 -0.10 0.66 -0.00 -0.17 0.13 117.46 113.71 2crw n PHE 97 Ca -0.28 0.88 -0.06 0.00 -0.00 0.00 0.00 57.45 58.00 2crw n PHE 97 Cb 0.60 -0.86 0.01 0.00 -0.00 0.00 0.00 39.48 39.23 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 -0.34 -0.14 -5.13 -1.00 -1.40 -1.94 116.94 106.98 2crw h PHE 98 Ca 0.31 0.04 -0.02 0.00 2.81 0.00 0.00 57.97 61.10 2crw h PHE 98 Cb 0.49 0.21 -0.01 0.00 3.61 0.00 0.00 35.95 40.25 2crw h PHE 98 CO -0.59 -0.22 0.01 1.25 -1.61 0.00 0.00 178.31 177.15 2crw h HIS 99 N -0.07 0.27 -0.84 -0.55 2.76 0.95 -2.45 115.15 115.21 2crw h HIS 99 Ca 0.18 -0.04 0.19 0.00 -2.20 0.00 0.00 60.37 58.50 2crw h HIS 99 Cb 0.35 -0.07 -0.15 0.00 1.55 0.00 0.00 27.41 29.09 2crw h HIS 99 CO -0.37 0.45 -0.08 1.96 -1.30 0.00 0.00 177.93 178.59 2crw h GLN 100 N 0.00 0.04 -0.33 5.26 1.08 0.00 0.17 115.11 121.34 2crw h GLN 100 Ca 0.04 -0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.19 2crw h GLN 100 Cb 0.34 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 2crw h GLN 100 CO 0.01 0.03 0.01 1.25 -0.95 0.00 0.00 178.83 179.17 2crw h HIS 101 N 0.04 0.62 0.00 2.96 2.76 -1.30 -3.48 115.15 116.75 2crw h HIS 101 Ca 0.45 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.52 2crw h HIS 101 Cb 0.79 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.58 2crw h HIS 101 CO -0.54 0.68 0.00 0.41 -1.30 0.00 0.00 177.93 177.18 2crw n GLY 102 N -0.37 0.99 2.74 5.26 0.00 0.61 -5.10 105.19 109.32 2crw n GLY 102 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2crw n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crw s SER 104 N 1.02 6.49 -0.00 0.00 0.01 -1.26 -4.43 113.70 115.53 2crw s SER 104 Ca 0.13 -2.80 0.02 0.00 1.31 0.00 0.00 55.95 54.61 2crw s SER 104 Cb -0.21 -2.14 -0.00 0.00 0.21 0.00 0.00 66.02 63.88 2crw s SER 104 CO -0.12 -0.51 -0.06 -0.89 0.41 0.00 0.00 173.24 172.07 2crw s THR 105 N -0.01 0.44 -0.24 1.44 2.01 -1.26 -5.06 115.64 112.97 2crw s THR 105 Ca 0.19 -0.25 -0.18 0.00 0.31 0.00 0.00 61.69 61.76 2crw s THR 105 Cb -0.12 -0.38 -0.16 0.00 0.01 0.00 0.00 72.50 71.85 2crw s THR 105 CO -0.08 0.12 -0.02 0.59 -0.69 0.00 0.00 174.62 174.54 2crw n ASN 106 N 2.92 1.90 -3.20 3.53 3.02 -1.26 -4.64 115.26 117.53 2crw n ASN 106 Ca -0.13 0.38 -0.40 0.00 -0.03 0.00 0.00 54.58 54.40 2crw n ASN 106 Cb 0.58 -0.90 -0.05 0.00 -0.61 0.00 0.00 39.78 38.80 2crw n ASN 106 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2crw n ASP 107 N -4.34 -0.27 0.08 6.41 8.00 -1.26 -4.64 116.55 120.53 2crw n ASP 107 Ca -0.41 0.83 -0.07 0.00 0.71 0.00 0.00 54.79 55.84 2crw n ASP 107 Cb 0.77 -0.67 -0.05 0.00 -0.02 0.00 0.00 41.12 41.16 2crw n ASP 107 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2crw h THR 108 N 1.72 1.60 -0.00 -3.53 2.02 -1.97 0.58 112.91 113.32 2crw h THR 108 Ca -0.32 -2.98 0.00 0.00 0.77 0.00 0.00 66.41 63.88 2crw h THR 108 Cb 1.03 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 70.09 2crw h THR 108 CO 0.45 0.86 -0.09 -3.20 0.37 0.00 0.00 175.52 173.91 2crw n ASN 109 N -3.52 0.12 -0.01 4.18 2.85 -1.26 -3.43 115.26 114.18 2crw n ASN 109 Ca -0.02 0.21 -0.05 0.00 -0.11 0.00 0.00 54.58 54.61 2crw n ASN 109 Cb 0.86 -0.32 -0.02 0.00 1.24 0.00 0.00 39.78 41.55 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 -1.43 2.50 -0.33 5.20 0.00 -1.18 -4.05 120.51 121.22 2crw n ALA 110 Ca 0.08 -0.25 0.16 0.00 0.00 0.00 0.00 53.44 53.43 2crw n ALA 110 Cb 0.32 0.31 0.36 0.00 0.00 0.00 0.00 19.45 20.44 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 -0.26 0.45 0.00 0.00 3.64 -0.01 0.32 116.57 120.70 2crw h LYS 111 Ca -0.10 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.06 2crw h LYS 111 Cb 0.74 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 2crw h LYS 111 CO -0.06 0.29 -1.05 1.88 -2.27 0.00 0.00 179.45 178.24 2crw h TYR 112 N 0.46 0.00 -0.22 1.91 0.05 -1.72 -3.26 116.97 114.20 2crw h TYR 112 Ca 0.62 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.38 2crw h TYR 112 Cb 1.21 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.94 2crw h TYR 112 CO -0.07 0.81 0.01 0.09 -1.05 0.00 0.00 178.16 177.95 2crw n ASN 113 N -3.20 2.75 -4.99 3.88 3.02 0.96 -4.51 115.26 113.17 2crw n ASN 113 Ca -0.04 -2.35 -0.18 0.00 -0.03 0.00 0.00 54.58 51.98 2crw n ASN 113 Cb 0.89 -0.57 0.01 0.00 -0.61 0.00 0.00 39.78 39.50 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 -0.25 5.49 0.01 6.41 1.04 -0.28 -4.94 113.70 121.18 2crw s SER 114 Ca 0.20 -0.53 -0.25 0.00 0.48 0.00 0.00 55.95 55.85 2crw s SER 114 Cb 0.15 -0.51 -0.19 0.00 0.10 0.00 0.00 66.02 65.57 2crw s SER 114 CO 0.06 -0.82 1.39 -0.09 0.98 0.00 0.00 173.24 174.76 2crw h ARG 115 N 0.64 0.01 -0.88 4.02 9.65 -1.89 -2.90 114.38 123.02 2crw h ARG 115 Ca -0.39 -0.00 0.19 0.00 -1.10 0.00 0.00 59.98 58.68 2crw h ARG 115 Cb 1.28 -0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 29.75 2crw h ARG 115 CO 0.46 0.36 0.42 0.00 2.80 0.00 0.00 179.97 184.01 2crw h ALA 116 N 0.64 1.37 -0.03 2.80 0.00 -1.93 -0.95 119.26 121.17 2crw h ALA 116 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2crw h ALA 116 Cb 0.36 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2crw h ALA 116 CO 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 179.25 179.04 2crw h ALA 117 N 1.64 0.03 0.34 0.00 0.00 -1.75 -3.09 119.26 116.43 2crw h ALA 117 Ca 0.52 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.41 2crw h ALA 117 Cb 0.88 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2crw h ALA 117 CO -0.45 -0.46 -0.50 1.96 0.00 0.00 0.00 179.25 179.80 2crw h GLN 118 N 0.01 -0.85 -0.84 0.00 4.20 -0.99 -2.12 115.11 114.51 2crw h GLN 118 Ca 0.01 0.06 0.25 0.00 0.06 0.00 0.00 58.65 59.03 2crw h GLN 118 Cb 0.02 0.19 -0.16 0.00 0.30 0.00 0.00 27.48 27.84 2crw h GLN 118 CO -0.00 -0.57 0.08 1.28 -0.67 0.00 0.00 178.83 178.95 2crw n LEU 119 N -5.42 -0.04 0.15 1.46 4.77 -0.79 -0.73 117.00 116.40 2crw n LEU 119 Ca -0.10 1.42 -0.07 0.00 -0.03 0.00 0.00 56.01 57.23 2crw n LEU 119 Cb 0.43 -0.54 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 2crw n LEU 119 CO 0.21 -1.46 0.51 0.22 -1.33 0.00 0.00 177.39 175.54 2crw h TYR 120 N 0.00 -0.52 -0.40 -1.77 5.03 -1.31 -2.00 116.97 116.01 2crw h TYR 120 Ca 0.54 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.88 2crw h TYR 120 Cb 1.17 0.19 -0.05 0.00 1.55 0.00 0.00 36.73 39.59 2crw h TYR 120 CO -0.37 -0.28 -0.23 0.54 -1.32 0.00 0.00 178.16 176.50 2crw n ARG 121 N -3.46 -0.17 -0.13 1.82 1.74 0.09 -0.22 116.66 116.33 2crw n ARG 121 Ca -0.05 0.94 -0.10 0.00 -0.77 0.00 0.00 57.85 57.86 2crw n ARG 121 Cb 0.19 -1.39 -0.05 0.00 -1.02 0.00 0.00 32.46 30.19 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 -0.32 -0.90 5.56 4.39 -1.49 -1.69 114.58 120.14 2crw h GLU 122 Ca 0.06 0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.90 2crw h GLU 122 Cb 0.16 0.07 -0.13 0.00 -0.10 0.00 0.00 28.75 28.75 2crw h GLU 122 CO -0.37 -0.21 -0.48 -0.22 -1.16 0.00 0.00 179.01 176.56 2crw h LYS 123 N -0.33 -0.06 -1.05 2.33 3.64 0.19 0.86 116.57 122.16 2crw h LYS 123 Ca 0.13 0.00 0.27 0.00 -1.27 0.00 0.00 60.65 59.79 2crw h LYS 123 Cb 0.59 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.32 2crw h LYS 123 CO -0.57 -0.04 0.67 0.82 -2.27 0.00 0.00 179.45 178.06 2crw h ILE 124 N -0.06 0.50 0.18 2.00 1.08 -0.36 -0.22 117.51 120.63 2crw h ILE 124 Ca 0.24 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.57 2crw h ILE 124 Cb 0.52 0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.34 2crw h ILE 124 CO -0.90 0.07 -0.15 0.50 -0.69 0.00 0.00 178.15 176.98 2crw h LYS 125 N 0.38 -0.33 0.39 2.37 3.64 0.11 0.17 116.57 123.30 2crw h LYS 125 Ca 0.61 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 60.00 2crw h LYS 125 Cb 1.55 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.45 2crw h LYS 125 CO -0.31 -0.22 -0.24 0.77 -2.27 0.00 0.00 179.45 177.18 2crw h SER 126 N -0.34 -0.59 -0.45 4.20 0.02 -0.76 -3.15 113.55 112.47 2crw h SER 126 Ca -0.00 0.03 0.09 0.00 -0.84 0.00 0.00 61.79 61.07 2crw h SER 126 Cb 0.32 0.17 -0.10 0.00 0.14 0.00 0.00 62.40 62.93 2crw h SER 126 CO -0.02 -0.37 -0.31 -0.07 -1.14 0.00 0.00 176.83 174.92 2crw h LEU 127 N -0.59 -1.05 -1.26 5.07 3.38 -1.46 0.10 115.31 119.51 2crw h LEU 127 Ca -0.05 0.20 0.40 0.00 0.09 0.00 0.00 57.88 58.51 2crw h LEU 127 Cb 0.47 0.51 -0.09 0.00 0.09 0.00 0.00 40.66 41.64 2crw h LEU 127 CO 0.06 -0.31 0.86 0.00 0.09 0.00 0.00 178.44 179.14 2crw n ALA 128 N -3.03 1.23 -0.04 1.53 0.00 0.58 0.25 120.51 121.03 2crw n ALA 128 Ca 0.02 0.60 -0.15 0.00 0.00 0.00 0.00 53.44 53.92 2crw n ALA 128 Cb 0.34 -0.85 -0.08 0.00 0.00 0.00 0.00 19.45 18.86 2crw n ALA 128 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2crw h SER 129 N 0.00 0.46 -0.86 0.00 4.64 -0.78 -1.63 113.55 115.39 2crw h SER 129 Ca 0.70 -0.61 0.25 0.00 -0.47 0.00 0.00 61.79 61.66 2crw h SER 129 Cb 2.50 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 64.42 2crw h SER 129 CO -0.21 0.99 0.88 0.06 -0.87 0.00 0.00 176.83 177.68 2crw h GLN 130 N -0.04 0.00 0.00 4.77 3.07 0.33 1.38 115.11 124.62 2crw h GLN 130 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.70 2crw h GLN 130 Cb 0.95 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.50 2crw h GLN 130 CO 0.07 0.00 -1.84 0.00 0.09 0.00 0.00 178.83 177.15 2crw n ALA 131 N -2.38 2.54 -0.07 0.06 0.00 -1.17 -4.04 120.51 115.45 2crw n ALA 131 Ca 0.18 -0.49 -0.06 0.00 0.00 0.00 0.00 53.44 53.07 2crw n ALA 131 Cb 1.16 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 20.04 2crw n ALA 131 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2crw n THR 132 N -2.17 1.30 -0.03 0.00 -1.04 0.29 -4.47 114.28 108.16 2crw n THR 132 Ca -0.06 0.21 0.07 0.00 -2.04 0.00 0.00 64.05 62.24 2crw n THR 132 Cb 0.52 -2.27 0.46 0.00 -1.82 0.00 0.00 70.33 67.22 2crw n THR 132 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2crw h ARG 133 N -0.89 0.47 -0.29 -2.82 1.12 0.11 -0.58 114.38 111.51 2crw h ARG 133 Ca 0.00 -0.03 0.03 0.00 -1.11 0.00 0.00 59.98 58.87 2crw h ARG 133 Cb 0.69 -0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 30.50 2crw h ARG 133 CO 0.00 0.31 -0.17 1.17 -3.11 0.00 0.00 179.97 178.17 2crw n LYS 134 N -4.48 -0.13 0.00 0.20 4.81 -1.13 -4.12 118.16 113.31 2crw n LYS 134 Ca 0.06 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 2crw n LYS 134 Cb 0.19 -1.07 0.00 0.00 0.02 0.00 0.00 35.03 34.17 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 -3.66 0.00 0.00 5.64 8.25 -1.19 -5.11 115.22 119.14 2crw n HIS 135 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2crw n HIS 135 Cb 0.08 0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.24 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 2.87 -1.98 3.80 -1.41 0.00 -0.23 -4.80 105.19 103.44 2crw n GLY 136 Ca 0.00 -1.31 -0.28 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.67 -0.31 -3.15 2.61 -2.24 -1.26 -4.82 114.28 104.44 2crw n THR 137 Ca 0.00 -0.15 0.05 0.00 -2.27 0.00 0.00 64.05 61.68 2crw n THR 137 Cb 0.00 -0.53 -0.01 0.00 -2.10 0.00 0.00 70.33 67.69 2crw n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2crw s ASP 138 N -3.23 -0.68 -0.80 3.42 2.15 -1.26 -5.07 116.67 111.19 2crw s ASP 138 Ca 0.37 0.34 -0.26 0.00 0.43 0.00 0.00 52.55 53.43 2crw s ASP 138 Cb -0.21 1.54 -0.18 0.00 -0.30 0.00 0.00 42.92 43.77 2crw s ASP 138 CO 0.76 -0.13 2.50 0.18 -0.17 0.00 0.00 175.17 178.31 2crw n LEU 139 N 5.41 0.90 -0.19 -1.34 4.32 -1.26 -4.74 117.00 120.09 2crw n LEU 139 Ca -0.03 -0.35 0.04 0.00 -0.02 0.00 0.00 56.01 55.65 2crw n LEU 139 Cb 0.54 -1.18 0.08 0.00 -1.62 0.00 0.00 43.42 41.24 2crw n LEU 139 CO -0.09 -1.34 0.36 -2.67 -1.22 0.00 0.00 177.39 172.43 2crw n TRP 140 N 12.62 0.20 -2.90 -1.77 2.14 -1.26 -4.13 117.44 122.35 2crw n TRP 140 Ca 0.54 0.65 -0.36 0.00 2.07 0.00 0.00 57.50 60.40 2crw n TRP 140 Cb 0.27 -0.82 -0.06 0.00 -0.81 0.00 0.00 31.31 29.89 2crw n TRP 140 CO 0.00 0.00 0.00 -0.48 2.07 0.00 0.00 177.69 179.28 2crw s LEU 141 N -9.69 4.29 -0.28 5.67 2.34 -1.26 -5.07 118.68 114.68 2crw s LEU 141 Ca -0.08 1.67 -0.15 0.00 0.06 0.00 0.00 54.13 55.63 2crw s LEU 141 Cb 0.14 -3.94 0.08 0.00 -0.56 0.00 0.00 46.19 41.91 2crw s LEU 141 CO 0.41 -0.07 0.68 -0.62 -1.06 0.00 0.00 176.35 175.69 2crw s ASP 142 N -1.72 -0.95 -0.11 1.48 2.15 -1.26 -5.06 116.67 111.20 2crw s ASP 142 Ca 0.49 1.51 -0.02 0.00 0.43 0.00 0.00 52.55 54.97 2crw s ASP 142 Cb -0.17 1.44 -0.06 0.00 -0.30 0.00 0.00 42.92 43.83 2crw s ASP 142 CO 0.21 -0.24 -0.12 -1.54 -0.17 0.00 0.00 175.17 173.32 2crw n SER 143 N 4.40 2.31 -0.05 -0.34 3.41 -1.26 -4.90 113.62 117.18 2crw n SER 143 Ca -0.20 0.01 -0.11 0.00 -0.26 0.00 0.00 58.87 58.32 2crw n SER 143 Cb 0.58 -0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 64.26 2crw n SER 143 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2crw n SER 144 N -3.08 0.99 0.00 4.04 2.88 -1.26 -5.15 113.62 112.04 2crw n SER 144 Ca -0.21 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 2crw n SER 144 Cb 0.69 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 2crw n SER 144 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2crw n GLY 145 N 2.35 3.70 3.70 0.46 0.00 -1.26 -5.06 105.19 109.07 2crw n GLY 145 Ca -0.19 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 2crw n GLY 145 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crw s PRO 146 N -5.13 4.30 0.31 1.61 0.04 -1.26 -5.01 135.00 129.87 2crw s PRO 146 Ca 0.00 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 62.89 2crw s PRO 146 Cb 0.00 -3.41 -0.09 0.00 0.04 0.00 0.00 34.50 31.04 2crw s PRO 146 CO 0.00 -0.50 0.79 0.45 0.04 0.00 0.00 177.00 177.78 2crw s SER 147 N 1.51 6.95 -0.20 6.66 0.15 -1.26 -5.06 113.70 122.45 2crw s SER 147 Ca 0.65 1.45 -0.09 0.00 0.70 0.00 0.00 55.95 58.66 2crw s SER 147 Cb -0.34 -2.44 -0.05 0.00 -1.71 0.00 0.00 66.02 61.48 2crw s SER 147 CO 0.29 -0.15 0.10 -0.55 1.20 0.00 0.00 173.24 174.13 2crw s SER 148 N -2.01 5.92 0.00 5.45 0.15 -1.26 -5.28 113.70 116.68 2crw s SER 148 Ca 0.52 0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.31 2crw s SER 148 Cb -0.13 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 2crw s SER 148 CO 0.18 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.40