#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crw s SER 2 N 0.00 5.29 0.16 1.61 0.15 -1.26 -4.99 113.70 114.65 2crw s SER 2 Ca 0.00 -0.40 -0.20 0.00 0.70 0.00 0.00 55.95 56.05 2crw s SER 2 Cb 0.00 -1.95 0.06 0.00 -1.71 0.00 0.00 66.02 62.43 2crw s SER 2 CO 0.00 -0.12 1.64 -1.28 1.20 0.00 0.00 173.24 174.69 2crw h SER 3 N 8.28 -0.61 -0.04 5.45 0.87 -2.15 -3.48 113.55 121.87 2crw h SER 3 Ca -0.35 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 2crw h SER 3 Cb 1.16 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 63.44 2crw h SER 3 CO 0.59 -0.22 0.00 0.61 -0.53 0.00 0.00 176.83 177.29 2crw n GLY 4 N -1.35 1.57 3.90 5.77 0.00 -1.26 -5.09 105.19 108.73 2crw n GLY 4 Ca 0.01 -1.33 -0.28 0.00 0.00 0.00 0.00 46.02 44.41 2crw n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2crw s SER 5 N -0.01 4.75 -0.42 1.61 0.15 -1.26 -5.06 113.70 113.46 2crw s SER 5 Ca 0.00 0.77 0.02 0.00 0.70 0.00 0.00 55.95 57.44 2crw s SER 5 Cb 0.00 -1.36 0.14 0.00 -1.71 0.00 0.00 66.02 63.09 2crw s SER 5 CO 0.00 -1.73 0.23 -0.44 1.20 0.00 0.00 173.24 172.50 2crw s SER 6 N -4.52 3.49 -0.35 5.45 0.01 -1.26 -4.97 113.70 111.56 2crw s SER 6 Ca 0.61 -2.51 0.12 0.00 1.31 0.00 0.00 55.95 55.47 2crw s SER 6 Cb -0.11 -0.89 0.45 0.00 0.21 0.00 0.00 66.02 65.69 2crw s SER 6 CO 0.48 -0.28 1.07 0.61 0.41 0.00 0.00 173.24 175.54 2crw n GLY 7 N 3.67 4.03 3.37 3.44 0.00 -1.26 -5.06 105.19 113.38 2crw n GLY 7 Ca 0.09 -2.03 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 2crw n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2crw s MET 8 N -3.46 1.07 0.06 1.61 0.00 -1.26 -5.15 119.30 112.17 2crw s MET 8 Ca 0.39 -0.38 -0.14 0.00 0.00 0.00 0.00 55.69 55.55 2crw s MET 8 Cb 0.41 0.48 -0.06 0.00 0.00 0.00 0.00 34.83 35.66 2crw s MET 8 CO -0.06 -0.41 0.46 0.20 0.00 0.00 0.00 175.02 175.22 2crw s GLY 9 N -2.27 2.47 0.70 3.16 0.00 -1.26 -5.07 107.32 105.06 2crw s GLY 9 Ca -0.03 -0.20 -0.15 0.00 0.00 0.00 0.00 44.72 44.35 2crw s GLY 9 CO -0.06 0.12 1.15 0.51 0.00 0.00 0.00 173.10 174.82 2crw s ASP 10 N -1.38 4.63 0.17 1.64 -4.77 -1.26 -4.96 116.67 110.74 2crw s ASP 10 Ca 0.30 2.14 -0.30 0.00 -3.30 0.00 0.00 52.55 51.38 2crw s ASP 10 Cb -0.16 -2.57 -0.08 0.00 -1.09 0.00 0.00 42.92 39.02 2crw s ASP 10 CO 0.16 -1.96 1.32 -2.16 0.70 0.00 0.00 175.17 173.24 2crw s PRO 11 N -4.07 4.37 0.91 2.11 0.04 -1.26 -5.03 135.00 132.07 2crw s PRO 11 Ca 0.70 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 63.64 2crw s PRO 11 Cb -0.24 -3.22 0.15 0.00 0.04 0.00 0.00 34.50 31.23 2crw s PRO 11 CO 0.44 -0.30 1.21 -1.12 0.04 0.00 0.00 177.00 177.27 2crw s SER 12 N 0.57 3.56 0.08 6.66 0.01 -1.26 -4.71 113.70 118.61 2crw s SER 12 Ca 0.59 0.64 -0.28 0.00 1.31 0.00 0.00 55.95 58.21 2crw s SER 12 Cb -0.36 -0.99 -0.12 0.00 0.21 0.00 0.00 66.02 64.76 2crw s SER 12 CO 0.36 -2.48 1.45 0.50 0.41 0.00 0.00 173.24 173.47 2crw h LYS 13 N -1.46 -0.59 -0.43 12.44 3.64 -1.96 -1.59 116.57 126.62 2crw h LYS 13 Ca -0.46 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 58.99 2crw h LYS 13 Cb 1.30 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 33.20 2crw h LYS 13 CO 0.54 -0.39 -0.26 1.96 -2.27 0.00 0.00 179.45 179.03 2crw h GLN 14 N -0.61 -0.01 -0.78 1.90 4.20 -1.98 0.26 115.11 118.09 2crw h GLN 14 Ca -0.00 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.86 2crw h GLN 14 Cb 0.61 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.25 2crw h GLN 14 CO -0.24 -0.00 -0.23 -0.44 -0.67 0.00 0.00 178.83 177.24 2crw h ASP 15 N -0.01 -0.85 -0.97 1.46 5.19 -1.90 0.49 116.42 119.83 2crw h ASP 15 Ca 0.07 0.24 0.06 0.00 -0.62 0.00 0.00 57.03 56.78 2crw h ASP 15 Cb 0.18 0.52 -0.06 0.00 0.18 0.00 0.00 39.33 40.16 2crw h ASP 15 CO -0.41 -0.27 0.63 0.40 -3.12 0.00 0.00 179.24 176.47 2crw h ILE 16 N -0.03 1.10 0.00 0.35 2.04 0.19 -0.76 117.51 120.40 2crw h ILE 16 Ca 0.36 -0.40 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 2crw h ILE 16 Cb 0.58 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 2crw h ILE 16 CO -0.81 0.21 -0.37 -0.07 0.00 0.00 0.00 178.15 177.11 2crw h LEU 17 N 1.16 0.00 -0.67 1.44 3.38 0.31 -2.48 115.31 118.44 2crw h LEU 17 Ca 0.41 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.24 2crw h LEU 17 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2crw h LEU 17 CO -0.15 0.37 -0.48 0.74 0.09 0.00 0.00 178.44 179.01 2crw h THR 18 N 0.00 1.32 0.00 0.22 2.02 0.52 0.18 112.91 117.17 2crw h THR 18 Ca -0.00 -1.69 -0.09 0.00 0.77 0.00 0.00 66.41 65.40 2crw h THR 18 Cb 0.67 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 2crw h THR 18 CO 0.05 0.52 -0.40 0.40 0.37 0.00 0.00 175.52 176.45 2crw h ILE 19 N 0.37 0.79 0.00 3.11 2.04 -1.13 -3.16 117.51 119.52 2crw h ILE 19 Ca 0.02 -1.80 -0.28 0.00 1.00 0.00 0.00 64.86 63.80 2crw h ILE 19 Cb 0.98 2.16 -0.05 0.00 -0.74 0.00 0.00 36.82 39.16 2crw h ILE 19 CO 0.09 0.40 -1.68 0.49 0.00 0.00 0.00 178.15 177.44 2crw n PHE 20 N -3.34 1.00 0.22 1.37 3.72 -0.96 -3.56 117.46 115.91 2crw n PHE 20 Ca 0.01 0.36 0.06 0.00 -0.05 0.00 0.00 57.45 57.83 2crw n PHE 20 Cb 0.61 -1.18 0.51 0.00 -0.94 0.00 0.00 39.48 38.48 2crw n PHE 20 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2crw h LYS 21 N 0.00 0.00 0.20 -1.08 2.10 -0.65 0.28 116.57 117.42 2crw h LYS 21 Ca -0.27 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.09 2crw h LYS 21 Cb 1.97 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 33.33 2crw h LYS 21 CO 0.08 0.24 -1.28 -0.09 -2.00 0.00 0.00 179.45 176.39 2crw h ARG 22 N 0.00 0.43 -0.12 0.07 9.65 -1.68 -3.06 114.38 119.68 2crw h ARG 22 Ca -0.00 -0.74 -0.12 0.00 -1.10 0.00 0.00 59.98 58.02 2crw h ARG 22 Cb 0.47 0.28 0.00 0.00 -1.39 0.00 0.00 29.97 29.32 2crw h ARG 22 CO 0.03 1.35 -0.38 -0.07 2.80 0.00 0.00 179.97 183.70 2crw h LEU 23 N -0.06 0.54 -0.61 3.80 4.07 -1.56 -3.26 115.31 118.24 2crw h LEU 23 Ca -0.23 -0.61 0.05 0.00 0.08 0.00 0.00 57.88 57.17 2crw h LEU 23 Cb 1.97 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 43.50 2crw h LEU 23 CO 0.21 1.05 0.33 0.03 -1.08 0.00 0.00 178.44 178.99 2crw h ARG 24 N 0.06 0.61 -0.94 1.13 3.08 -0.59 -2.49 114.38 115.24 2crw h ARG 24 Ca -0.01 -0.04 0.25 0.00 0.07 0.00 0.00 59.98 60.24 2crw h ARG 24 Cb 1.01 -0.14 -0.18 0.00 0.08 0.00 0.00 29.97 30.74 2crw h ARG 24 CO 0.08 0.40 -0.02 0.45 -1.07 0.00 0.00 179.97 179.81 2crw n SER 25 N -4.81 -0.15 -4.69 7.04 2.88 -1.16 -3.68 113.62 109.05 2crw n SER 25 Ca 0.07 1.59 -0.44 0.00 -1.33 0.00 0.00 58.87 58.76 2crw n SER 25 Cb 0.15 -0.56 -0.02 0.00 -0.75 0.00 0.00 64.21 63.03 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 -5.41 1.36 0.18 2.46 0.31 -0.94 -4.88 118.33 111.43 2crw n VAL 26 Ca 0.21 -0.34 0.04 0.00 -0.01 0.00 0.00 64.34 64.23 2crw n VAL 26 Cb 0.68 -1.57 0.35 0.00 -0.91 0.00 0.00 33.84 32.39 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 3.63 0.00 -0.00 5.55 0.13 -1.88 -1.04 132.00 138.39 2crw h PRO 27 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2crw h PRO 27 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2crw h PRO 27 CO 0.71 0.40 -0.26 0.25 -0.23 0.00 0.00 178.00 178.87 2crw n THR 28 N -3.80 0.00 -0.09 1.56 -2.24 -1.26 -3.78 114.28 104.67 2crw n THR 28 Ca -0.01 -0.01 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 2crw n THR 28 Cb 0.47 -0.07 -0.14 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.41 0.72 -0.18 3.42 3.02 -1.00 -4.30 115.26 115.53 2crw n ASN 29 Ca 0.07 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 2crw n ASN 29 Cb 0.33 0.92 0.00 0.00 -0.61 0.00 0.00 39.78 40.42 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 -2.65 0.97 -3.72 3.52 2.85 -0.43 -4.62 118.16 114.08 2crw n LYS 30 Ca -0.28 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 56.75 2crw n LYS 30 Cb 1.07 -1.18 -0.18 0.00 -0.65 0.00 0.00 35.03 34.09 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 -1.63 0.18 -0.52 0.58 -7.23 -1.26 -0.69 120.40 109.84 2crw s VAL 31 Ca 0.00 0.13 -0.30 0.00 -1.81 0.00 0.00 61.98 60.00 2crw s VAL 31 Cb 0.00 -0.46 -0.15 0.00 0.56 0.00 0.00 36.38 36.33 2crw s VAL 31 CO 0.00 0.14 1.78 0.00 -0.31 0.00 0.00 175.10 176.71 2crw h PHE 33 N 7.67 0.00 0.00 0.00 3.04 -1.34 1.32 116.94 127.63 2crw h PHE 33 Ca -0.06 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.89 2crw h PHE 33 Cb 1.05 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.56 2crw h PHE 33 CO 0.78 0.00 0.00 -3.47 -2.02 0.00 0.00 178.31 173.60 2crw n ASP 34 N -2.96 0.00 -0.11 0.41 -0.08 -1.26 -4.71 116.55 107.85 2crw n ASP 34 Ca 0.03 0.57 -0.22 0.00 -1.51 0.00 0.00 54.79 53.66 2crw n ASP 34 Cb 0.71 -0.46 -0.12 0.00 2.34 0.00 0.00 41.12 43.59 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 1.89 1.08 3.66 0.00 0.00 0.45 -4.94 105.19 107.34 2crw n GLY 36 Ca -0.45 0.00 -0.52 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 0.15 -1.77 4.61 0.00 -1.26 -3.92 120.51 118.32 2crw n ALA 37 Ca 0.00 0.41 -0.36 0.00 0.00 0.00 0.00 53.44 53.48 2crw n ALA 37 Cb 0.00 -2.27 0.01 0.00 0.00 0.00 0.00 19.45 17.18 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 2.35 3.45 -1.22 0.00 1.02 -1.26 -0.44 119.74 123.64 2crw s LYS 38 Ca 0.90 1.79 -0.01 0.00 0.02 0.00 0.00 55.97 58.67 2crw s LYS 38 Cb -0.87 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.23 2crw s LYS 38 CO 0.52 -0.81 1.01 0.09 -0.92 0.00 0.00 175.35 175.24 2crw n ASN 39 N -0.94 -2.53 -4.58 2.83 4.13 0.13 -4.85 115.26 109.45 2crw n ASN 39 Ca 0.10 -0.62 -0.28 0.00 1.68 0.00 0.00 54.58 55.46 2crw n ASN 39 Cb 0.49 -5.08 -0.06 0.00 -1.54 0.00 0.00 39.78 33.59 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 -5.50 2.49 0.10 3.52 0.04 -1.23 -4.82 135.00 129.60 2crw s PRO 40 Ca 0.07 -1.13 -0.23 0.00 0.04 0.00 0.00 61.00 59.74 2crw s PRO 40 Cb -0.03 -5.24 -0.07 0.00 0.04 0.00 0.00 34.50 29.20 2crw s PRO 40 CO 0.73 -3.98 1.40 0.77 0.04 0.00 0.00 177.00 175.96 2crw h SER 41 N 9.79 -1.41 -2.32 6.66 0.02 -1.89 -3.38 113.55 121.01 2crw h SER 41 Ca 0.21 0.19 -0.61 0.00 -0.84 0.00 0.00 61.79 60.74 2crw h SER 41 Cb 0.94 0.59 0.11 0.00 0.14 0.00 0.00 62.40 64.18 2crw h SER 41 CO 1.22 -0.26 0.10 0.79 -1.14 0.00 0.00 176.83 177.54 2crw n TRP 42 N -4.63 1.16 -3.81 3.45 7.02 -1.14 -3.94 117.44 115.54 2crw n TRP 42 Ca -0.01 0.72 -0.13 0.00 -1.02 0.00 0.00 57.50 57.06 2crw n TRP 42 Cb 0.23 -2.23 -0.13 0.00 -2.42 0.00 0.00 31.31 26.76 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 -0.96 -0.29 -0.43 6.99 0.00 -1.07 -0.46 121.76 125.54 2crw s ALA 43 Ca 0.60 0.42 -0.12 0.00 0.00 0.00 0.00 51.96 52.86 2crw s ALA 43 Cb -0.73 -0.26 0.06 0.00 0.00 0.00 0.00 23.12 22.20 2crw s ALA 43 CO 0.59 -0.08 0.30 0.45 0.00 0.00 0.00 175.76 177.02 2crw s SER 44 N 0.32 5.87 0.18 0.00 0.15 0.67 -1.06 113.70 119.83 2crw s SER 44 Ca -0.02 -1.32 -0.13 0.00 0.70 0.00 0.00 55.95 55.18 2crw s SER 44 Cb -0.03 -2.08 0.09 0.00 -1.71 0.00 0.00 66.02 62.29 2crw s SER 44 CO -0.01 -0.55 1.84 0.40 1.20 0.00 0.00 173.24 176.12 2crw h ILE 45 N 5.90 1.16 -0.85 6.45 2.04 -1.79 0.58 117.51 130.99 2crw h ILE 45 Ca -0.26 -0.30 0.09 0.00 1.00 0.00 0.00 64.86 65.39 2crw h ILE 45 Cb 1.10 0.30 -0.12 0.00 -0.74 0.00 0.00 36.82 37.36 2crw h ILE 45 CO 0.79 0.16 -0.53 0.74 0.00 0.00 0.00 178.15 179.30 2crw h THR 46 N 0.80 0.01 -0.69 -0.27 2.02 -1.93 0.17 112.91 113.03 2crw h THR 46 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.40 2crw h THR 46 Cb -0.08 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.35 2crw h THR 46 CO -0.05 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.62 2crw n TYR 47 N -5.33 1.26 -4.29 3.16 4.02 -1.15 -4.37 117.16 110.45 2crw n TYR 47 Ca 0.03 -0.56 -0.31 0.00 -0.01 0.00 0.00 57.90 57.04 2crw n TYR 47 Cb 0.31 -0.14 -0.09 0.00 -0.02 0.00 0.00 39.34 39.40 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 1.35 -0.15 3.46 2.72 0.00 0.19 -4.70 105.19 108.06 2crw n GLY 48 Ca 0.25 0.17 -0.22 0.00 0.00 0.00 0.00 46.02 46.22 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 -4.26 1.74 -0.16 1.61 -7.23 -0.46 -2.27 120.40 109.37 2crw s VAL 49 Ca 0.06 -2.13 -0.08 0.00 -1.81 0.00 0.00 61.98 58.03 2crw s VAL 49 Cb -0.04 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 2crw s VAL 49 CO 0.99 -0.25 0.09 -0.36 -0.31 0.00 0.00 175.10 175.26 2crw s PHE 50 N -2.94 3.36 0.33 2.82 0.08 -1.26 -0.24 117.98 120.13 2crw s PHE 50 Ca 0.31 0.25 0.03 0.00 0.12 0.00 0.00 56.93 57.65 2crw s PHE 50 Cb 0.04 -2.04 -0.06 0.00 -0.57 0.00 0.00 43.02 40.39 2crw s PHE 50 CO 0.13 0.35 0.07 -0.51 -0.10 0.00 0.00 175.22 175.16 2crw s LEU 51 N -0.05 2.11 0.09 -0.37 1.43 0.39 -0.97 118.68 121.31 2crw s LEU 51 Ca 0.08 -1.41 0.09 0.00 -1.03 0.00 0.00 54.13 51.86 2crw s LEU 51 Cb -0.12 -0.32 -0.04 0.00 0.03 0.00 0.00 46.19 45.75 2crw s LEU 51 CO 0.01 -0.65 -0.20 0.00 0.23 0.00 0.00 176.35 175.74 2crw n ILE 53 N 1.08 -0.12 0.07 0.00 0.13 -1.26 0.16 119.36 119.42 2crw n ILE 53 Ca -0.16 1.15 -0.03 0.00 -1.10 0.00 0.00 62.75 62.61 2crw n ILE 53 Cb 0.53 -1.89 -0.01 0.00 -0.84 0.00 0.00 39.64 37.42 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 -0.16 0.43 9.51 3.58 -2.01 -3.20 116.42 124.56 2crw h ASP 54 Ca 0.60 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 58.03 2crw h ASP 54 Cb 2.07 0.04 0.00 0.00 1.72 0.00 0.00 39.33 43.16 2crw h ASP 54 CO -0.23 -0.08 -0.21 0.00 -2.88 0.00 0.00 179.24 175.85 2crw n SER 56 N -5.27 0.15 -0.06 0.00 3.41 0.12 0.18 113.62 112.15 2crw n SER 56 Ca -0.11 0.95 -0.08 0.00 -0.26 0.00 0.00 58.87 59.37 2crw n SER 56 Cb 0.28 -0.46 -0.01 0.00 -0.26 0.00 0.00 64.21 63.75 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 0.31 0.23 5.00 0.00 -1.50 -2.36 103.07 104.75 2crw h GLY 57 Ca 0.60 -0.05 0.08 0.00 0.00 0.00 0.00 47.33 47.95 2crw h GLY 57 CO -0.32 0.03 -0.09 1.76 0.00 0.00 0.00 176.54 177.92 2crw h SER 58 N 0.20 -0.35 -0.34 0.19 0.02 0.18 -1.75 113.55 111.69 2crw h SER 58 Ca 0.11 0.12 0.06 0.00 -0.84 0.00 0.00 61.79 61.23 2crw h SER 58 Cb 0.08 0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.80 2crw h SER 58 CO -0.11 -0.12 0.02 0.45 -1.14 0.00 0.00 176.83 175.92 2crw h HIS 59 N 0.01 0.02 -0.99 3.45 3.86 -1.49 -1.28 115.15 118.73 2crw h HIS 59 Ca 0.19 0.02 0.20 0.00 -1.16 0.00 0.00 60.37 59.62 2crw h HIS 59 Cb 0.29 0.04 -0.10 0.00 1.06 0.00 0.00 27.41 28.70 2crw h HIS 59 CO -0.34 -0.04 0.62 0.00 0.86 0.00 0.00 177.93 179.02 2crw h ARG 60 N 0.12 0.64 -0.26 2.45 3.08 -0.81 -0.64 114.38 118.97 2crw h ARG 60 Ca 0.16 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2crw h ARG 60 Cb 0.21 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2crw h ARG 60 CO -0.26 0.42 0.13 1.03 -1.07 0.00 0.00 179.97 180.22 2crw h SER 61 N 0.66 0.33 -0.72 7.04 0.87 -0.74 -2.90 113.55 118.09 2crw h SER 61 Ca 0.56 -0.12 0.16 0.00 -1.23 0.00 0.00 61.79 61.16 2crw h SER 61 Cb 1.01 -0.09 -0.12 0.00 -0.44 0.00 0.00 62.40 62.76 2crw h SER 61 CO -0.33 0.35 0.06 -0.07 -0.53 0.00 0.00 176.83 176.31 2crw h LEU 62 N 0.29 -0.22 0.00 2.23 3.38 -0.82 -3.47 115.31 116.70 2crw h LEU 62 Ca 0.09 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2crw h LEU 62 Cb 0.11 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2crw h LEU 62 CO -0.01 -0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.00 2crw n GLY 63 N -1.39 3.89 0.62 0.83 0.00 -1.10 -4.71 105.19 103.33 2crw n GLY 63 Ca 0.13 -0.86 0.47 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.06 -0.11 1.61 0.24 -1.26 0.21 118.33 118.96 2crw n VAL 64 Ca 0.00 1.49 -0.12 0.00 -2.04 0.00 0.00 64.34 63.67 2crw n VAL 64 Cb 0.00 -2.47 -0.03 0.00 -1.47 0.00 0.00 33.84 29.87 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 0.79 -0.07 6.34 -0.00 -1.97 -2.83 115.15 117.40 2crw h HIS 65 Ca 0.88 -0.20 -0.04 0.00 -0.00 0.00 0.00 60.37 61.01 2crw h HIS 65 Cb 3.35 -0.18 -0.00 0.00 -0.00 0.00 0.00 27.41 30.58 2crw h HIS 65 CO -0.00 0.90 -0.11 1.25 -0.00 0.00 0.00 177.93 179.97 2crw h LEU 66 N 0.45 0.23 -6.31 6.12 6.46 0.22 -3.44 115.31 119.04 2crw h LEU 66 Ca 0.07 -0.53 -0.12 0.00 -0.12 0.00 0.00 57.88 57.18 2crw h LEU 66 Cb 0.70 -0.06 -0.27 0.00 -0.73 0.00 0.00 40.66 40.29 2crw h LEU 66 CO 0.05 0.71 -0.47 -0.44 -0.62 0.00 0.00 178.44 177.67 2crw s SER 67 N -6.01 -0.04 0.12 1.25 0.01 -0.49 -4.96 113.70 103.58 2crw s SER 67 Ca -0.15 0.05 -0.30 0.00 1.31 0.00 0.00 55.95 56.86 2crw s SER 67 Cb 0.03 1.31 -0.06 0.00 0.21 0.00 0.00 66.02 67.51 2crw s SER 67 CO 0.72 -0.32 1.03 0.12 0.41 0.00 0.00 173.24 175.21 2crw s PHE 68 N 2.60 3.70 -0.08 2.43 2.19 -1.07 -4.34 117.98 123.41 2crw s PHE 68 Ca 0.12 1.68 0.02 0.00 0.33 0.00 0.00 56.93 59.09 2crw s PHE 68 Cb -0.14 -3.17 -0.02 0.00 -1.31 0.00 0.00 43.02 38.39 2crw s PHE 68 CO -0.23 -0.21 -0.13 0.42 1.83 0.00 0.00 175.22 176.89 2crw s ILE 69 N 0.09 3.10 -0.13 3.12 -1.09 -1.26 -2.81 121.20 122.22 2crw s ILE 69 Ca 0.49 -0.69 -0.06 0.00 -2.23 0.00 0.00 60.65 58.16 2crw s ILE 69 Cb -0.26 -2.24 0.05 0.00 -1.58 0.00 0.00 42.46 38.44 2crw s ILE 69 CO 0.31 0.57 0.29 -0.13 -1.23 0.00 0.00 174.94 174.76 2crw s ARG 70 N -0.41 0.24 1.12 2.79 1.81 -0.22 -5.00 118.95 119.28 2crw s ARG 70 Ca 0.05 0.64 -0.16 0.00 -1.72 0.00 0.00 55.73 54.54 2crw s ARG 70 Cb -0.12 -0.07 0.25 0.00 -0.45 0.00 0.00 34.95 34.56 2crw s ARG 70 CO 0.02 -0.19 1.10 0.45 -0.68 0.00 0.00 175.30 176.00 2crw s SER 71 N 1.54 1.63 -0.02 0.23 0.15 -1.26 -2.59 113.70 113.38 2crw s SER 71 Ca -0.07 0.90 0.02 0.00 0.70 0.00 0.00 55.95 57.49 2crw s SER 71 Cb -0.10 -1.35 -0.02 0.00 -1.71 0.00 0.00 66.02 62.84 2crw s SER 71 CO -0.10 -3.72 0.00 0.35 1.20 0.00 0.00 173.24 170.98 2crw n THR 72 N -4.52 0.12 0.08 6.45 -2.24 -1.25 -4.16 114.28 108.75 2crw n THR 72 Ca 0.09 -0.08 -0.18 0.00 -2.27 0.00 0.00 64.05 61.61 2crw n THR 72 Cb 0.58 -0.93 -0.14 0.00 -2.10 0.00 0.00 70.33 67.74 2crw n THR 72 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2crw h GLU 73 N 0.00 0.30 0.00 -0.78 4.39 -1.95 -3.42 114.58 113.11 2crw h GLU 73 Ca -0.05 -0.51 0.00 0.00 0.34 0.00 0.00 59.36 59.14 2crw h GLU 73 Cb 1.11 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 2crw h GLU 73 CO 0.00 1.18 -0.23 1.28 -1.16 0.00 0.00 179.01 180.09 2crw n LEU 74 N -3.50 0.54 -4.58 1.33 4.32 -1.26 -4.90 117.00 108.95 2crw n LEU 74 Ca -0.17 0.20 -0.49 0.00 -0.02 0.00 0.00 56.01 55.53 2crw n LEU 74 Cb 1.05 -0.58 -0.05 0.00 -1.62 0.00 0.00 43.42 42.21 2crw n LEU 74 CO 0.52 -0.46 1.66 0.47 -1.22 0.00 0.00 177.39 178.36 2crw n ASP 75 N -3.00 2.85 -0.00 -1.43 9.92 -1.26 -4.78 116.55 118.85 2crw n ASP 75 Ca -0.03 0.64 0.01 0.00 -0.53 0.00 0.00 54.79 54.88 2crw n ASP 75 Cb 0.12 -1.34 -0.02 0.00 -0.64 0.00 0.00 41.12 39.23 2crw n ASP 75 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2crw n SER 76 N 8.61 4.37 -2.11 -2.24 3.41 -1.26 -4.43 113.62 119.96 2crw n SER 76 Ca 0.31 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.82 2crw n SER 76 Cb 0.28 1.03 -0.14 0.00 -0.26 0.00 0.00 64.21 65.12 2crw n SER 76 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2crw n ASN 77 N -1.68 4.33 -4.84 4.04 4.13 -1.26 -4.76 115.26 115.21 2crw n ASN 77 Ca -0.01 -2.30 -0.32 0.00 1.68 0.00 0.00 54.58 53.63 2crw n ASN 77 Cb 0.16 -1.16 -0.01 0.00 -1.54 0.00 0.00 39.78 37.22 2crw n ASN 77 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2crw s TRP 78 N 1.39 3.43 -0.21 3.10 0.52 -1.26 -5.05 118.94 120.86 2crw s TRP 78 Ca 0.55 1.42 -0.09 0.00 0.02 0.00 0.00 56.10 58.01 2crw s TRP 78 Cb 0.26 -2.80 -0.04 0.00 -1.15 0.00 0.00 33.47 29.73 2crw s TRP 78 CO -0.00 -0.57 0.10 -1.12 0.02 0.00 0.00 176.95 175.38 2crw s SER 79 N -3.36 5.81 0.12 2.95 0.01 -1.26 -4.36 113.70 113.61 2crw s SER 79 Ca 0.58 0.09 -0.20 0.00 1.31 0.00 0.00 55.95 57.73 2crw s SER 79 Cb -0.11 -2.02 -0.02 0.00 0.21 0.00 0.00 66.02 64.08 2crw s SER 79 CO 0.39 0.13 1.07 0.79 0.41 0.00 0.00 173.24 176.03 2crw n TRP 80 N 3.83 -0.27 -0.23 2.43 7.02 -1.26 0.16 117.44 129.12 2crw n TRP 80 Ca -0.16 0.87 0.04 0.00 -1.02 0.00 0.00 57.50 57.22 2crw n TRP 80 Cb 0.52 -0.58 0.14 0.00 -2.42 0.00 0.00 31.31 28.97 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 0.08 0.27 -5.99 3.57 -1.94 -2.58 116.94 110.35 2crw h PHE 81 Ca 0.13 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 2crw h PHE 81 Cb 0.30 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.11 2crw h PHE 81 CO -0.70 -0.15 -0.13 1.96 -2.23 0.00 0.00 178.31 177.06 2crw h GLN 82 N 0.17 -0.35 -0.53 1.11 4.20 0.11 -2.72 115.11 117.10 2crw h GLN 82 Ca 0.38 0.02 0.07 0.00 0.06 0.00 0.00 58.65 59.18 2crw h GLN 82 Cb 0.63 0.08 -0.08 0.00 0.30 0.00 0.00 27.48 28.42 2crw h GLN 82 CO -0.54 -0.23 -0.25 1.28 -0.67 0.00 0.00 178.83 178.41 2crw n LEU 83 N -2.98 -0.43 -0.12 1.46 4.77 -0.30 0.22 117.00 119.61 2crw n LEU 83 Ca -0.05 0.94 -0.04 0.00 -0.03 0.00 0.00 56.01 56.83 2crw n LEU 83 Cb 0.14 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 41.08 2crw n LEU 83 CO 0.11 -0.81 0.83 0.03 -1.33 0.00 0.00 177.39 176.22 2crw h ARG 84 N 0.00 0.07 -1.26 3.23 2.47 -1.44 -1.00 114.38 116.45 2crw h ARG 84 Ca 0.15 -0.00 0.42 0.00 -1.26 0.00 0.00 59.98 59.29 2crw h ARG 84 Cb 0.28 -0.02 -0.11 0.00 -1.65 0.00 0.00 29.97 28.47 2crw h ARG 84 CO -0.52 0.04 0.83 0.00 0.56 0.00 0.00 179.97 180.89 2crw h MET 86 N 0.00 0.59 -0.18 0.00 2.86 -1.11 -3.08 114.93 114.01 2crw h MET 86 Ca 0.77 -0.35 -0.17 0.00 -2.06 0.00 0.00 59.70 57.88 2crw h MET 86 Cb 2.56 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 34.25 2crw h MET 86 CO -0.35 0.96 -0.60 1.96 1.06 0.00 0.00 176.91 179.95 2crw h GLN 87 N 0.27 0.60 -0.97 1.72 4.20 0.30 -2.90 115.11 118.33 2crw h GLN 87 Ca 0.02 -0.40 -0.07 0.00 0.06 0.00 0.00 58.65 58.26 2crw h GLN 87 Cb 0.91 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.71 2crw h GLN 87 CO 0.07 1.02 0.08 1.33 -0.67 0.00 0.00 178.83 180.67 2crw n VAL 88 N -3.94 1.12 0.00 -0.54 0.24 0.81 -4.58 118.33 111.44 2crw n VAL 88 Ca -0.04 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 2crw n VAL 88 Cb 0.64 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 32.27 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 0.15 0.62 0.00 7.63 0.00 -1.13 -4.75 105.19 107.72 2crw n GLY 89 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.73 0.06 -0.02 0.00 -0.96 -4.37 105.19 100.64 2crw n GLY 90 Ca 0.00 -1.75 -0.02 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.13 -0.90 1.61 4.21 -1.78 -3.28 115.58 115.31 2crw h ASN 91 Ca 0.00 0.00 0.19 0.00 1.21 0.00 0.00 56.30 57.70 2crw h ASN 91 Cb 0.00 0.03 -0.17 0.00 -1.12 0.00 0.00 38.32 37.06 2crw h ASN 91 CO 0.00 -0.07 -0.19 0.00 -1.29 0.00 0.00 177.43 175.88 2crw h ALA 92 N -1.88 0.65 -0.89 -0.83 0.00 -1.90 0.21 119.26 114.62 2crw h ALA 92 Ca -0.02 0.35 0.23 0.00 0.00 0.00 0.00 54.91 55.47 2crw h ALA 92 Cb 0.12 0.67 -0.17 0.00 0.00 0.00 0.00 17.79 18.41 2crw h ALA 92 CO 0.03 -0.41 -0.03 0.43 0.00 0.00 0.00 179.25 179.26 2crw n SER 93 N -5.56 -0.15 -0.04 0.00 7.64 -1.24 -0.35 113.62 113.92 2crw n SER 93 Ca 0.15 1.52 -0.15 0.00 1.01 0.00 0.00 58.87 61.40 2crw n SER 93 Cb 0.48 -0.53 -0.13 0.00 -1.01 0.00 0.00 64.21 63.02 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 1.79 -0.00 -1.07 -0.43 0.00 -0.67 -1.34 119.26 117.53 2crw h ALA 94 Ca 0.52 -0.49 0.43 0.00 0.00 0.00 0.00 54.91 55.36 2crw h ALA 94 Cb 1.02 0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.66 2crw h ALA 94 CO -0.86 0.05 0.61 0.45 0.00 0.00 0.00 179.25 179.50 2crw n SER 95 N -4.54 0.31 -0.09 0.00 2.88 0.52 -1.05 113.62 111.66 2crw n SER 95 Ca -0.10 1.56 -0.11 0.00 -1.33 0.00 0.00 58.87 58.89 2crw n SER 95 Cb 0.51 -0.76 -0.05 0.00 -0.75 0.00 0.00 64.21 63.16 2crw n SER 95 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2crw n SER 96 N -5.09 1.85 -0.26 -3.46 7.64 -0.51 -4.02 113.62 109.77 2crw n SER 96 Ca 0.38 0.52 0.07 0.00 1.01 0.00 0.00 58.87 60.84 2crw n SER 96 Cb 1.33 -0.87 0.14 0.00 -1.01 0.00 0.00 64.21 63.80 2crw n SER 96 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2crw n PHE 97 N -4.52 0.34 0.15 1.43 -0.00 -0.51 -0.67 117.46 113.68 2crw n PHE 97 Ca -0.18 0.90 -0.07 0.00 -0.00 0.00 0.00 57.45 58.11 2crw n PHE 97 Cb 0.45 -0.97 -0.03 0.00 -0.00 0.00 0.00 39.48 38.92 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 -0.45 -0.77 -5.13 -1.00 -1.29 -3.06 116.94 105.24 2crw h PHE 98 Ca 0.39 -0.00 0.15 0.00 2.81 0.00 0.00 57.97 61.32 2crw h PHE 98 Cb 0.67 0.16 -0.15 0.00 3.61 0.00 0.00 35.95 40.25 2crw h PHE 98 CO -0.51 -0.25 -0.20 1.25 -1.61 0.00 0.00 178.31 176.99 2crw h HIS 99 N -0.42 -0.44 -0.90 -0.55 2.76 -1.03 0.11 115.15 114.69 2crw h HIS 99 Ca -0.04 0.07 0.25 0.00 -2.20 0.00 0.00 60.37 58.45 2crw h HIS 99 Cb 0.33 0.31 -0.17 0.00 1.55 0.00 0.00 27.41 29.44 2crw h HIS 99 CO 0.04 -0.33 0.02 1.04 -1.30 0.00 0.00 177.93 177.39 2crw n GLN 100 N -5.50 -0.07 -0.03 5.26 1.13 0.16 0.46 117.38 118.78 2crw n GLN 100 Ca 0.10 1.34 -0.14 0.00 -1.94 0.00 0.00 57.00 56.36 2crw n GLN 100 Cb 0.39 -2.13 -0.10 0.00 0.11 0.00 0.00 30.24 28.51 2crw n GLN 100 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2crw h HIS 101 N 0.00 0.35 0.00 1.08 2.76 -0.75 -3.49 115.15 115.10 2crw h HIS 101 Ca 0.54 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 58.56 2crw h HIS 101 Cb 1.12 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.02 2crw h HIS 101 CO -0.46 0.86 0.00 0.41 -1.30 0.00 0.00 177.93 177.44 2crw n GLY 102 N 0.66 0.85 0.14 5.26 0.00 0.17 -5.05 105.19 107.22 2crw n GLY 102 Ca -0.08 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.61 -3.11 -3.95 0.00 2.88 -1.26 -4.93 113.62 98.63 2crw n SER 104 Ca -0.05 -0.85 -0.16 0.00 -1.33 0.00 0.00 58.87 56.47 2crw n SER 104 Cb 0.30 -2.58 -0.15 0.00 -0.75 0.00 0.00 64.21 61.03 2crw n SER 104 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2crw s THR 105 N -3.14 0.45 -0.22 2.46 2.01 -1.26 -5.05 115.64 110.89 2crw s THR 105 Ca 0.66 -0.22 -0.02 0.00 0.31 0.00 0.00 61.69 62.42 2crw s THR 105 Cb -0.36 -0.39 -0.13 0.00 0.01 0.00 0.00 72.50 71.63 2crw s THR 105 CO 0.81 0.14 -0.22 0.59 -0.69 0.00 0.00 174.62 175.25 2crw n ASN 106 N 3.08 2.12 -3.59 3.53 3.02 -1.26 -4.70 115.26 117.45 2crw n ASN 106 Ca -0.15 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.01 2crw n ASN 106 Cb 0.57 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 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 -3.40 -0.90 0.11 6.41 8.00 -1.26 -4.64 116.55 120.87 2crw n ASP 107 Ca -0.40 0.92 -0.19 0.00 0.71 0.00 0.00 54.79 55.83 2crw n ASP 107 Cb 0.88 -0.77 -0.13 0.00 -0.02 0.00 0.00 41.12 41.08 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 1.01 1.39 0.00 -3.53 2.02 -1.97 0.37 112.91 112.19 2crw h THR 108 Ca -0.25 -2.78 0.00 0.00 0.77 0.00 0.00 66.41 64.15 2crw h THR 108 Cb 1.17 2.87 0.00 0.00 -1.74 0.00 0.00 68.15 70.45 2crw h THR 108 CO 0.47 0.83 0.00 -3.20 0.37 0.00 0.00 175.52 173.99 2crw n ASN 109 N -3.66 0.00 0.01 4.18 5.15 -1.26 -3.08 115.26 116.60 2crw n ASN 109 Ca -0.12 -0.11 -0.03 0.00 -0.60 0.00 0.00 54.58 53.72 2crw n ASN 109 Cb 1.02 -0.28 -0.01 0.00 -0.53 0.00 0.00 39.78 39.98 2crw n ASN 109 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2crw n ALA 110 N -1.28 2.59 -0.34 5.20 0.00 -1.20 -4.11 120.51 121.37 2crw n ALA 110 Ca 0.13 -0.18 0.18 0.00 0.00 0.00 0.00 53.44 53.57 2crw n ALA 110 Cb 0.21 0.26 0.39 0.00 0.00 0.00 0.00 19.45 20.30 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 -0.20 0.50 0.00 0.00 3.64 -0.40 0.42 116.57 120.54 2crw h LYS 111 Ca -0.03 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.17 2crw h LYS 111 Cb 0.41 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2crw h LYS 111 CO -0.02 0.33 -0.88 1.88 -2.27 0.00 0.00 179.45 178.49 2crw h TYR 112 N 0.52 0.00 -0.28 1.91 0.05 -1.70 -3.24 116.97 114.22 2crw h TYR 112 Ca 0.64 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.42 2crw h TYR 112 Cb 1.26 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.00 2crw h TYR 112 CO -0.03 0.64 0.00 0.09 -1.05 0.00 0.00 178.16 177.81 2crw n ASN 113 N -3.16 3.21 -4.86 3.88 3.02 0.13 -4.45 115.26 113.03 2crw n ASN 113 Ca -0.02 -2.42 -0.21 0.00 -0.03 0.00 0.00 54.58 51.89 2crw n ASN 113 Cb 0.82 -0.57 -0.04 0.00 -0.61 0.00 0.00 39.78 39.38 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 -0.40 5.47 0.10 6.41 1.04 -0.23 -4.95 113.70 121.15 2crw s SER 114 Ca 0.26 -0.36 -0.31 0.00 0.48 0.00 0.00 55.95 56.03 2crw s SER 114 Cb 0.20 -1.19 -0.12 0.00 0.10 0.00 0.00 66.02 65.01 2crw s SER 114 CO 0.08 -0.24 1.61 -0.09 0.98 0.00 0.00 173.24 175.58 2crw h ARG 115 N 1.30 -0.66 -0.95 4.02 9.65 -1.90 -2.39 114.38 123.45 2crw h ARG 115 Ca -0.46 0.05 0.19 0.00 -1.10 0.00 0.00 59.98 58.65 2crw h ARG 115 Cb 1.25 0.15 -0.18 0.00 -1.39 0.00 0.00 29.97 29.80 2crw h ARG 115 CO 0.59 -0.44 -0.24 0.00 2.80 0.00 0.00 179.97 182.68 2crw h ALA 116 N -0.19 0.63 0.34 2.80 0.00 -1.94 0.93 119.26 121.83 2crw h ALA 116 Ca -0.01 0.37 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 2crw h ALA 116 Cb 0.65 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2crw h ALA 116 CO -0.12 -0.39 -0.29 0.00 0.00 0.00 0.00 179.25 178.45 2crw h ALA 117 N 1.95 -0.64 -0.28 0.00 0.00 -1.64 -3.02 119.26 115.62 2crw h ALA 117 Ca 0.46 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.31 2crw h ALA 117 Cb 0.70 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 2crw h ALA 117 CO -0.98 -0.89 -0.52 1.96 0.00 0.00 0.00 179.25 178.82 2crw h GLN 118 N -0.64 -0.45 -0.95 0.00 4.20 -0.38 -0.13 115.11 116.76 2crw h GLN 118 Ca -0.02 0.03 0.31 0.00 0.06 0.00 0.00 58.65 59.03 2crw h GLN 118 Cb 0.57 0.10 -0.17 0.00 0.30 0.00 0.00 27.48 28.28 2crw h GLN 118 CO -0.03 -0.30 0.21 1.28 -0.67 0.00 0.00 178.83 179.31 2crw n LEU 119 N -5.41 0.06 0.16 1.46 4.77 -0.56 -1.00 117.00 116.47 2crw n LEU 119 Ca -0.04 1.60 -0.07 0.00 -0.03 0.00 0.00 56.01 57.46 2crw n LEU 119 Cb 0.36 -0.66 -0.04 0.00 -2.33 0.00 0.00 43.42 40.76 2crw n LEU 119 CO 0.05 -1.68 0.51 0.22 -1.33 0.00 0.00 177.39 175.16 2crw h TYR 120 N 0.00 -0.49 -0.36 -1.77 5.03 -0.90 -2.38 116.97 116.11 2crw h TYR 120 Ca 0.66 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 62.00 2crw h TYR 120 Cb 1.54 0.18 -0.04 0.00 1.55 0.00 0.00 36.73 39.96 2crw h TYR 120 CO -0.30 -0.27 -0.21 0.54 -1.32 0.00 0.00 178.16 176.60 2crw n ARG 121 N -3.40 -0.16 -0.27 1.82 1.74 -0.17 0.22 116.66 116.44 2crw n ARG 121 Ca -0.05 0.94 -0.02 0.00 -0.77 0.00 0.00 57.85 57.95 2crw n ARG 121 Cb 0.18 -1.40 0.04 0.00 -1.02 0.00 0.00 32.46 30.27 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 -0.07 -0.39 5.56 5.08 -1.51 0.28 114.58 123.53 2crw h GLU 122 Ca 0.06 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.50 2crw h GLU 122 Cb 0.15 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.32 2crw h GLU 122 CO -0.33 -0.05 -0.25 -0.22 -1.00 0.00 0.00 179.01 177.15 2crw h LYS 123 N -0.07 -0.18 -0.74 2.33 3.64 0.32 -0.77 116.57 121.10 2crw h LYS 123 Ca 0.31 0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.86 2crw h LYS 123 Cb 0.57 0.04 -0.12 0.00 -0.41 0.00 0.00 32.23 32.32 2crw h LYS 123 CO -0.80 -0.12 0.11 0.82 -2.27 0.00 0.00 179.45 177.19 2crw h ILE 124 N -0.19 0.45 -0.63 2.00 1.08 0.31 0.71 117.51 121.24 2crw h ILE 124 Ca 0.19 -0.07 0.08 0.00 -0.39 0.00 0.00 64.86 64.67 2crw h ILE 124 Cb 0.48 0.23 -0.06 0.00 -3.07 0.00 0.00 36.82 34.40 2crw h ILE 124 CO -0.50 0.04 0.30 0.50 -0.69 0.00 0.00 178.15 177.80 2crw h LYS 125 N 0.20 0.52 0.14 2.37 3.64 -0.67 0.20 116.57 122.96 2crw h LYS 125 Ca 0.41 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.76 2crw h LYS 125 Cb 0.73 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2crw h LYS 125 CO -0.57 0.35 -0.07 1.03 -2.27 0.00 0.00 179.45 177.92 2crw h SER 126 N 0.54 -0.17 -0.60 4.20 0.87 -0.44 -3.17 113.55 114.77 2crw h SER 126 Ca 0.30 0.01 0.11 0.00 -1.23 0.00 0.00 61.79 60.98 2crw h SER 126 Cb 0.29 0.04 -0.12 0.00 -0.44 0.00 0.00 62.40 62.18 2crw h SER 126 CO -0.24 -0.12 -0.30 -0.07 -0.53 0.00 0.00 176.83 175.57 2crw h LEU 127 N -0.19 -1.05 -1.53 2.23 3.38 -1.33 0.28 115.31 117.10 2crw h LEU 127 Ca -0.02 0.22 0.47 0.00 0.09 0.00 0.00 57.88 58.64 2crw h LEU 127 Cb 0.15 0.54 -0.09 0.00 0.09 0.00 0.00 40.66 41.35 2crw h LEU 127 CO 0.03 -0.29 1.07 0.00 0.09 0.00 0.00 178.44 179.34 2crw n ALA 128 N -3.14 1.48 -0.05 1.53 0.00 0.05 0.19 120.51 120.57 2crw n ALA 128 Ca 0.05 0.63 -0.13 0.00 0.00 0.00 0.00 53.44 54.00 2crw n ALA 128 Cb 0.35 -0.96 -0.07 0.00 0.00 0.00 0.00 19.45 18.77 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 0.30 -0.94 0.00 4.64 -0.41 0.21 113.55 117.35 2crw h SER 129 Ca 0.80 -0.42 0.22 0.00 -0.47 0.00 0.00 61.79 61.92 2crw h SER 129 Cb 2.98 -0.08 -0.12 0.00 -0.31 0.00 0.00 62.40 64.87 2crw h SER 129 CO -0.15 0.65 0.49 1.56 -0.87 0.00 0.00 176.83 178.51 2crw h GLN 130 N -0.06 0.51 0.16 4.77 4.20 0.20 0.58 115.11 125.46 2crw h GLN 130 Ca 0.03 -0.03 -0.27 0.00 0.06 0.00 0.00 58.65 58.44 2crw h GLN 130 Cb 0.54 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.22 2crw h GLN 130 CO 0.02 0.33 -1.31 0.00 -0.67 0.00 0.00 178.83 177.20 2crw h ALA 131 N 1.70 0.04 0.62 3.87 0.00 -1.46 -3.23 119.26 120.79 2crw h ALA 131 Ca 0.58 -0.95 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 2crw h ALA 131 Cb 1.06 0.32 0.01 0.00 0.00 0.00 0.00 17.79 19.18 2crw h ALA 131 CO -0.48 0.71 -0.30 1.15 0.00 0.00 0.00 179.25 180.34 2crw h THR 132 N -0.19 0.00 -0.89 0.00 2.02 0.39 -3.06 112.91 111.18 2crw h THR 132 Ca -0.26 -0.04 0.24 0.00 0.77 0.00 0.00 66.41 67.12 2crw h THR 132 Cb 1.85 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 68.12 2crw h THR 132 CO 0.14 0.00 0.30 -0.09 0.37 0.00 0.00 175.52 176.24 2crw h ARG 133 N -0.87 0.25 -6.02 6.66 2.43 -0.08 -3.30 114.38 113.45 2crw h ARG 133 Ca -0.08 -0.01 -0.79 0.00 -0.81 0.00 0.00 59.98 58.28 2crw h ARG 133 Cb 0.63 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 2crw h ARG 133 CO 0.14 0.16 1.04 1.17 -1.51 0.00 0.00 179.97 180.97 2crw n LYS 134 N -5.17 0.33 -4.44 0.20 4.81 -1.16 0.03 118.16 112.76 2crw n LYS 134 Ca 0.22 0.11 -0.38 0.00 -0.87 0.00 0.00 58.31 57.39 2crw n LYS 134 Cb 0.71 -1.72 -0.08 0.00 0.02 0.00 0.00 35.03 33.96 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 6.16 -1.24 0.00 5.64 8.25 -1.26 -4.51 115.22 128.27 2crw n HIS 135 Ca 0.40 0.67 0.00 0.00 -0.26 0.00 0.00 57.72 58.53 2crw n HIS 135 Cb 0.01 -2.29 0.00 0.00 1.12 0.00 0.00 29.99 28.83 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 -1.63 1.62 0.07 -1.41 0.00 0.10 -0.73 105.19 103.21 2crw n GLY 136 Ca -0.05 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 2crw n GLY 136 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2crw h THR 137 N 0.00 1.09 0.00 2.61 1.35 -1.81 -3.43 112.91 112.71 2crw h THR 137 Ca 0.00 -0.42 -0.40 0.00 -0.55 0.00 0.00 66.41 65.04 2crw h THR 137 Cb 0.00 1.37 -0.06 0.00 -1.73 0.00 0.00 68.15 67.73 2crw h THR 137 CO 0.00 0.11 1.20 0.47 -0.25 0.00 0.00 175.52 177.05 2crw n ASP 138 N -5.03 0.28 -4.51 5.36 9.92 0.09 -4.55 116.55 118.11 2crw n ASP 138 Ca -0.08 0.20 -0.40 0.00 -0.53 0.00 0.00 54.79 53.98 2crw n ASP 138 Cb 0.13 -0.66 -0.13 0.00 -0.64 0.00 0.00 41.12 39.82 2crw n ASP 138 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2crw n LEU 139 N 7.11 0.63 -0.24 0.64 7.94 -1.26 -4.64 117.00 127.18 2crw n LEU 139 Ca 0.46 0.07 0.11 0.00 -1.11 0.00 0.00 56.01 55.55 2crw n LEU 139 Cb 0.01 -1.03 0.22 0.00 0.53 0.00 0.00 43.42 43.15 2crw n LEU 139 CO 0.67 -0.86 0.57 -2.67 -1.11 0.00 0.00 177.39 173.99 2crw n TRP 140 N 11.35 0.47 -0.25 1.96 2.14 -1.26 -0.32 117.44 131.52 2crw n TRP 140 Ca 0.61 0.85 -0.07 0.00 2.07 0.00 0.00 57.50 60.96 2crw n TRP 140 Cb 0.11 -1.04 -0.06 0.00 -0.81 0.00 0.00 31.31 29.51 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 -4.93 -0.64 -3.71 5.67 4.77 -1.26 -4.81 117.00 112.08 2crw n LEU 141 Ca 0.17 1.45 -0.08 0.00 -0.03 0.00 0.00 56.01 57.52 2crw n LEU 141 Cb 0.56 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 2crw n LEU 141 CO -0.05 -1.06 0.47 -0.62 -1.33 0.00 0.00 177.39 174.80 2crw s ASP 142 N -4.55 -0.35 -0.61 -1.43 2.15 0.56 -5.11 116.67 107.33 2crw s ASP 142 Ca -0.07 -0.39 -0.27 0.00 0.43 0.00 0.00 52.55 52.24 2crw s ASP 142 Cb 0.07 0.67 0.01 0.00 -0.30 0.00 0.00 42.92 43.36 2crw s ASP 142 CO 0.38 -1.18 1.52 -0.55 -0.17 0.00 0.00 175.17 175.16 2crw s SER 143 N -2.86 5.89 0.03 -0.34 0.15 -1.26 -4.24 113.70 111.08 2crw s SER 143 Ca 0.08 0.16 -0.18 0.00 0.70 0.00 0.00 55.95 56.71 2crw s SER 143 Cb -0.04 -2.54 -0.20 0.00 -1.71 0.00 0.00 66.02 61.52 2crw s SER 143 CO 0.00 -1.92 1.18 -1.28 1.20 0.00 0.00 173.24 172.42 2crw h SER 144 N 11.93 0.63 0.00 5.45 0.87 -1.97 -3.49 113.55 126.97 2crw h SER 144 Ca -0.27 -0.69 0.00 0.00 -1.23 0.00 0.00 61.79 59.60 2crw h SER 144 Cb 1.10 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 2crw h SER 144 CO 1.21 1.23 0.00 0.61 -0.53 0.00 0.00 176.83 179.34 2crw n GLY 145 N 0.87 2.03 3.70 5.77 0.00 -1.26 -5.12 105.19 111.18 2crw n GLY 145 Ca -0.09 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.06 4.31 -0.04 1.61 0.04 -1.26 -4.99 135.00 134.61 2crw s PRO 146 Ca 0.00 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 2crw s PRO 146 Cb 0.00 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 2crw s PRO 146 CO 0.00 -0.49 1.07 -1.12 0.04 0.00 0.00 177.00 176.51 2crw s SER 147 N 1.44 7.21 -0.50 6.66 0.01 -1.26 -4.92 113.70 122.34 2crw s SER 147 Ca 0.64 1.71 -0.34 0.00 1.31 0.00 0.00 55.95 59.27 2crw s SER 147 Cb -0.35 -2.56 -0.13 0.00 0.21 0.00 0.00 66.02 63.19 2crw s SER 147 CO 0.29 -0.43 2.31 -1.20 0.41 0.00 0.00 173.24 174.62 2crw n SER 148 N 4.58 1.71 0.00 2.44 7.64 -1.26 -5.16 113.62 123.57 2crw n SER 148 Ca 0.09 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.21 2crw n SER 148 Cb 0.48 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 2crw n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64