#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 4.58 -0.28 1.61 0.01 -1.26 -5.11 113.70 113.25 2crw s SER 2 Ca 0.00 -0.06 -0.22 0.00 1.31 0.00 0.00 55.95 56.98 2crw s SER 2 Cb 0.00 -1.12 0.08 0.00 0.21 0.00 0.00 66.02 65.20 2crw s SER 2 CO 0.00 0.35 0.77 -0.94 0.41 0.00 0.00 173.24 173.83 2crw s SER 3 N -0.90 -0.75 0.00 2.44 1.04 -1.26 -5.14 113.70 109.13 2crw s SER 3 Ca 0.13 1.35 0.00 0.00 0.48 0.00 0.00 55.95 57.91 2crw s SER 3 Cb -0.11 1.35 0.00 0.00 0.10 0.00 0.00 66.02 67.36 2crw s SER 3 CO 0.02 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.63 2crw n GLY 4 N 3.16 3.83 3.92 7.32 0.00 -1.26 -5.13 105.19 117.03 2crw n GLY 4 Ca -0.16 -1.12 -0.26 0.00 0.00 0.00 0.00 46.02 44.49 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 6.33 -0.65 1.61 0.01 -1.26 -5.00 113.70 114.74 2crw s SER 5 Ca 0.00 0.65 -0.02 0.00 1.31 0.00 0.00 55.95 57.88 2crw s SER 5 Cb 0.00 -2.12 0.30 0.00 0.21 0.00 0.00 66.02 64.41 2crw s SER 5 CO 0.00 -0.34 2.19 -1.54 0.41 0.00 0.00 173.24 173.95 2crw n SER 6 N -1.69 7.23 -4.30 2.44 3.41 -1.26 -4.85 113.62 114.60 2crw n SER 6 Ca -0.03 -3.59 -0.32 0.00 -0.26 0.00 0.00 58.87 54.67 2crw n SER 6 Cb 0.55 -1.08 -0.08 0.00 -0.26 0.00 0.00 64.21 63.34 2crw n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2crw n GLY 7 N -0.23 -0.19 1.64 5.00 0.00 -1.26 -4.76 105.19 105.40 2crw n GLY 7 Ca 0.52 0.16 -0.04 0.00 0.00 0.00 0.00 46.02 46.66 2crw n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2crw n MET 8 N -4.48 1.28 0.00 1.61 -0.00 -1.26 -4.97 117.12 109.30 2crw n MET 8 Ca -0.25 -0.33 0.00 0.00 -0.00 0.00 0.00 57.70 57.12 2crw n MET 8 Cb 0.65 -1.26 0.00 0.00 -0.00 0.00 0.00 33.22 32.61 2crw n MET 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2crw n GLY 9 N 1.64 0.83 3.09 3.17 0.00 -1.26 -4.80 105.19 107.86 2crw n GLY 9 Ca 0.12 -0.43 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 2crw n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2crw s ASP 10 N -3.44 0.62 -0.12 1.61 1.11 -1.26 -4.99 116.67 110.20 2crw s ASP 10 Ca 0.00 -0.92 -0.29 0.00 0.18 0.00 0.00 52.55 51.51 2crw s ASP 10 Cb 0.00 0.16 -0.04 0.00 1.07 0.00 0.00 42.92 44.11 2crw s ASP 10 CO 0.00 -0.52 1.54 -2.16 1.18 0.00 0.00 175.17 175.21 2crw s PRO 11 N -3.51 4.11 1.09 8.23 0.04 -1.26 -5.00 135.00 138.70 2crw s PRO 11 Ca 0.05 1.93 -0.12 0.00 0.04 0.00 0.00 61.00 62.89 2crw s PRO 11 Cb 0.04 -3.94 0.24 0.00 0.04 0.00 0.00 34.50 30.89 2crw s PRO 11 CO -0.07 -0.91 1.06 -1.12 0.04 0.00 0.00 177.00 175.99 2crw s SER 12 N 3.18 1.66 0.13 6.66 0.01 -1.26 -4.61 113.70 119.46 2crw s SER 12 Ca 0.68 1.56 -0.31 0.00 1.31 0.00 0.00 55.95 59.19 2crw s SER 12 Cb -0.28 -2.27 -0.08 0.00 0.21 0.00 0.00 66.02 63.60 2crw s SER 12 CO 0.25 -3.78 1.56 0.50 0.41 0.00 0.00 173.24 172.18 2crw h LYS 13 N -2.34 -0.45 -0.41 12.44 3.64 -1.95 -1.04 116.57 126.46 2crw h LYS 13 Ca -0.57 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 58.88 2crw h LYS 13 Cb 1.32 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 33.17 2crw h LYS 13 CO 0.51 -0.30 -0.42 1.96 -2.27 0.00 0.00 179.45 178.92 2crw h GLN 14 N -0.47 -0.22 -0.62 1.90 1.08 -1.99 -0.51 115.11 114.28 2crw h GLN 14 Ca 0.07 0.02 0.12 0.00 -1.45 0.00 0.00 58.65 57.41 2crw h GLN 14 Cb 0.63 0.05 -0.12 0.00 -0.05 0.00 0.00 27.48 27.99 2crw h GLN 14 CO -0.50 -0.15 -0.27 -0.44 -0.95 0.00 0.00 178.83 176.53 2crw h ASP 15 N -0.23 -0.95 -0.96 1.46 3.32 -1.80 0.24 116.42 117.51 2crw h ASP 15 Ca 0.07 0.22 0.17 0.00 0.02 0.00 0.00 57.03 57.51 2crw h ASP 15 Cb 0.41 0.51 -0.10 0.00 0.22 0.00 0.00 39.33 40.37 2crw h ASP 15 CO -0.51 -0.27 0.56 0.40 -1.72 0.00 0.00 179.24 177.70 2crw h ILE 16 N -0.10 0.72 0.00 0.35 2.04 0.13 0.34 117.51 120.99 2crw h ILE 16 Ca 0.27 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 2crw h ILE 16 Cb 0.53 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 2crw h ILE 16 CO -0.69 0.13 -0.22 -0.07 0.00 0.00 0.00 178.15 177.31 2crw h LEU 17 N 0.74 0.00 -1.00 1.44 3.38 0.94 -2.27 115.31 118.55 2crw h LEU 17 Ca 0.54 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.41 2crw h LEU 17 Cb 0.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2crw h LEU 17 CO -0.37 0.22 -0.42 0.74 0.09 0.00 0.00 178.44 178.70 2crw h THR 18 N 0.00 1.31 0.00 0.22 2.02 0.47 0.26 112.91 117.20 2crw h THR 18 Ca -0.00 -1.51 -0.17 0.00 0.77 0.00 0.00 66.41 65.50 2crw h THR 18 Cb 0.43 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 2crw h THR 18 CO 0.03 0.45 -0.80 0.40 0.37 0.00 0.00 175.52 175.96 2crw h ILE 19 N 0.14 1.44 0.13 3.11 5.03 -1.14 -3.30 117.51 122.91 2crw h ILE 19 Ca 0.01 -2.89 -0.28 0.00 -0.12 0.00 0.00 64.86 61.58 2crw h ILE 19 Cb 0.80 2.62 0.00 0.00 -3.03 0.00 0.00 36.82 37.21 2crw h ILE 19 CO 0.06 0.79 -1.39 -0.26 -0.68 0.00 0.00 178.15 176.67 2crw h PHE 20 N 0.00 0.49 -1.14 1.37 0.04 -1.26 -3.34 116.94 113.10 2crw h PHE 20 Ca -0.01 -0.36 0.32 0.00 2.80 0.00 0.00 57.97 60.73 2crw h PHE 20 Cb 1.56 -0.02 -0.09 0.00 2.20 0.00 0.00 35.95 39.60 2crw h PHE 20 CO 0.00 1.54 0.75 1.57 -0.60 0.00 0.00 178.31 181.57 2crw h LYS 21 N -0.26 0.24 -0.50 1.51 2.10 -0.59 0.56 116.57 119.63 2crw h LYS 21 Ca -0.29 -0.01 -0.10 0.00 -2.00 0.00 0.00 60.65 58.25 2crw h LYS 21 Cb 1.79 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 33.05 2crw h LYS 21 CO 0.08 0.16 -0.06 -0.09 -2.00 0.00 0.00 179.45 177.54 2crw h ARG 22 N 0.25 0.93 0.05 0.07 2.43 -1.68 -2.44 114.38 113.98 2crw h ARG 22 Ca 0.64 -0.33 -0.00 0.00 -0.81 0.00 0.00 59.98 59.48 2crw h ARG 22 Cb 1.90 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.39 2crw h ARG 22 CO -0.26 0.99 -0.02 -0.07 -1.51 0.00 0.00 179.97 179.09 2crw h LEU 23 N 0.79 -0.06 -0.84 3.80 3.38 -0.29 -3.36 115.31 118.74 2crw h LEU 23 Ca 0.13 -0.27 0.16 0.00 0.09 0.00 0.00 57.88 57.99 2crw h LEU 23 Cb 0.61 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.22 2crw h LEU 23 CO 0.04 0.56 -0.26 0.03 0.09 0.00 0.00 178.44 178.90 2crw h ARG 24 N -1.00 -0.02 -1.46 1.13 3.08 -0.28 0.56 114.38 116.39 2crw h ARG 24 Ca -0.01 0.00 0.49 0.00 0.07 0.00 0.00 59.98 60.53 2crw h ARG 24 Cb 0.32 0.01 -0.13 0.00 0.08 0.00 0.00 29.97 30.25 2crw h ARG 24 CO 0.01 -0.02 0.96 0.66 -1.07 0.00 0.00 179.97 180.51 2crw h SER 25 N -0.02 0.17 -3.52 7.04 4.64 -1.57 -3.30 113.55 116.99 2crw h SER 25 Ca 0.37 0.14 -0.52 0.00 -0.47 0.00 0.00 61.79 61.31 2crw h SER 25 Cb 0.61 0.14 0.01 0.00 -0.31 0.00 0.00 62.40 62.85 2crw h SER 25 CO -0.87 -0.22 0.50 -0.69 -0.87 0.00 0.00 176.83 174.68 2crw s VAL 26 N -5.21 3.80 -2.00 0.95 1.01 0.20 -4.91 120.40 114.24 2crw s VAL 26 Ca -0.07 1.53 0.13 0.00 0.00 0.00 0.00 61.98 63.57 2crw s VAL 26 Cb 0.31 -3.97 0.38 0.00 0.00 0.00 0.00 36.38 33.09 2crw s VAL 26 CO 0.84 0.25 1.21 -0.81 0.00 0.00 0.00 175.10 176.59 2crw n PRO 27 N 2.51 0.49 -0.00 2.72 -0.04 -1.26 -1.72 135.00 137.70 2crw n PRO 27 Ca 0.04 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.57 2crw n PRO 27 Cb 0.46 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.92 0.00 -0.06 0.52 -2.24 -1.26 -4.52 114.28 105.80 2crw n THR 28 Ca 0.10 -0.27 -0.04 0.00 -2.27 0.00 0.00 64.05 61.56 2crw n THR 28 Cb 0.05 0.49 -0.12 0.00 -2.10 0.00 0.00 70.33 68.64 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 -1.76 1.37 0.00 3.42 3.02 -0.82 -4.34 115.26 116.15 2crw n ASN 29 Ca -0.01 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.58 2crw n ASN 29 Cb 0.33 1.02 0.21 0.00 -0.61 0.00 0.00 39.78 40.73 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 -2.45 0.78 -3.75 3.52 2.85 -0.70 -4.58 118.16 113.82 2crw n LYS 30 Ca -0.20 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 56.84 2crw n LYS 30 Cb 0.87 -1.14 -0.18 0.00 -0.65 0.00 0.00 35.03 33.94 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 -2.00 0.30 -0.38 0.58 -7.23 -1.26 -0.72 120.40 109.69 2crw s VAL 31 Ca 0.11 0.17 -0.34 0.00 -1.81 0.00 0.00 61.98 60.10 2crw s VAL 31 Cb 0.05 -0.47 -0.15 0.00 0.56 0.00 0.00 36.38 36.37 2crw s VAL 31 CO 0.08 0.25 1.52 0.00 -0.31 0.00 0.00 175.10 176.64 2crw h PHE 33 N 6.06 0.00 0.00 0.00 3.04 -1.41 0.96 116.94 125.58 2crw h PHE 33 Ca -0.15 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.80 2crw h PHE 33 Cb 1.07 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.58 2crw h PHE 33 CO 0.68 0.00 0.00 -3.47 -2.02 0.00 0.00 178.31 173.50 2crw n ASP 34 N -3.79 0.00 -0.13 0.41 -0.08 -1.26 -4.70 116.55 107.01 2crw n ASP 34 Ca 0.13 0.66 -0.27 0.00 -1.51 0.00 0.00 54.79 53.80 2crw n ASP 34 Cb 0.84 -0.43 -0.11 0.00 2.34 0.00 0.00 41.12 43.76 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 1.35 1.03 3.67 0.00 0.00 0.33 -4.92 105.19 106.66 2crw n GLY 36 Ca -0.48 0.00 -0.49 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 0.82 -1.78 4.61 0.00 -1.26 -4.04 120.51 118.87 2crw n ALA 37 Ca 0.00 0.36 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 2crw n ALA 37 Cb 0.00 -2.40 -0.01 0.00 0.00 0.00 0.00 19.45 17.04 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 2.70 4.24 -0.91 0.00 1.02 -1.26 -1.34 119.74 124.19 2crw s LYS 38 Ca 0.88 2.38 -0.01 0.00 0.02 0.00 0.00 55.97 59.23 2crw s LYS 38 Cb -0.74 -3.03 -0.01 0.00 -0.52 0.00 0.00 37.83 33.53 2crw s LYS 38 CO 0.48 -0.36 0.76 -1.71 -0.92 0.00 0.00 175.35 173.60 2crw n ASN 39 N 0.83 -2.99 -4.58 2.83 5.15 0.10 -4.87 115.26 111.74 2crw n ASN 39 Ca 0.01 -0.50 -0.28 0.00 -0.60 0.00 0.00 54.58 53.21 2crw n ASN 39 Cb 0.40 -4.13 -0.06 0.00 -0.53 0.00 0.00 39.78 35.46 2crw n ASN 39 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2crw s PRO 40 N -4.80 2.50 0.02 1.20 0.04 -1.21 -4.84 135.00 127.92 2crw s PRO 40 Ca 0.10 -1.17 -0.05 0.00 0.04 0.00 0.00 61.00 59.91 2crw s PRO 40 Cb -0.01 -5.25 -0.01 0.00 0.04 0.00 0.00 34.50 29.27 2crw s PRO 40 CO 0.57 -3.98 1.08 0.66 0.04 0.00 0.00 177.00 175.37 2crw h SER 41 N 9.71 -0.33 -2.53 6.66 4.64 -1.90 -3.37 113.55 126.43 2crw h SER 41 Ca 0.22 0.05 -0.60 0.00 -0.47 0.00 0.00 61.79 60.99 2crw h SER 41 Cb 0.94 0.14 0.13 0.00 -0.31 0.00 0.00 62.40 63.30 2crw h SER 41 CO 1.23 -0.04 -0.10 0.79 -0.87 0.00 0.00 176.83 177.84 2crw n TRP 42 N -3.33 0.47 -3.69 4.77 7.02 -1.13 -3.89 117.44 117.66 2crw n TRP 42 Ca 0.00 0.63 -0.11 0.00 -1.02 0.00 0.00 57.50 57.01 2crw n TRP 42 Cb 0.04 -2.13 -0.11 0.00 -2.42 0.00 0.00 31.31 26.69 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 -1.28 -0.93 -0.25 6.99 0.00 -1.14 -0.34 121.76 124.81 2crw s ALA 43 Ca 0.62 1.38 -0.23 0.00 0.00 0.00 0.00 51.96 53.73 2crw s ALA 43 Cb -0.63 -0.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.54 2crw s ALA 43 CO 0.58 -0.35 0.76 0.45 0.00 0.00 0.00 175.76 177.20 2crw s SER 44 N 1.62 6.74 -0.06 0.00 0.15 0.09 -1.75 113.70 120.49 2crw s SER 44 Ca -0.08 0.91 -0.17 0.00 0.70 0.00 0.00 55.95 57.31 2crw s SER 44 Cb -0.10 -2.40 -0.13 0.00 -1.71 0.00 0.00 66.02 61.69 2crw s SER 44 CO -0.12 -0.47 0.70 0.40 1.20 0.00 0.00 173.24 174.95 2crw h ILE 45 N 5.43 0.59 -0.74 6.45 2.04 -1.41 0.98 117.51 130.85 2crw h ILE 45 Ca -0.24 -1.05 0.25 0.00 1.00 0.00 0.00 64.86 64.82 2crw h ILE 45 Cb 1.10 1.01 -0.13 0.00 -0.74 0.00 0.00 36.82 38.06 2crw h ILE 45 CO 0.84 0.16 0.20 0.41 0.00 0.00 0.00 178.15 179.76 2crw n THR 46 N -4.94 -0.31 -0.07 -0.27 -1.04 -1.26 0.69 114.28 107.08 2crw n THR 46 Ca -0.07 1.56 -0.04 0.00 -2.04 0.00 0.00 64.05 63.46 2crw n THR 46 Cb 0.23 -2.39 -0.16 0.00 -1.82 0.00 0.00 70.33 66.19 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 -4.85 0.00 -2.43 -1.42 4.02 -1.24 -4.41 117.16 106.83 2crw n TYR 47 Ca 0.22 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 58.10 2crw n TYR 47 Cb 0.75 -0.83 0.00 0.00 -0.02 0.00 0.00 39.34 39.24 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 1.67 0.70 3.72 2.72 0.00 0.32 -4.48 105.19 109.84 2crw n GLY 48 Ca -0.24 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.77 1.59 -0.08 1.61 -7.23 -0.22 -1.19 120.40 112.11 2crw s VAL 49 Ca 0.03 -1.95 -0.02 0.00 -1.81 0.00 0.00 61.98 58.23 2crw s VAL 49 Cb -0.01 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 2crw s VAL 49 CO 0.04 0.00 0.01 -0.36 -0.31 0.00 0.00 175.10 174.48 2crw s PHE 50 N -2.79 3.18 0.23 2.82 0.08 -1.26 -0.73 117.98 119.51 2crw s PHE 50 Ca 0.21 0.21 0.00 0.00 0.12 0.00 0.00 56.93 57.47 2crw s PHE 50 Cb 0.05 -1.79 -0.05 0.00 -0.57 0.00 0.00 43.02 40.66 2crw s PHE 50 CO 0.11 0.49 0.10 -0.51 -0.10 0.00 0.00 175.22 175.31 2crw s LEU 51 N -0.95 1.50 0.08 -0.37 1.43 0.54 -1.13 118.68 119.77 2crw s LEU 51 Ca 0.14 -1.36 0.08 0.00 -1.03 0.00 0.00 54.13 51.95 2crw s LEU 51 Cb -0.11 0.16 -0.04 0.00 0.03 0.00 0.00 46.19 46.23 2crw s LEU 51 CO 0.03 -0.76 -0.16 0.00 0.23 0.00 0.00 176.35 175.69 2crw n ILE 53 N 1.14 -0.23 0.11 0.00 0.13 -1.26 0.56 119.36 119.81 2crw n ILE 53 Ca -0.15 1.25 -0.04 0.00 -1.10 0.00 0.00 62.75 62.70 2crw n ILE 53 Cb 0.52 -2.03 -0.02 0.00 -0.84 0.00 0.00 39.64 37.27 2crw n ILE 53 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 2crw h ASP 54 N 0.00 -0.23 0.44 9.51 5.19 -2.01 -3.13 116.42 126.18 2crw h ASP 54 Ca 0.55 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.95 2crw h ASP 54 Cb 1.60 0.06 0.00 0.00 0.18 0.00 0.00 39.33 41.17 2crw h ASP 54 CO -0.42 -0.14 -0.21 0.00 -3.12 0.00 0.00 179.24 175.36 2crw n SER 56 N -5.30 0.20 -0.10 0.00 3.41 0.19 0.20 113.62 112.22 2crw n SER 56 Ca -0.11 1.08 -0.06 0.00 -0.26 0.00 0.00 58.87 59.52 2crw n SER 56 Cb 0.28 -0.51 0.01 0.00 -0.26 0.00 0.00 64.21 63.73 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 0.44 0.26 5.00 0.00 -1.45 -1.77 103.07 105.55 2crw h GLY 57 Ca 0.54 -0.07 0.15 0.00 0.00 0.00 0.00 47.33 47.95 2crw h GLY 57 CO -0.51 0.02 0.49 1.76 0.00 0.00 0.00 176.54 178.30 2crw h SER 58 N 0.26 0.63 -0.25 0.19 0.02 0.21 -1.38 113.55 113.24 2crw h SER 58 Ca 0.16 0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 2crw h SER 58 Cb 0.14 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2crw h SER 58 CO -0.17 0.28 0.03 0.45 -1.14 0.00 0.00 176.83 176.27 2crw h HIS 59 N 0.70 0.45 -1.04 3.45 3.86 -1.33 -2.80 115.15 118.45 2crw h HIS 59 Ca 0.48 -0.07 0.27 0.00 -1.16 0.00 0.00 60.37 59.90 2crw h HIS 59 Cb 0.65 -0.12 -0.08 0.00 1.06 0.00 0.00 27.41 28.92 2crw h HIS 59 CO -0.06 0.55 0.69 0.00 0.86 0.00 0.00 177.93 179.97 2crw h ARG 60 N 0.21 0.27 -0.28 2.45 3.08 -0.42 0.11 114.38 119.80 2crw h ARG 60 Ca 0.07 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 2crw h ARG 60 Cb 0.36 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2crw h ARG 60 CO 0.01 0.18 -0.06 1.03 -1.07 0.00 0.00 179.97 180.06 2crw h SER 61 N 0.28 0.53 -0.61 7.04 0.87 -1.21 -3.23 113.55 117.22 2crw h SER 61 Ca 0.56 -0.36 0.09 0.00 -1.23 0.00 0.00 61.79 60.85 2crw h SER 61 Cb 1.64 -0.14 -0.11 0.00 -0.44 0.00 0.00 62.40 63.34 2crw h SER 61 CO -0.19 0.77 -0.45 -0.07 -0.53 0.00 0.00 176.83 176.36 2crw h LEU 62 N 0.29 -1.54 0.00 2.23 3.38 -0.73 -3.47 115.31 115.48 2crw h LEU 62 Ca 0.07 0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2crw h LEU 62 Cb 0.53 0.70 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2crw h LEU 62 CO 0.03 -0.33 0.00 0.61 0.09 0.00 0.00 178.44 178.83 2crw n GLY 63 N -1.40 4.03 0.53 0.83 0.00 -1.19 -4.76 105.19 103.23 2crw n GLY 63 Ca 0.02 -0.59 0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 0.05 0.14 1.61 -1.51 -1.80 1.76 116.25 116.49 2crw h VAL 64 Ca 0.00 0.00 -0.30 0.00 -1.23 0.00 0.00 66.70 65.17 2crw h VAL 64 Cb 0.00 0.08 0.02 0.00 -2.13 0.00 0.00 31.29 29.27 2crw h VAL 64 CO 0.00 0.00 -1.26 1.12 -1.23 0.00 0.00 177.57 176.20 2crw h HIS 65 N 0.00 0.89 0.01 5.19 -0.00 -1.98 -3.19 115.15 116.08 2crw h HIS 65 Ca 0.50 -0.58 -0.25 0.00 -0.00 0.00 0.00 60.37 60.04 2crw h HIS 65 Cb 2.79 -0.06 0.02 0.00 -0.00 0.00 0.00 27.41 30.16 2crw h HIS 65 CO 0.00 1.43 -0.98 1.25 -0.00 0.00 0.00 177.93 179.63 2crw h LEU 66 N 0.22 0.83 -6.02 6.12 6.46 0.22 -3.45 115.31 119.70 2crw h LEU 66 Ca -0.18 -0.75 0.07 0.00 -0.12 0.00 0.00 57.88 56.89 2crw h LEU 66 Cb 1.94 -0.26 -0.21 0.00 -0.73 0.00 0.00 40.66 41.40 2crw h LEU 66 CO 0.23 1.48 -0.30 -0.44 -0.62 0.00 0.00 178.44 178.80 2crw s SER 67 N -7.20 -1.35 -0.01 1.25 0.01 0.13 -4.89 113.70 101.64 2crw s SER 67 Ca -0.11 0.72 -0.24 0.00 1.31 0.00 0.00 55.95 57.64 2crw s SER 67 Cb 0.06 2.10 -0.05 0.00 0.21 0.00 0.00 66.02 68.34 2crw s SER 67 CO 0.90 -0.27 0.71 0.12 0.41 0.00 0.00 173.24 175.12 2crw s PHE 68 N 2.84 3.65 0.08 2.43 5.36 -1.21 -4.27 117.98 126.87 2crw s PHE 68 Ca 0.19 1.33 0.04 0.00 -0.96 0.00 0.00 56.93 57.53 2crw s PHE 68 Cb -0.14 -2.78 -0.04 0.00 -0.34 0.00 0.00 43.02 39.72 2crw s PHE 68 CO -0.22 0.20 0.00 0.42 -1.46 0.00 0.00 175.22 174.16 2crw s ILE 69 N 0.33 4.05 -0.30 3.12 -1.09 -1.26 -1.14 121.20 124.92 2crw s ILE 69 Ca 0.37 -0.93 -0.13 0.00 -2.23 0.00 0.00 60.65 57.72 2crw s ILE 69 Cb -0.19 -2.92 0.14 0.00 -1.58 0.00 0.00 42.46 37.91 2crw s ILE 69 CO 0.20 0.15 0.83 -0.13 -1.23 0.00 0.00 174.94 174.76 2crw s ARG 70 N -2.22 0.46 1.42 2.79 0.52 -0.72 -4.95 118.95 116.25 2crw s ARG 70 Ca 0.25 1.04 -0.23 0.00 -0.52 0.00 0.00 55.73 56.27 2crw s ARG 70 Cb -0.12 0.51 0.37 0.00 0.52 0.00 0.00 34.95 36.23 2crw s ARG 70 CO 0.18 -0.14 0.93 0.45 0.02 0.00 0.00 175.30 176.74 2crw s SER 71 N 2.36 -1.08 -0.03 0.23 0.15 -1.26 -2.89 113.70 111.19 2crw s SER 71 Ca -0.06 0.84 0.00 0.00 0.70 0.00 0.00 55.95 57.44 2crw s SER 71 Cb -0.08 -1.19 -0.02 0.00 -1.71 0.00 0.00 66.02 63.03 2crw s SER 71 CO -0.18 -5.37 -0.03 0.35 1.20 0.00 0.00 173.24 169.21 2crw n THR 72 N -5.64 0.16 0.06 6.45 -2.24 -1.25 -4.30 114.28 107.52 2crw n THR 72 Ca 0.13 -0.06 -0.21 0.00 -2.27 0.00 0.00 64.05 61.64 2crw n THR 72 Cb 0.60 -0.70 -0.14 0.00 -2.10 0.00 0.00 70.33 67.99 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 -0.01 0.41 0.07 -0.78 4.39 -1.95 -3.40 114.58 113.31 2crw h GLU 73 Ca -0.06 -0.62 -0.00 0.00 0.34 0.00 0.00 59.36 59.02 2crw h GLU 73 Cb 1.09 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2crw h GLU 73 CO -0.01 1.27 -0.03 -0.07 -1.16 0.00 0.00 179.01 179.01 2crw h LEU 74 N -0.14 -0.08 -9.62 1.33 3.38 -1.99 -3.45 115.31 104.75 2crw h LEU 74 Ca -0.16 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.29 2crw h LEU 74 Cb 1.71 0.02 0.05 0.00 0.09 0.00 0.00 40.66 42.53 2crw h LEU 74 CO 0.18 0.21 0.95 -1.81 0.09 0.00 0.00 178.44 178.06 2crw s ASP 75 N -4.38 6.49 0.00 -0.43 1.01 -1.26 -4.86 116.67 113.24 2crw s ASP 75 Ca -0.01 2.72 0.00 0.00 0.71 0.00 0.00 52.55 55.97 2crw s ASP 75 Cb 0.00 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.34 2crw s ASP 75 CO 0.04 -0.90 0.00 -1.54 0.21 0.00 0.00 175.17 172.98 2crw n SER 76 N 4.11 2.98 -1.91 0.27 3.41 -1.26 -4.50 113.62 116.72 2crw n SER 76 Ca 0.15 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.69 2crw n SER 76 Cb 0.37 0.42 -0.10 0.00 -0.26 0.00 0.00 64.21 64.64 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 -1.19 4.59 -4.18 4.04 3.02 -1.26 -4.67 115.26 115.61 2crw n ASN 77 Ca 0.00 -2.31 -0.29 0.00 -0.03 0.00 0.00 54.58 51.94 2crw n ASN 77 Cb 0.18 -1.16 0.21 0.00 -0.61 0.00 0.00 39.78 38.40 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 0.94 1.26 -0.19 3.10 0.52 -1.26 -5.05 118.94 118.26 2crw s TRP 78 Ca 0.40 0.63 -0.01 0.00 0.02 0.00 0.00 56.10 57.14 2crw s TRP 78 Cb 0.19 -3.48 0.00 0.00 -1.15 0.00 0.00 33.47 29.03 2crw s TRP 78 CO 0.00 -3.31 -0.13 -1.12 0.02 0.00 0.00 176.95 172.41 2crw s SER 79 N -3.93 3.71 0.30 2.95 0.01 -1.26 -4.49 113.70 110.99 2crw s SER 79 Ca 0.69 -0.51 0.20 0.00 1.31 0.00 0.00 55.95 57.65 2crw s SER 79 Cb -0.12 -1.60 1.05 0.00 0.21 0.00 0.00 66.02 65.56 2crw s SER 79 CO 0.56 0.01 1.15 0.79 0.41 0.00 0.00 173.24 176.15 2crw n TRP 80 N 4.57 0.66 0.01 2.43 5.03 -1.26 0.16 117.44 129.04 2crw n TRP 80 Ca -0.19 0.66 -0.13 0.00 3.03 0.00 0.00 57.50 60.87 2crw n TRP 80 Cb 0.51 -1.07 -0.09 0.00 -1.03 0.00 0.00 31.31 29.62 2crw n TRP 80 CO 0.00 0.00 0.00 0.35 -0.03 0.00 0.00 177.69 178.01 2crw h PHE 81 N 0.00 -0.08 -0.85 -5.99 3.57 -1.94 -3.00 116.94 108.65 2crw h PHE 81 Ca 0.64 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 62.22 2crw h PHE 81 Cb 1.90 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 40.61 2crw h PHE 81 CO -0.01 0.43 0.55 1.96 -2.23 0.00 0.00 178.31 179.01 2crw h GLN 82 N -0.66 0.84 0.39 1.11 4.20 0.11 -2.27 115.11 118.84 2crw h GLN 82 Ca -0.01 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2crw h GLN 82 Cb 0.55 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2crw h GLN 82 CO 0.02 0.56 -0.25 -0.07 -0.67 0.00 0.00 178.83 178.41 2crw h LEU 83 N 0.87 -0.63 -1.03 1.46 3.38 -0.96 -2.61 115.31 115.78 2crw h LEU 83 Ca 0.38 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.51 2crw h LEU 83 Cb 0.34 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 2crw h LEU 83 CO -0.15 -0.39 0.63 0.03 0.09 0.00 0.00 178.44 178.65 2crw h ARG 84 N -0.62 0.96 -1.06 1.13 2.47 -1.31 -0.72 114.38 115.23 2crw h ARG 84 Ca -0.04 -0.06 0.28 0.00 -1.26 0.00 0.00 59.98 58.90 2crw h ARG 84 Cb 0.51 -0.22 -0.09 0.00 -1.65 0.00 0.00 29.97 28.52 2crw h ARG 84 CO 0.04 0.63 0.69 0.00 0.56 0.00 0.00 179.97 181.89 2crw h MET 86 N 0.35 1.07 0.24 0.00 2.86 -1.09 -2.56 114.93 115.80 2crw h MET 86 Ca 0.61 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.96 2crw h MET 86 Cb 1.61 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.14 2crw h MET 86 CO -0.29 0.97 -0.11 1.96 1.06 0.00 0.00 176.91 180.50 2crw h GLN 87 N 0.99 -0.30 -1.75 1.72 4.20 -0.40 -2.66 115.11 116.90 2crw h GLN 87 Ca 0.20 0.02 0.51 0.00 0.06 0.00 0.00 58.65 59.45 2crw h GLN 87 Cb 0.41 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 28.18 2crw h GLN 87 CO 0.01 -0.20 1.25 -0.39 -0.67 0.00 0.00 178.83 178.82 2crw h VAL 88 N -0.71 0.10 0.00 -0.54 -1.51 -1.19 -3.35 116.25 109.05 2crw h VAL 88 Ca -0.03 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 2crw h VAL 88 Cb 0.24 0.09 0.00 0.00 -2.13 0.00 0.00 31.29 29.49 2crw h VAL 88 CO 0.05 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.00 2crw n GLY 89 N -1.85 0.29 0.00 5.19 0.00 -0.96 -4.99 105.19 102.87 2crw n GLY 89 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 4.92 2.27 0.07 -0.02 0.00 -0.34 -4.41 105.19 107.68 2crw n GLY 90 Ca 0.00 -1.82 -0.02 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.27 -0.52 1.61 4.21 -1.78 -2.54 115.58 116.28 2crw h ASN 91 Ca 0.00 0.04 0.05 0.00 1.21 0.00 0.00 56.30 57.59 2crw h ASN 91 Cb 0.00 0.11 -0.06 0.00 -1.12 0.00 0.00 38.32 37.25 2crw h ASN 91 CO 0.00 -0.06 -0.31 0.00 -1.29 0.00 0.00 177.43 175.78 2crw n ALA 92 N -2.77 -0.33 -0.12 -0.83 0.00 -1.26 -0.29 120.51 114.90 2crw n ALA 92 Ca -0.00 0.44 -0.03 0.00 0.00 0.00 0.00 53.44 53.85 2crw n ALA 92 Cb 0.05 0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 2crw n ALA 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2crw n SER 93 N -4.27 -0.31 -0.11 0.00 2.88 -0.96 0.90 113.62 111.74 2crw n SER 93 Ca 0.01 0.72 -0.12 0.00 -1.33 0.00 0.00 58.87 58.15 2crw n SER 93 Cb 0.14 -0.17 -0.03 0.00 -0.75 0.00 0.00 64.21 63.40 2crw n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2crw h ALA 94 N -0.05 0.46 -1.60 -1.46 0.00 -0.99 0.83 119.26 116.44 2crw h ALA 94 Ca 0.05 -0.30 0.50 0.00 0.00 0.00 0.00 54.91 55.15 2crw h ALA 94 Cb 0.12 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 17.69 2crw h ALA 94 CO -0.27 0.31 1.10 0.45 0.00 0.00 0.00 179.25 180.83 2crw n SER 95 N -4.42 0.10 -0.09 0.00 2.88 0.26 -1.74 113.62 110.61 2crw n SER 95 Ca -0.02 1.14 -0.19 0.00 -1.33 0.00 0.00 58.87 58.46 2crw n SER 95 Cb 0.34 -0.56 -0.06 0.00 -0.75 0.00 0.00 64.21 63.18 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 -4.23 1.39 -0.22 -3.46 2.88 -0.62 -4.44 113.62 104.92 2crw n SER 96 Ca 0.41 0.24 0.10 0.00 -1.33 0.00 0.00 58.87 58.29 2crw n SER 96 Cb 1.71 -0.57 0.20 0.00 -0.75 0.00 0.00 64.21 64.80 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 -3.90 0.43 0.46 0.66 -0.00 0.27 0.68 117.46 116.07 2crw n PHE 97 Ca -0.35 0.76 -0.19 0.00 -0.00 0.00 0.00 57.45 57.67 2crw n PHE 97 Cb 0.73 -0.99 -0.09 0.00 -0.00 0.00 0.00 39.48 39.12 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 -1.09 0.34 -5.13 -1.00 -1.62 -1.66 116.94 106.79 2crw h PHE 98 Ca 0.40 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.14 2crw h PHE 98 Cb 0.84 0.36 -0.01 0.00 3.61 0.00 0.00 35.95 40.75 2crw h PHE 98 CO -0.29 -0.67 -0.27 1.25 -1.61 0.00 0.00 178.31 176.72 2crw h HIS 99 N -1.26 -0.70 -0.80 -0.55 2.76 0.18 -1.64 115.15 113.15 2crw h HIS 99 Ca -0.12 -0.00 0.19 0.00 -2.20 0.00 0.00 60.37 58.24 2crw h HIS 99 Cb 0.91 0.26 -0.14 0.00 1.55 0.00 0.00 27.41 29.99 2crw h HIS 99 CO -0.00 -0.40 0.03 1.96 -1.30 0.00 0.00 177.93 178.22 2crw h GLN 100 N -0.61 0.11 0.81 5.26 1.08 -0.27 -2.03 115.11 119.45 2crw h GLN 100 Ca -0.03 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 2crw h GLN 100 Cb 0.53 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 27.95 2crw h GLN 100 CO -0.01 0.07 -0.39 0.45 -0.95 0.00 0.00 178.83 178.00 2crw h HIS 101 N 0.11 -1.01 0.00 2.96 3.86 -0.96 -3.47 115.15 116.64 2crw h HIS 101 Ca 0.45 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.63 2crw h HIS 101 Cb 0.82 0.33 0.00 0.00 1.06 0.00 0.00 27.41 29.62 2crw h HIS 101 CO -0.41 -0.63 0.00 0.41 0.86 0.00 0.00 177.93 178.16 2crw n GLY 102 N -1.41 0.00 2.75 2.45 0.00 -0.67 -5.11 105.19 103.20 2crw n GLY 102 Ca -0.13 0.00 -0.18 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 n SER 104 N 5.32 6.14 -4.69 0.00 7.64 -1.26 -3.67 113.62 123.09 2crw n SER 104 Ca -0.05 -3.77 -0.42 0.00 1.01 0.00 0.00 58.87 55.64 2crw n SER 104 Cb 0.49 -0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 63.03 2crw n SER 104 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2crw s THR 105 N -4.77 4.67 0.03 0.44 2.01 -1.26 -4.93 115.64 111.84 2crw s THR 105 Ca 0.56 1.94 0.10 0.00 0.31 0.00 0.00 61.69 64.60 2crw s THR 105 Cb 0.45 -4.25 -0.18 0.00 0.01 0.00 0.00 72.50 68.53 2crw s THR 105 CO -0.02 0.04 1.13 -0.55 -0.69 0.00 0.00 174.62 174.53 2crw h ASN 106 N 7.09 0.00 -1.97 3.53 7.08 -1.99 -3.42 115.58 125.90 2crw h ASN 106 Ca -0.34 0.00 -0.42 0.00 -3.08 0.00 0.00 56.30 52.46 2crw h ASN 106 Cb 1.17 0.00 0.22 0.00 -2.08 0.00 0.00 38.32 37.63 2crw h ASN 106 CO 0.84 0.92 -1.30 0.47 -2.08 0.00 0.00 177.43 176.27 2crw n ASP 107 N -3.24 -2.59 -0.06 6.14 8.00 -1.26 -4.90 116.55 118.65 2crw n ASP 107 Ca -0.04 -0.15 -0.10 0.00 0.71 0.00 0.00 54.79 55.21 2crw n ASP 107 Cb 0.94 -0.83 -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 0.41 -0.39 0.00 0.00 177.20 177.22 2crw n THR 108 N -4.25 0.67 1.01 -3.53 -1.04 -1.26 -3.60 114.28 102.29 2crw n THR 108 Ca 0.01 -0.22 0.12 0.00 -2.04 0.00 0.00 64.05 61.92 2crw n THR 108 Cb 0.61 -1.20 0.59 0.00 -1.82 0.00 0.00 70.33 68.51 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 -3.11 0.00 -0.03 8.00 2.85 -1.26 -2.93 115.26 118.78 2crw n ASN 109 Ca -0.22 0.28 -0.08 0.00 -0.11 0.00 0.00 54.58 54.44 2crw n ASN 109 Cb 0.70 -0.42 -0.03 0.00 1.24 0.00 0.00 39.78 41.28 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 -1.42 2.17 -0.21 5.20 0.00 -1.26 -4.05 120.51 120.94 2crw n ALA 110 Ca 0.09 -0.41 0.02 0.00 0.00 0.00 0.00 53.44 53.14 2crw n ALA 110 Cb 0.26 0.25 0.12 0.00 0.00 0.00 0.00 19.45 20.09 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 -0.42 0.22 0.00 0.00 3.64 -1.70 0.15 116.57 118.46 2crw h LYS 111 Ca -0.15 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.16 2crw h LYS 111 Cb 0.83 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 2crw h LYS 111 CO -0.09 0.15 -0.30 1.88 -2.27 0.00 0.00 179.45 178.82 2crw h TYR 112 N 0.23 0.00 -0.25 1.91 0.05 -1.76 -3.04 116.97 114.11 2crw h TYR 112 Ca 0.34 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.11 2crw h TYR 112 Cb 0.54 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.27 2crw h TYR 112 CO -0.28 0.30 0.01 0.09 -1.05 0.00 0.00 178.16 177.23 2crw n ASN 113 N -3.27 3.02 -4.98 3.88 3.02 0.45 -4.50 115.26 112.89 2crw n ASN 113 Ca 0.02 -2.41 -0.18 0.00 -0.03 0.00 0.00 54.58 51.98 2crw n ASN 113 Cb 0.57 -0.58 -0.00 0.00 -0.61 0.00 0.00 39.78 39.16 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 -0.31 5.51 0.04 6.41 1.04 -0.78 -4.95 113.70 120.66 2crw s SER 114 Ca 0.23 -0.50 -0.24 0.00 0.48 0.00 0.00 55.95 55.92 2crw s SER 114 Cb 0.18 -0.65 -0.17 0.00 0.10 0.00 0.00 66.02 65.48 2crw s SER 114 CO 0.07 -0.73 1.52 -0.09 0.98 0.00 0.00 173.24 174.99 2crw h ARG 115 N 0.74 0.03 -0.87 4.02 9.65 -1.90 -2.76 114.38 123.29 2crw h ARG 115 Ca -0.40 -0.01 0.21 0.00 -1.10 0.00 0.00 59.98 58.68 2crw h ARG 115 Cb 1.28 -0.00 -0.12 0.00 -1.39 0.00 0.00 29.97 29.73 2crw h ARG 115 CO 0.48 0.24 0.35 0.00 2.80 0.00 0.00 179.97 183.85 2crw h ALA 116 N 0.78 1.35 0.27 2.80 0.00 -1.95 -0.97 119.26 121.55 2crw h ALA 116 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2crw h ALA 116 Cb 0.23 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2crw h ALA 116 CO 0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 179.25 178.78 2crw h ALA 117 N 1.70 -0.37 -0.03 0.00 0.00 -1.75 -2.88 119.26 115.92 2crw h ALA 117 Ca 0.54 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.35 2crw h ALA 117 Cb 1.00 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 2crw h ALA 117 CO -0.53 -0.66 -0.43 1.96 0.00 0.00 0.00 179.25 179.59 2crw h GLN 118 N -0.47 -0.50 -1.00 0.00 4.20 -0.92 -0.56 115.11 115.87 2crw h GLN 118 Ca -0.04 0.03 0.36 0.00 0.06 0.00 0.00 58.65 59.07 2crw h GLN 118 Cb 0.35 0.11 -0.16 0.00 0.30 0.00 0.00 27.48 28.08 2crw h GLN 118 CO 0.06 -0.33 0.52 -0.07 -0.67 0.00 0.00 178.83 178.34 2crw h LEU 119 N -0.52 0.37 0.72 1.46 3.38 -1.37 -0.58 115.31 118.77 2crw h LEU 119 Ca 0.01 0.23 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 2crw h LEU 119 Cb 0.57 0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.54 2crw h LEU 119 CO -0.31 -0.28 -0.34 0.22 0.09 0.00 0.00 178.44 177.82 2crw h TYR 120 N 0.16 -0.89 -0.34 1.13 3.20 -0.90 -2.01 116.97 117.33 2crw h TYR 120 Ca 0.77 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.65 2crw h TYR 120 Cb 1.89 0.30 -0.04 0.00 1.54 0.00 0.00 36.73 40.41 2crw h TYR 120 CO -0.04 -0.56 -0.20 0.54 -1.64 0.00 0.00 178.16 176.27 2crw n ARG 121 N -4.73 -0.15 -0.17 1.82 1.74 -0.25 -0.28 116.66 114.65 2crw n ARG 121 Ca -0.12 1.03 -0.04 0.00 -0.77 0.00 0.00 57.85 57.96 2crw n ARG 121 Cb 0.38 -1.53 0.03 0.00 -1.02 0.00 0.00 32.46 30.32 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 -0.08 -0.87 5.56 4.39 -1.56 0.36 114.58 122.38 2crw h GLU 122 Ca 0.05 0.01 0.22 0.00 0.34 0.00 0.00 59.36 59.98 2crw h GLU 122 Cb 0.14 0.02 -0.13 0.00 -0.10 0.00 0.00 28.75 28.68 2crw h GLU 122 CO -0.32 -0.05 0.30 -0.22 -1.16 0.00 0.00 179.01 177.57 2crw h LYS 123 N -0.08 0.30 -0.67 2.33 3.64 0.15 0.20 116.57 122.43 2crw h LYS 123 Ca 0.24 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.66 2crw h LYS 123 Cb 0.46 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.16 2crw h LYS 123 CO -0.58 0.20 0.37 0.82 -2.27 0.00 0.00 179.45 177.99 2crw h ILE 124 N 0.31 0.97 -0.67 2.00 1.08 0.73 -0.87 117.51 121.05 2crw h ILE 124 Ca 0.54 -0.24 -0.02 0.00 -0.39 0.00 0.00 64.86 64.75 2crw h ILE 124 Cb 1.03 0.22 -0.03 0.00 -3.07 0.00 0.00 36.82 34.98 2crw h ILE 124 CO -0.57 0.13 0.34 0.50 -0.69 0.00 0.00 178.15 177.86 2crw h LYS 125 N 0.69 0.94 0.33 2.37 3.64 -0.41 -0.37 116.57 123.74 2crw h LYS 125 Ca 0.30 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 2crw h LYS 125 Cb 0.18 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2crw h LYS 125 CO -0.18 0.71 -0.16 1.03 -2.27 0.00 0.00 179.45 178.58 2crw h SER 126 N 0.94 -0.37 0.70 4.20 0.87 -0.60 -2.77 113.55 116.52 2crw h SER 126 Ca 0.24 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 2crw h SER 126 Cb 0.06 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2crw h SER 126 CO -0.03 -0.01 -0.44 -0.07 -0.53 0.00 0.00 176.83 175.75 2crw h LEU 127 N -0.78 -1.11 -1.00 2.23 3.38 -1.09 -2.76 115.31 114.17 2crw h LEU 127 Ca -0.04 0.06 0.29 0.00 0.09 0.00 0.00 57.88 58.28 2crw h LEU 127 Cb 0.51 0.32 -0.19 0.00 0.09 0.00 0.00 40.66 41.40 2crw h LEU 127 CO 0.07 -0.67 0.08 0.00 0.09 0.00 0.00 178.44 178.02 2crw h ALA 128 N -1.26 1.29 -1.00 1.53 0.00 -1.17 1.12 119.26 119.77 2crw h ALA 128 Ca -0.09 0.34 0.18 0.00 0.00 0.00 0.00 54.91 55.34 2crw h ALA 128 Cb 0.86 0.58 -0.10 0.00 0.00 0.00 0.00 17.79 19.12 2crw h ALA 128 CO 0.09 -0.62 0.62 1.03 0.00 0.00 0.00 179.25 180.36 2crw h SER 129 N 0.00 0.79 0.64 0.00 0.87 -1.19 0.24 113.55 114.89 2crw h SER 129 Ca 0.63 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 61.25 2crw h SER 129 Cb 1.36 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 63.27 2crw h SER 129 CO -0.92 0.30 -0.31 1.56 -0.53 0.00 0.00 176.83 176.93 2crw h GLN 130 N 0.78 -0.82 -0.16 2.24 1.08 0.14 0.25 115.11 118.60 2crw h GLN 130 Ca 0.56 0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.78 2crw h GLN 130 Cb 0.87 0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.47 2crw h GLN 130 CO -0.36 -0.55 -0.06 0.00 -0.95 0.00 0.00 178.83 176.91 2crw h ALA 131 N -0.48 1.60 -0.02 3.87 0.00 -1.24 0.46 119.26 123.44 2crw h ALA 131 Ca -0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2crw h ALA 131 Cb 0.66 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2crw h ALA 131 CO 0.14 0.30 -0.02 1.15 0.00 0.00 0.00 179.25 180.82 2crw h THR 132 N 0.23 1.38 -0.07 0.00 2.02 -0.25 -3.26 112.91 112.97 2crw h THR 132 Ca 0.05 -1.18 -0.18 0.00 0.77 0.00 0.00 66.41 65.87 2crw h THR 132 Cb 0.27 2.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 2crw h THR 132 CO 0.01 0.31 -0.74 0.08 0.37 0.00 0.00 175.52 175.56 2crw h ARG 133 N -0.41 0.37 -0.72 6.66 0.11 -0.33 -1.58 114.38 118.47 2crw h ARG 133 Ca 0.00 -0.31 0.07 0.00 0.10 0.00 0.00 59.98 59.85 2crw h ARG 133 Cb 0.52 0.07 -0.09 0.00 1.11 0.00 0.00 29.97 31.57 2crw h ARG 133 CO 0.01 0.95 -0.40 1.17 0.10 0.00 0.00 179.97 181.80 2crw n LYS 134 N -3.82 -0.29 0.00 0.08 0.00 0.16 -4.25 118.16 110.04 2crw n LYS 134 Ca -0.04 1.10 0.00 0.00 0.00 0.00 0.00 58.31 59.36 2crw n LYS 134 Cb 0.71 -1.61 0.00 0.00 0.00 0.00 0.00 35.03 34.13 2crw n LYS 134 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2crw n HIS 135 N -4.94 0.00 -0.14 5.64 8.25 -1.25 -5.10 115.22 117.69 2crw n HIS 135 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2crw n HIS 135 Cb 0.21 0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.50 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 2.09 1.05 0.46 -1.41 0.00 -0.59 -4.39 105.19 102.41 2crw n GLY 136 Ca 0.00 -1.55 0.36 0.00 0.00 0.00 0.00 46.02 44.83 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 0.13 -3.67 2.61 1.35 -1.93 -3.39 112.91 108.00 2crw h THR 137 Ca 0.00 -0.03 -0.52 0.00 -0.55 0.00 0.00 66.41 65.31 2crw h THR 137 Cb 0.00 0.03 0.05 0.00 -1.73 0.00 0.00 68.15 66.50 2crw h THR 137 CO 0.00 0.02 0.65 -0.62 -0.25 0.00 0.00 175.52 175.32 2crw s ASP 138 N -4.51 6.81 -0.93 5.36 -1.08 -1.26 -4.92 116.67 116.14 2crw s ASP 138 Ca -0.08 2.59 -0.24 0.00 -0.52 0.00 0.00 52.55 54.31 2crw s ASP 138 Cb 0.30 -2.63 0.02 0.00 -1.46 0.00 0.00 42.92 39.15 2crw s ASP 138 CO 0.82 -0.54 1.54 -0.76 0.52 0.00 0.00 175.17 176.75 2crw s LEU 139 N -1.14 3.37 0.26 -1.34 2.01 -1.26 -4.80 118.68 115.78 2crw s LEU 139 Ca 0.52 -1.04 0.11 0.00 0.01 0.00 0.00 54.13 53.73 2crw s LEU 139 Cb -0.39 -2.56 0.85 0.00 0.01 0.00 0.00 46.19 44.10 2crw s LEU 139 CO 0.47 -1.84 1.15 -2.67 1.01 0.00 0.00 176.35 174.46 2crw n TRP 140 N 10.13 0.74 -0.94 0.29 2.14 -1.26 -4.45 117.44 124.08 2crw n TRP 140 Ca 0.29 0.86 -0.43 0.00 2.07 0.00 0.00 57.50 60.29 2crw n TRP 140 Cb 0.50 -1.21 -0.09 0.00 -0.81 0.00 0.00 31.31 29.70 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 -4.75 0.52 -4.38 5.67 4.32 -1.26 -4.73 117.00 112.39 2crw n LEU 141 Ca 0.24 0.47 -0.42 0.00 -0.02 0.00 0.00 56.01 56.28 2crw n LEU 141 Cb 0.83 -0.67 0.00 0.00 -1.62 0.00 0.00 43.42 41.96 2crw n LEU 141 CO -0.01 -0.56 -0.15 -0.90 -1.22 0.00 0.00 177.39 174.54 2crw n ASP 142 N 5.74 -1.75 -4.68 -1.43 5.68 -1.26 -4.81 116.55 114.03 2crw n ASP 142 Ca 0.41 0.88 -0.42 0.00 -0.50 0.00 0.00 54.79 55.17 2crw n ASP 142 Cb -0.02 -1.00 -0.03 0.00 -1.14 0.00 0.00 41.12 38.93 2crw n ASP 142 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2crw s SER 143 N -0.97 6.75 -0.23 -1.12 0.01 -1.26 -4.92 113.70 111.95 2crw s SER 143 Ca 0.62 2.25 -0.17 0.00 1.31 0.00 0.00 55.95 59.95 2crw s SER 143 Cb -0.64 -2.56 -0.14 0.00 0.21 0.00 0.00 66.02 62.89 2crw s SER 143 CO 0.60 -0.80 -0.10 -0.24 0.41 0.00 0.00 173.24 173.11 2crw n SER 144 N 5.66 1.90 0.00 2.44 2.88 -1.26 -5.06 113.62 120.18 2crw n SER 144 Ca 0.15 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 2crw n SER 144 Cb 0.42 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.00 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 1.37 2.33 3.56 0.46 0.00 -1.26 -5.04 105.19 106.61 2crw n GLY 145 Ca -0.39 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.05 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 1.39 2.55 0.09 1.61 0.04 -1.26 -4.95 135.00 134.47 2crw s PRO 146 Ca 0.00 -0.28 -0.30 0.00 0.04 0.00 0.00 61.00 60.45 2crw s PRO 146 Cb 0.00 -5.06 -0.06 0.00 0.04 0.00 0.00 34.50 29.42 2crw s PRO 146 CO 0.00 -3.39 1.21 0.45 0.04 0.00 0.00 177.00 175.31 2crw s SER 147 N 8.06 7.07 0.25 6.66 0.15 -1.26 -5.02 113.70 129.61 2crw s SER 147 Ca 0.70 2.08 -0.06 0.00 0.70 0.00 0.00 55.95 59.37 2crw s SER 147 Cb -0.07 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.64 2crw s SER 147 CO -0.01 -0.45 0.35 -0.44 1.20 0.00 0.00 173.24 173.89 2crw s SER 148 N 0.85 0.21 0.00 5.45 0.01 -1.26 -5.19 113.70 113.77 2crw s SER 148 Ca 0.58 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 56.63 2crw s SER 148 Cb -0.31 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.45 2crw s SER 148 CO 0.31 -1.06 0.00 0.61 0.41 0.00 0.00 173.24 173.51