#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w3m n GLY 2 N 0.00 -0.87 3.46 2.92 0.00 -1.26 -4.93 105.19 104.51 2w3m n GLY 2 Ca 0.00 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 2w3m n GLY 2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2w3m s SER 3 N -2.79 -0.56 0.13 1.61 0.15 -1.26 -4.12 113.70 106.85 2w3m s SER 3 Ca 0.15 0.68 0.07 0.00 0.70 0.00 0.00 55.95 57.55 2w3m s SER 3 Cb 0.18 0.62 -0.04 0.00 -1.71 0.00 0.00 66.02 65.07 2w3m s SER 3 CO 0.66 -0.51 -0.15 -0.76 1.20 0.00 0.00 173.24 173.68 2w3m s LEU 4 N -0.96 2.40 -0.03 3.45 1.43 -1.02 -4.64 118.68 119.31 2w3m s LEU 4 Ca -0.10 -0.81 0.07 0.00 -1.03 0.00 0.00 54.13 52.27 2w3m s LEU 4 Cb -0.02 -0.63 -0.02 0.00 0.03 0.00 0.00 46.19 45.56 2w3m s LEU 4 CO 0.07 -0.11 -0.25 0.20 0.23 0.00 0.00 176.35 176.50 2w3m s ASN 5 N -2.44 2.97 0.04 2.29 0.01 -0.67 -2.13 114.94 115.00 2w3m s ASN 5 Ca 0.10 -0.47 0.04 0.00 -0.71 0.00 0.00 52.86 51.82 2w3m s ASN 5 Cb -0.06 -0.46 -0.04 0.00 0.41 0.00 0.00 41.25 41.11 2w3m s ASN 5 CO 0.04 0.29 -0.06 0.00 -1.51 0.00 0.00 177.10 175.86 2w3m s ILE 7 N -1.10 0.38 0.02 0.00 2.07 -0.89 -0.75 121.20 120.92 2w3m s ILE 7 Ca 0.20 -0.15 -0.26 0.00 -1.41 0.00 0.00 60.65 59.03 2w3m s ILE 7 Cb -0.11 -0.36 0.06 0.00 0.13 0.00 0.00 42.46 42.18 2w3m s ILE 7 CO 0.11 0.13 0.59 0.54 -1.91 0.00 0.00 174.94 174.40 2w3m s VAL 8 N 0.21 0.01 -0.06 4.00 0.11 -0.66 -4.59 120.40 119.42 2w3m s VAL 8 Ca -0.02 -0.11 0.05 0.00 -2.93 0.00 0.00 61.98 58.96 2w3m s VAL 8 Cb -0.06 -0.97 -0.01 0.00 -1.53 0.00 0.00 36.38 33.81 2w3m s VAL 8 CO -0.00 -0.06 -0.21 0.00 -3.33 0.00 0.00 175.10 171.49 2w3m s ALA 9 N -2.00 2.32 -0.03 1.54 0.00 -1.26 -1.20 121.76 121.12 2w3m s ALA 9 Ca -0.07 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 2w3m s ALA 9 Cb -0.01 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.34 2w3m s ALA 9 CO 0.02 0.43 0.08 0.08 0.00 0.00 0.00 175.76 176.37 2w3m s VAL 10 N -0.22 -0.03 0.89 0.00 1.01 -0.39 -4.64 120.40 117.02 2w3m s VAL 10 Ca -0.01 0.10 -0.13 0.00 0.00 0.00 0.00 61.98 61.94 2w3m s VAL 10 Cb -0.13 -0.13 0.13 0.00 0.00 0.00 0.00 36.38 36.24 2w3m s VAL 10 CO 0.03 0.04 1.17 -0.94 0.00 0.00 0.00 175.10 175.40 2w3m s SER 11 N 0.57 3.74 0.44 3.32 1.04 -0.63 -0.80 113.70 121.37 2w3m s SER 11 Ca -0.04 0.82 0.10 0.00 0.48 0.00 0.00 55.95 57.31 2w3m s SER 11 Cb -0.06 -1.31 0.98 0.00 0.10 0.00 0.00 66.02 65.73 2w3m s SER 11 CO -0.02 -2.39 2.07 1.56 0.98 0.00 0.00 173.24 175.44 2w3m h GLN 12 N -1.39 0.39 -0.71 4.02 4.20 -0.89 -0.53 115.11 120.20 2w3m h GLN 12 Ca -0.48 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.20 2w3m h GLN 12 Cb 1.32 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.01 2w3m h GLN 12 CO 0.60 0.26 0.00 0.27 -0.67 0.00 0.00 178.83 179.29 2w3m n ASN 13 N -4.49 2.26 -0.67 1.46 6.94 -1.26 -4.90 115.26 114.60 2w3m n ASN 13 Ca 0.02 -2.23 -0.09 0.00 -0.02 0.00 0.00 54.58 52.26 2w3m n ASN 13 Cb 0.10 -0.46 -0.04 0.00 -2.36 0.00 0.00 39.78 37.02 2w3m n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 2w3m n MET 14 N 0.21 -0.88 -2.51 -3.83 2.81 -0.21 -4.99 117.12 107.72 2w3m n MET 14 Ca 0.09 0.76 -0.40 0.00 -1.81 0.00 0.00 57.70 56.33 2w3m n MET 14 Cb 0.48 -4.71 -0.05 0.00 -0.71 0.00 0.00 33.22 28.23 2w3m n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2w3m s GLY 15 N -2.66 3.07 0.00 3.03 0.00 -1.26 -0.84 107.32 108.66 2w3m s GLY 15 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 44.72 45.58 2w3m s GLY 15 CO 0.00 1.46 0.00 0.29 0.00 0.00 0.00 173.10 174.85 2w3m n ILE 16 N 1.25 0.00 -3.74 0.90 -5.35 0.24 -1.61 119.36 111.05 2w3m n ILE 16 Ca -0.01 -0.13 -0.11 0.00 -0.27 0.00 0.00 62.75 62.22 2w3m n ILE 16 Cb 0.45 0.60 -0.07 0.00 -1.74 0.00 0.00 39.64 38.88 2w3m n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2w3m s GLY 17 N -1.34 -0.13 -0.19 3.28 0.00 -1.09 -4.44 107.32 103.41 2w3m s GLY 17 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 44.72 44.63 2w3m s GLY 17 CO 0.00 -0.23 0.43 1.25 0.00 0.00 0.00 173.10 174.54 2w3m s LYS 18 N -2.72 0.36 -1.54 2.90 2.47 0.18 -0.89 119.74 120.49 2w3m s LYS 18 Ca -0.04 0.95 -0.12 0.00 -1.56 0.00 0.00 55.97 55.20 2w3m s LYS 18 Cb -0.00 0.20 0.09 0.00 -1.46 0.00 0.00 37.83 36.65 2w3m s LYS 18 CO -0.04 -0.21 0.86 0.09 0.16 0.00 0.00 175.35 176.20 2w3m n ASN 19 N 4.93 -3.66 -0.08 1.43 3.02 -1.26 -1.66 115.26 117.97 2w3m n ASN 19 Ca -0.14 -0.86 -0.01 0.00 -0.03 0.00 0.00 54.58 53.53 2w3m n ASN 19 Cb 0.52 -3.56 -0.00 0.00 -0.61 0.00 0.00 39.78 36.13 2w3m n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2w3m n GLY 20 N -1.64 0.48 0.68 7.41 0.00 -1.26 -5.00 105.19 105.87 2w3m n GLY 20 Ca -0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.72 2w3m n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2w3m n ASP 21 N 0.25 -0.20 -4.84 1.61 -0.08 -0.67 -4.65 116.55 107.98 2w3m n ASP 21 Ca -0.01 -1.43 -0.32 0.00 -1.51 0.00 0.00 54.79 51.52 2w3m n ASP 21 Cb 0.10 0.42 -0.05 0.00 2.34 0.00 0.00 41.12 43.93 2w3m n ASP 21 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2w3m s LEU 22 N 0.00 3.81 0.50 -2.67 1.43 -1.26 -0.65 118.68 119.84 2w3m s LEU 22 Ca 0.07 1.52 0.29 0.00 -1.03 0.00 0.00 54.13 54.98 2w3m s LEU 22 Cb 0.00 -4.40 0.98 0.00 0.03 0.00 0.00 46.19 42.80 2w3m s LEU 22 CO 0.05 -0.44 1.84 -0.65 0.23 0.00 0.00 176.35 177.39 2w3m h PRO 23 N 1.46 0.00 -6.18 1.29 0.11 -1.84 -3.41 132.00 123.44 2w3m h PRO 23 Ca -0.48 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.09 2w3m h PRO 23 Cb 1.18 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.21 2w3m h PRO 23 CO 0.62 0.05 -0.59 1.67 -0.21 0.00 0.00 178.00 179.54 2w3m s TRP 24 N -3.52 2.79 0.84 0.65 -2.14 -1.26 -4.77 118.94 111.54 2w3m s TRP 24 Ca 0.03 -0.23 -0.11 0.00 2.66 0.00 0.00 56.10 58.44 2w3m s TRP 24 Cb 0.08 -1.34 0.10 0.00 -3.10 0.00 0.00 33.47 29.21 2w3m s TRP 24 CO 0.60 0.53 1.15 -2.14 -2.66 0.00 0.00 176.95 174.43 2w3m s PRO 25 N -3.75 1.52 0.18 3.25 0.02 -1.26 -4.91 135.00 130.05 2w3m s PRO 25 Ca 0.33 1.52 -0.32 0.00 0.02 0.00 0.00 61.00 62.56 2w3m s PRO 25 Cb -0.06 -1.79 -0.11 0.00 0.02 0.00 0.00 34.50 32.57 2w3m s PRO 25 CO 0.22 -2.26 1.60 -2.14 -0.33 0.00 0.00 177.00 174.09 2w3m s PRO 26 N -4.54 4.19 -0.39 5.54 0.02 -1.26 -4.97 135.00 133.59 2w3m s PRO 26 Ca 0.67 2.43 -0.07 0.00 0.02 0.00 0.00 61.00 64.06 2w3m s PRO 26 Cb -0.23 -3.13 0.08 0.00 0.02 0.00 0.00 34.50 31.24 2w3m s PRO 26 CO 0.55 -0.64 0.20 -0.51 -0.33 0.00 0.00 177.00 176.27 2w3m s LEU 27 N 1.06 4.94 0.09 -5.54 1.43 -1.26 -5.00 118.68 114.40 2w3m s LEU 27 Ca 0.71 -1.55 -0.18 0.00 -1.03 0.00 0.00 54.13 52.08 2w3m s LEU 27 Cb -0.45 -1.91 -0.07 0.00 0.03 0.00 0.00 46.19 43.79 2w3m s LEU 27 CO 0.32 -0.48 1.55 0.03 0.23 0.00 0.00 176.35 178.00 2w3m h ARG 28 N 8.26 0.47 -0.05 1.70 -0.00 -1.98 -1.64 114.38 121.14 2w3m h ARG 28 Ca -0.21 -0.14 -0.10 0.00 -0.50 0.00 0.00 59.98 59.04 2w3m h ARG 28 Cb 1.07 -0.05 -0.01 0.00 0.00 0.00 0.00 29.97 30.98 2w3m h ARG 28 CO 0.70 0.60 -0.45 -0.91 0.00 0.00 0.00 179.97 179.92 2w3m h ASN 29 N 0.27 0.12 -0.39 7.04 2.35 -1.98 -1.04 115.58 121.94 2w3m h ASN 29 Ca 0.08 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 2w3m h ASN 29 Cb 0.37 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 2w3m h ASN 29 CO 0.01 0.55 0.13 -0.08 -1.65 0.00 0.00 177.43 176.39 2w3m h GLU 30 N 0.09 0.61 -0.68 0.81 4.22 -1.90 -0.79 114.58 116.94 2w3m h GLU 30 Ca 0.01 -0.13 0.01 0.00 0.08 0.00 0.00 59.36 59.33 2w3m h GLU 30 Cb 0.83 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 2w3m h GLU 30 CO 0.06 0.60 0.45 0.74 -2.18 0.00 0.00 179.01 178.68 2w3m h PHE 31 N 0.49 0.84 -0.27 0.92 0.04 -1.14 -1.84 116.94 115.98 2w3m h PHE 31 Ca 0.13 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.89 2w3m h PHE 31 Cb 0.25 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 2w3m h PHE 31 CO 0.01 0.52 0.06 0.00 -0.60 0.00 0.00 178.31 178.30 2w3m h ARG 32 N 0.90 0.39 -0.20 1.51 3.08 -0.98 0.05 114.38 119.12 2w3m h ARG 32 Ca 0.26 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 2w3m h ARG 32 Cb -0.07 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 2w3m h ARG 32 CO -0.07 0.36 0.03 -0.92 -1.07 0.00 0.00 179.97 178.31 2w3m h TYR 33 N 0.38 0.35 -0.57 3.04 3.20 -0.63 -0.09 116.97 122.65 2w3m h TYR 33 Ca 0.09 -0.05 0.07 0.00 3.14 0.00 0.00 58.73 61.99 2w3m h TYR 33 Cb 0.16 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.27 2w3m h TYR 33 CO 0.00 0.47 0.25 0.35 -1.64 0.00 0.00 178.16 177.59 2w3m h PHE 34 N 0.12 0.45 -0.46 -3.82 3.57 -0.86 -0.68 116.94 115.27 2w3m h PHE 34 Ca 0.06 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2w3m h PHE 34 Cb 0.31 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2w3m h PHE 34 CO 0.02 0.17 0.20 0.37 -2.23 0.00 0.00 178.31 176.84 2w3m h GLN 35 N 0.47 0.69 0.27 1.11 4.15 -0.87 -1.72 115.11 119.21 2w3m h GLN 35 Ca 0.27 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 2w3m h GLN 35 Cb 0.26 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.83 2w3m h GLN 35 CO -0.23 0.61 -0.13 -0.09 -1.93 0.00 0.00 178.83 177.06 2w3m h ARG 36 N 0.61 -0.35 -0.16 1.69 2.43 -0.65 -0.91 114.38 117.03 2w3m h ARG 36 Ca 0.16 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.38 2w3m h ARG 36 Cb 0.17 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2w3m h ARG 36 CO -0.02 -0.18 0.00 0.52 -1.51 0.00 0.00 179.97 178.79 2w3m h MET 37 N -0.44 0.06 0.00 0.20 2.86 -1.11 -1.72 114.93 114.77 2w3m h MET 37 Ca -0.04 -0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.48 2w3m h MET 37 Cb 0.33 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 2w3m h MET 37 CO 0.06 0.04 -0.57 1.79 1.06 0.00 0.00 176.91 179.29 2w3m h THR 38 N 0.06 1.20 0.05 2.22 1.35 -1.30 -3.34 112.91 113.14 2w3m h THR 38 Ca 0.07 -2.12 -0.34 0.00 -0.55 0.00 0.00 66.41 63.48 2w3m h THR 38 Cb 0.09 2.21 -0.04 0.00 -1.73 0.00 0.00 68.15 68.68 2w3m h THR 38 CO -0.12 0.56 -1.98 0.41 -0.25 0.00 0.00 175.52 174.14 2w3m n THR 39 N -3.55 1.64 -2.00 6.82 -1.04 -0.35 -4.71 114.28 111.09 2w3m n THR 39 Ca -0.00 -0.73 -0.42 0.00 -2.04 0.00 0.00 64.05 60.86 2w3m n THR 39 Cb 0.64 -1.28 -0.03 0.00 -1.82 0.00 0.00 70.33 67.85 2w3m n THR 39 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2w3m s THR 40 N -2.56 3.53 -0.04 12.58 2.01 -0.66 -4.64 115.64 125.86 2w3m s THR 40 Ca -0.15 0.68 -0.01 0.00 0.31 0.00 0.00 61.69 62.52 2w3m s THR 40 Cb 0.07 -3.44 0.03 0.00 0.01 0.00 0.00 72.50 69.17 2w3m s THR 40 CO 0.78 -0.05 0.04 -0.55 -0.69 0.00 0.00 174.62 174.15 2w3m s SER 41 N 3.25 0.90 0.00 3.53 0.15 -1.26 -4.94 113.70 115.33 2w3m s SER 41 Ca 0.74 0.05 0.13 0.00 0.70 0.00 0.00 55.95 57.56 2w3m s SER 41 Cb -0.34 -0.16 0.43 0.00 -1.71 0.00 0.00 66.02 64.23 2w3m s SER 41 CO 0.30 -0.21 1.33 -1.54 1.20 0.00 0.00 173.24 174.33 2w3m n SER 42 N 4.96 1.74 -4.49 5.45 3.41 -1.26 -4.84 113.62 118.59 2w3m n SER 42 Ca -0.11 -1.92 -0.43 0.00 -0.26 0.00 0.00 58.87 56.16 2w3m n SER 42 Cb 0.50 -0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 64.20 2w3m n SER 42 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2w3m s VAL 43 N -1.62 4.80 0.28 -3.33 1.01 -1.26 -5.02 120.40 115.26 2w3m s VAL 43 Ca 0.25 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 2w3m s VAL 43 Cb 0.13 -4.29 -0.12 0.00 0.00 0.00 0.00 36.38 32.10 2w3m s VAL 43 CO 0.18 -0.75 1.55 1.21 0.00 0.00 0.00 175.10 177.29 2w3m n GLU 44 N 6.36 2.54 -0.05 2.72 2.13 -1.26 -2.30 120.64 130.79 2w3m n GLU 44 Ca -0.03 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.69 2w3m n GLU 44 Cb 0.47 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.52 2w3m n GLU 44 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2w3m n GLY 45 N 2.18 1.02 3.49 8.31 0.00 -1.26 -5.04 105.19 113.89 2w3m n GLY 45 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 2w3m n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2w3m s LYS 46 N -0.64 1.77 0.16 1.61 1.02 -0.97 -4.73 119.74 117.96 2w3m s LYS 46 Ca 0.00 -1.72 0.06 0.00 0.02 0.00 0.00 55.97 54.33 2w3m s LYS 46 Cb 0.00 -1.82 -0.04 0.00 -0.52 0.00 0.00 37.83 35.44 2w3m s LYS 46 CO 0.00 0.33 -0.12 -0.65 -0.92 0.00 0.00 175.35 173.99 2w3m s GLN 47 N -3.53 1.15 0.53 1.68 -0.21 -0.27 -4.86 119.66 114.15 2w3m s GLN 47 Ca 0.30 -1.48 -0.16 0.00 0.02 0.00 0.00 55.36 54.04 2w3m s GLN 47 Cb -0.05 -0.83 -0.07 0.00 1.00 0.00 0.00 33.01 33.06 2w3m s GLN 47 CO 0.16 0.12 1.00 -0.80 -2.12 0.00 0.00 175.29 173.65 2w3m s ASN 48 N -3.14 6.48 -0.17 5.90 0.01 -1.26 -0.87 114.94 121.89 2w3m s ASN 48 Ca 0.18 1.60 -0.06 0.00 -0.71 0.00 0.00 52.86 53.88 2w3m s ASN 48 Cb 0.01 -2.51 -0.03 0.00 0.41 0.00 0.00 41.25 39.12 2w3m s ASN 48 CO 0.03 -0.69 0.02 -0.22 -1.51 0.00 0.00 177.10 174.73 2w3m s LEU 49 N -4.18 3.56 -0.17 0.60 2.96 -0.30 -1.24 118.68 119.91 2w3m s LEU 49 Ca 0.59 -0.01 -0.06 0.00 -0.22 0.00 0.00 54.13 54.44 2w3m s LEU 49 Cb -0.11 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 2w3m s LEU 49 CO 0.33 0.18 0.03 0.68 -1.32 0.00 0.00 176.35 176.25 2w3m s VAL 50 N 0.30 4.49 -0.13 1.68 -7.23 -0.38 -0.61 120.40 118.51 2w3m s VAL 50 Ca 0.00 -0.14 -0.00 0.00 -1.81 0.00 0.00 61.98 60.03 2w3m s VAL 50 Cb -0.13 -3.00 -0.01 0.00 0.56 0.00 0.00 36.38 33.79 2w3m s VAL 50 CO 0.01 0.47 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.51 2w3m s ILE 51 N 0.36 3.03 0.06 -0.62 1.01 -0.34 -1.39 121.20 123.32 2w3m s ILE 51 Ca 0.01 -0.67 -0.11 0.00 0.00 0.00 0.00 60.65 59.87 2w3m s ILE 51 Cb -0.13 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 40.08 2w3m s ILE 51 CO 0.01 0.52 0.25 0.00 0.00 0.00 0.00 174.94 175.73 2w3m s MET 52 N 0.36 0.81 0.91 2.79 0.23 -0.77 -1.70 119.30 121.94 2w3m s MET 52 Ca -0.11 -0.69 -0.12 0.00 -1.03 0.00 0.00 55.69 53.75 2w3m s MET 52 Cb -0.16 0.34 0.14 0.00 -1.53 0.00 0.00 34.83 33.62 2w3m s MET 52 CO 0.06 -0.26 1.09 0.20 -2.03 0.00 0.00 175.02 174.08 2w3m s GLY 53 N -2.37 1.61 0.16 3.16 0.00 -0.13 -0.52 107.32 109.23 2w3m s GLY 53 Ca -0.01 -0.13 -0.11 0.00 0.00 0.00 0.00 44.72 44.46 2w3m s GLY 53 CO -0.07 0.38 1.61 1.70 0.00 0.00 0.00 173.10 176.73 2w3m h LYS 54 N -1.59 0.93 -0.64 2.90 3.64 -1.91 -1.91 116.57 118.00 2w3m h LYS 54 Ca -0.50 -0.29 -0.07 0.00 -1.27 0.00 0.00 60.65 58.52 2w3m h LYS 54 Cb 1.29 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 2w3m h LYS 54 CO 0.55 0.95 0.14 0.87 -2.27 0.00 0.00 179.45 179.69 2w3m h LYS 55 N 0.81 1.02 -0.59 1.90 1.57 -1.94 -2.16 116.57 117.17 2w3m h LYS 55 Ca 0.15 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2w3m h LYS 55 Cb 0.52 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 2w3m h LYS 55 CO 0.03 0.92 0.31 1.15 -0.57 0.00 0.00 179.45 181.28 2w3m h THR 56 N 0.97 1.20 -0.17 -0.16 2.02 -1.84 -1.71 112.91 113.22 2w3m h THR 56 Ca 0.20 -0.54 0.04 0.00 0.77 0.00 0.00 66.41 66.88 2w3m h THR 56 Cb 0.37 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 2w3m h THR 56 CO 0.00 0.23 -0.07 -0.25 0.37 0.00 0.00 175.52 175.80 2w3m h TRP 57 N 0.81 -0.17 0.00 3.16 2.91 -0.95 -2.23 115.95 119.48 2w3m h TRP 57 Ca 0.21 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.24 2w3m h TRP 57 Cb 0.08 0.10 0.00 0.00 -0.51 0.00 0.00 29.16 28.83 2w3m h TRP 57 CO -0.01 -0.12 0.00 1.19 -1.03 0.00 0.00 178.44 178.48 2w3m n PHE 58 N -5.22 0.75 0.65 2.65 3.72 -0.85 -1.98 117.46 117.19 2w3m n PHE 58 Ca -0.03 0.29 0.13 0.00 -0.05 0.00 0.00 57.45 57.79 2w3m n PHE 58 Cb 0.14 -0.97 0.42 0.00 -0.94 0.00 0.00 39.48 38.14 2w3m n PHE 58 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2w3m n SER 59 N -2.18 0.76 -4.72 4.37 3.41 -0.66 -4.78 113.62 109.82 2w3m n SER 59 Ca 0.02 0.57 -0.42 0.00 -0.26 0.00 0.00 58.87 58.79 2w3m n SER 59 Cb 0.24 -0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 63.39 2w3m n SER 59 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2w3m s ILE 60 N -3.09 4.44 0.23 -1.33 1.01 -0.84 -4.97 121.20 116.65 2w3m s ILE 60 Ca 0.11 1.84 -0.31 0.00 0.00 0.00 0.00 60.65 62.29 2w3m s ILE 60 Cb 0.13 -4.18 -0.14 0.00 0.01 0.00 0.00 42.46 38.28 2w3m s ILE 60 CO 0.59 0.20 1.28 -2.65 0.00 0.00 0.00 174.94 174.36 2w3m n PRO 61 N 3.47 1.69 -0.35 2.79 -0.02 -1.26 -4.84 135.00 136.48 2w3m n PRO 61 Ca 0.06 0.60 0.10 0.00 -2.02 0.00 0.00 63.50 62.23 2w3m n PRO 61 Cb 0.49 -2.17 0.28 0.00 -0.02 0.00 0.00 33.50 32.08 2w3m n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2w3m h GLU 62 N 3.61 0.86 0.00 -0.52 4.81 -1.94 0.18 114.58 121.59 2w3m h GLU 62 Ca -0.44 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2w3m h GLU 62 Cb 1.30 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2w3m h GLU 62 CO 0.72 0.57 0.00 0.36 -0.73 0.00 0.00 179.01 179.92 2w3m n LYS 63 N -4.66 0.14 -0.11 1.92 0.00 -1.26 -2.08 118.16 112.11 2w3m n LYS 63 Ca 0.20 0.41 0.10 0.00 -0.00 0.00 0.00 58.31 59.02 2w3m n LYS 63 Cb 0.44 -1.78 0.15 0.00 -0.00 0.00 0.00 35.03 33.84 2w3m n LYS 63 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2w3m n ASN 64 N -2.04 2.99 -4.86 -5.58 4.13 0.62 -4.96 115.26 105.56 2w3m n ASN 64 Ca 0.02 -1.89 -0.37 0.00 1.68 0.00 0.00 54.58 54.03 2w3m n ASN 64 Cb 0.19 -0.14 -0.06 0.00 -1.54 0.00 0.00 39.78 38.22 2w3m n ASN 64 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2w3m s ARG 65 N -1.44 3.46 0.72 3.52 0.52 -0.88 -3.05 118.95 121.79 2w3m s ARG 65 Ca 0.29 -0.15 -0.12 0.00 -0.52 0.00 0.00 55.73 55.23 2w3m s ARG 65 Cb 0.18 -3.18 0.03 0.00 0.52 0.00 0.00 34.95 32.50 2w3m s ARG 65 CO 0.26 0.75 1.10 -1.25 0.02 0.00 0.00 175.30 176.18 2w3m s PRO 66 N -0.95 2.51 -0.11 3.54 0.04 -1.26 -4.99 135.00 133.78 2w3m s PRO 66 Ca 0.15 1.25 -0.33 0.00 0.04 0.00 0.00 61.00 62.11 2w3m s PRO 66 Cb -0.12 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 2w3m s PRO 66 CO 0.04 -1.46 1.98 1.28 0.04 0.00 0.00 177.00 178.88 2w3m n LEU 67 N -3.04 3.45 -4.76 -3.56 4.77 -1.17 -4.89 117.00 107.80 2w3m n LEU 67 Ca 0.10 0.80 -0.39 0.00 -0.03 0.00 0.00 56.01 56.48 2w3m n LEU 67 Cb 0.53 -1.42 0.03 0.00 -2.33 0.00 0.00 43.42 40.23 2w3m n LEU 67 CO 0.51 -0.15 1.04 2.29 -1.33 0.00 0.00 177.39 179.75 2w3m n LYS 68 N 7.29 2.03 -0.92 3.23 2.85 -1.26 -3.11 118.16 128.27 2w3m n LYS 68 Ca 0.25 0.73 0.00 0.00 -1.05 0.00 0.00 58.31 58.24 2w3m n LYS 68 Cb 0.33 -2.61 0.00 0.00 -0.65 0.00 0.00 35.03 32.10 2w3m n LYS 68 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2w3m n GLY 69 N 0.65 0.48 3.13 2.58 0.00 -1.26 -4.98 105.19 105.79 2w3m n GLY 69 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 2w3m n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2w3m s ARG 70 N -0.53 0.75 -0.16 1.61 0.52 -1.18 -4.50 118.95 115.47 2w3m s ARG 70 Ca 0.00 -0.84 -0.27 0.00 -0.52 0.00 0.00 55.73 54.10 2w3m s ARG 70 Cb 0.00 -0.70 -0.01 0.00 0.52 0.00 0.00 34.95 34.76 2w3m s ARG 70 CO 0.00 0.16 0.91 0.42 0.02 0.00 0.00 175.30 176.81 2w3m s ILE 71 N -1.18 4.82 -0.29 1.52 1.01 -0.37 -4.78 121.20 121.92 2w3m s ILE 71 Ca -0.03 1.81 -0.10 0.00 0.00 0.00 0.00 60.65 62.33 2w3m s ILE 71 Cb -0.09 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.14 2w3m s ILE 71 CO 0.02 -0.01 0.15 0.20 0.00 0.00 0.00 174.94 175.29 2w3m s ASN 72 N 1.15 5.63 -0.13 3.58 0.02 -1.26 -1.25 114.94 122.67 2w3m s ASN 72 Ca 0.42 -0.30 0.03 0.00 -1.02 0.00 0.00 52.86 51.99 2w3m s ASN 72 Cb -0.17 -2.03 0.01 0.00 0.02 0.00 0.00 41.25 39.08 2w3m s ASN 72 CO 0.13 -0.12 -0.22 -0.22 0.02 0.00 0.00 177.10 176.69 2w3m s LEU 73 N 1.67 2.15 -0.06 0.60 0.20 -0.48 -1.40 118.68 121.35 2w3m s LEU 73 Ca 0.06 -0.58 -0.00 0.00 0.69 0.00 0.00 54.13 54.30 2w3m s LEU 73 Cb -0.16 -1.45 -0.03 0.00 -0.43 0.00 0.00 46.19 44.11 2w3m s LEU 73 CO 0.07 0.10 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.52 2w3m s VAL 74 N 0.69 4.08 -0.13 1.68 1.01 -0.64 -1.84 120.40 125.25 2w3m s VAL 74 Ca -0.10 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.35 2w3m s VAL 74 Cb -0.16 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 2w3m s VAL 74 CO 0.01 0.56 0.31 -0.76 0.00 0.00 0.00 175.10 175.22 2w3m s LEU 75 N -1.00 4.30 -0.25 3.92 1.43 0.32 -1.92 118.68 125.49 2w3m s LEU 75 Ca 0.14 0.60 -0.26 0.00 -1.03 0.00 0.00 54.13 53.59 2w3m s LEU 75 Cb -0.11 -2.40 0.08 0.00 0.03 0.00 0.00 46.19 43.79 2w3m s LEU 75 CO 0.04 0.16 0.79 -0.55 0.23 0.00 0.00 176.35 177.02 2w3m s SER 76 N 0.09 -0.66 0.01 2.29 0.15 -0.75 -3.40 113.70 111.43 2w3m s SER 76 Ca 0.18 1.23 0.25 0.00 0.70 0.00 0.00 55.95 58.31 2w3m s SER 76 Cb -0.14 1.22 0.50 0.00 -1.71 0.00 0.00 66.02 65.89 2w3m s SER 76 CO 0.06 -0.26 1.41 0.54 1.20 0.00 0.00 173.24 176.18 2w3m n ARG 77 N 2.37 0.04 -0.07 5.44 1.74 -1.26 -4.10 116.66 120.82 2w3m n ARG 77 Ca -0.14 0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 56.86 2w3m n ARG 77 Cb 0.55 -1.52 -0.08 0.00 -1.02 0.00 0.00 32.46 30.39 2w3m n ARG 77 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2w3m n GLU 78 N -1.58 1.06 -2.39 5.56 4.71 -1.26 -5.05 120.64 121.69 2w3m n GLU 78 Ca 0.05 0.05 -0.36 0.00 -0.01 0.00 0.00 57.16 56.89 2w3m n GLU 78 Cb 0.35 -1.31 -0.02 0.00 -1.01 0.00 0.00 31.44 29.45 2w3m n GLU 78 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2w3m s LEU 79 N -5.48 3.94 0.05 -4.62 1.43 -1.26 -4.95 118.68 107.80 2w3m s LEU 79 Ca -0.15 2.13 0.06 0.00 -1.03 0.00 0.00 54.13 55.14 2w3m s LEU 79 Cb 0.05 -4.38 -0.23 0.00 0.03 0.00 0.00 46.19 41.66 2w3m s LEU 79 CO 0.41 -0.86 1.03 0.07 0.23 0.00 0.00 176.35 177.23 2w3m h LYS 80 N 1.85 0.07 -3.72 1.70 5.09 -1.96 -3.48 116.57 116.11 2w3m h LYS 80 Ca -0.49 -0.11 -0.08 0.00 0.09 0.00 0.00 60.65 60.06 2w3m h LYS 80 Cb 1.24 0.04 -0.11 0.00 0.10 0.00 0.00 32.23 33.50 2w3m h LYS 80 CO 0.60 0.90 -0.19 -1.83 -2.09 0.00 0.00 179.45 176.84 2w3m s GLU 81 N -2.66 1.35 0.63 0.07 -1.05 -1.26 -5.12 118.70 110.66 2w3m s GLU 81 Ca -0.03 -1.17 -0.18 0.00 -0.15 0.00 0.00 54.97 53.44 2w3m s GLU 81 Cb 0.09 0.43 -0.02 0.00 -0.44 0.00 0.00 34.13 34.19 2w3m s GLU 81 CO 0.83 -0.53 1.27 -2.14 0.95 0.00 0.00 175.26 175.63 2w3m s PRO 82 N -3.98 2.69 0.76 -4.83 0.02 -1.26 -4.93 135.00 123.47 2w3m s PRO 82 Ca 0.19 1.98 -0.15 0.00 0.02 0.00 0.00 61.00 63.04 2w3m s PRO 82 Cb 0.01 -1.87 0.04 0.00 0.02 0.00 0.00 34.50 32.70 2w3m s PRO 82 CO 0.03 -1.47 1.12 -2.30 -0.33 0.00 0.00 177.00 174.06 2w3m n PRO 83 N -1.81 0.42 -1.67 5.54 -0.02 -1.26 -4.79 135.00 131.40 2w3m n PRO 83 Ca 0.15 0.21 -0.51 0.00 -2.02 0.00 0.00 63.50 61.33 2w3m n PRO 83 Cb 0.49 -2.37 -0.06 0.00 -0.02 0.00 0.00 33.50 31.54 2w3m n PRO 83 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2w3m n GLN 84 N -2.58 1.77 0.00 -0.52 -0.06 -1.26 -1.09 117.38 113.64 2w3m n GLN 84 Ca 0.14 0.64 0.00 0.00 -2.00 0.00 0.00 57.00 55.77 2w3m n GLN 84 Cb 0.50 -2.47 0.00 0.00 -4.06 0.00 0.00 30.24 24.21 2w3m n GLN 84 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2w3m n GLY 85 N 4.55 3.19 3.82 1.69 0.00 -1.26 -4.92 105.19 112.26 2w3m n GLY 85 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 2w3m n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w3m s ALA 86 N -2.79 2.92 -0.07 4.61 0.00 -0.25 -4.09 121.76 122.10 2w3m s ALA 86 Ca 0.00 0.30 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 2w3m s ALA 86 Cb 0.00 -3.17 -0.26 0.00 0.00 0.00 0.00 23.12 19.68 2w3m s ALA 86 CO 0.00 -0.45 0.56 0.45 0.00 0.00 0.00 175.76 176.32 2w3m h HIS 87 N 0.81 0.40 -3.82 0.00 -0.00 -1.54 -3.46 115.15 107.55 2w3m h HIS 87 Ca -0.47 -0.29 -0.09 0.00 -0.00 0.00 0.00 60.37 59.52 2w3m h HIS 87 Cb 1.20 -0.02 -0.14 0.00 -0.00 0.00 0.00 27.41 28.45 2w3m h HIS 87 CO 0.61 1.53 -0.39 -0.06 -0.00 0.00 0.00 177.93 179.62 2w3m s PHE 88 N -2.58 0.17 -0.03 2.45 0.08 -1.04 -4.97 117.98 112.06 2w3m s PHE 88 Ca -0.15 -0.59 -0.01 0.00 0.12 0.00 0.00 56.93 56.30 2w3m s PHE 88 Cb 0.07 -0.08 0.03 0.00 -0.57 0.00 0.00 43.02 42.47 2w3m s PHE 88 CO 0.81 -0.53 0.06 -1.17 -0.10 0.00 0.00 175.22 174.29 2w3m s LEU 89 N -2.81 1.16 0.05 -0.37 2.96 -1.26 -1.63 118.68 116.79 2w3m s LEU 89 Ca 0.04 0.10 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 2w3m s LEU 89 Cb 0.05 0.06 -0.03 0.00 0.50 0.00 0.00 46.19 46.77 2w3m s LEU 89 CO -0.10 -0.11 -0.09 -0.44 -1.32 0.00 0.00 176.35 174.29 2w3m s SER 90 N 0.87 1.00 0.04 3.68 0.01 -0.81 -4.97 113.70 113.53 2w3m s SER 90 Ca -0.07 -0.58 0.27 0.00 1.31 0.00 0.00 55.95 56.88 2w3m s SER 90 Cb -0.10 0.02 0.90 0.00 0.21 0.00 0.00 66.02 67.05 2w3m s SER 90 CO -0.03 -0.19 1.71 0.54 0.41 0.00 0.00 173.24 175.68 2w3m n ARG 91 N 1.37 0.07 -3.69 12.44 5.12 -1.26 -1.82 116.66 128.89 2w3m n ARG 91 Ca -0.22 0.04 -0.08 0.00 -1.93 0.00 0.00 57.85 55.66 2w3m n ARG 91 Cb 0.55 -1.56 -0.02 0.00 -1.16 0.00 0.00 32.46 30.27 2w3m n ARG 91 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2w3m s SER 92 N -3.35 -0.35 0.12 0.55 1.04 -1.26 -4.66 113.70 105.79 2w3m s SER 92 Ca 0.12 -0.36 -0.18 0.00 0.48 0.00 0.00 55.95 56.02 2w3m s SER 92 Cb 0.17 0.64 -0.04 0.00 0.10 0.00 0.00 66.02 66.89 2w3m s SER 92 CO 0.60 -1.13 1.71 0.25 0.98 0.00 0.00 173.24 175.66 2w3m h LEU 93 N 2.00 0.39 -0.61 2.42 5.85 -2.00 -1.89 115.31 121.48 2w3m h LEU 93 Ca -0.24 -0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.49 2w3m h LEU 93 Cb 1.27 -0.10 -0.12 0.00 0.37 0.00 0.00 40.66 42.08 2w3m h LEU 93 CO 0.28 0.39 -0.18 0.44 -0.34 0.00 0.00 178.44 179.03 2w3m h ASP 94 N 0.37 -0.66 -0.70 1.25 3.32 -2.00 -1.66 116.42 116.35 2w3m h ASP 94 Ca 0.11 0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.31 2w3m h ASP 94 Cb 0.09 0.41 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 2w3m h ASP 94 CO -0.02 -0.22 0.29 0.44 -1.72 0.00 0.00 179.24 178.01 2w3m h ASP 95 N -0.03 0.95 -0.35 6.45 3.32 -1.91 -2.20 116.42 122.65 2w3m h ASP 95 Ca 0.29 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.20 2w3m h ASP 95 Cb 0.47 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 2w3m h ASP 95 CO -0.64 0.85 0.15 0.00 -1.72 0.00 0.00 179.24 177.89 2w3m h ALA 96 N 1.13 0.42 -0.27 3.45 0.00 -0.53 -0.68 119.26 122.79 2w3m h ALA 96 Ca 0.23 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 2w3m h ALA 96 Cb 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2w3m h ALA 96 CO -0.02 -0.23 -0.27 -0.07 0.00 0.00 0.00 179.25 178.66 2w3m h LEU 97 N 0.32 0.54 -1.02 0.00 3.38 -1.18 -2.51 115.31 114.83 2w3m h LEU 97 Ca 0.15 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2w3m h LEU 97 Cb 0.09 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2w3m h LEU 97 CO -0.13 0.80 0.02 0.11 0.09 0.00 0.00 178.44 179.33 2w3m h LYS 98 N 0.46 0.73 -0.92 1.13 1.79 -0.96 -2.56 116.57 116.24 2w3m h LYS 98 Ca 0.06 -0.17 0.10 0.00 -2.18 0.00 0.00 60.65 58.46 2w3m h LYS 98 Cb 0.71 -0.09 -0.07 0.00 -1.58 0.00 0.00 32.23 31.20 2w3m h LYS 98 CO 0.05 0.72 0.59 -0.07 -1.08 0.00 0.00 179.45 179.67 2w3m h LEU 99 N 0.69 0.84 -2.51 2.94 3.38 -0.68 -2.78 115.31 117.20 2w3m h LEU 99 Ca 0.14 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.15 2w3m h LEU 99 Cb 0.39 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2w3m h LEU 99 CO 0.01 0.49 0.07 0.71 0.09 0.00 0.00 178.44 179.81 2w3m h THR 100 N 0.93 0.36 -0.42 0.22 1.35 -1.39 -1.18 112.91 112.77 2w3m h THR 100 Ca 0.43 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.29 2w3m h THR 100 Cb 0.41 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 2w3m h THR 100 CO -0.19 0.00 0.00 -1.84 -0.25 0.00 0.00 175.52 173.24 2w3m n GLU 101 N -3.61 2.49 -1.88 4.72 0.28 -1.05 -3.12 120.64 118.47 2w3m n GLU 101 Ca -0.02 -2.30 -0.30 0.00 -0.16 0.00 0.00 57.16 54.38 2w3m n GLU 101 Cb 0.15 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.56 2w3m n GLU 101 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 2w3m s GLN 102 N -1.37 3.10 0.22 3.44 -1.52 -0.45 -4.70 119.66 118.39 2w3m s GLN 102 Ca 0.38 0.56 -0.08 0.00 -1.95 0.00 0.00 55.36 54.28 2w3m s GLN 102 Cb 0.22 -2.04 0.36 0.00 -0.22 0.00 0.00 33.01 31.33 2w3m s GLN 102 CO 0.30 -0.88 1.71 -1.35 -0.25 0.00 0.00 175.29 174.82 2w3m h PRO 103 N -0.54 0.29 -0.91 2.91 0.11 -1.92 0.54 132.00 132.48 2w3m h PRO 103 Ca -0.45 -0.02 0.15 0.00 0.11 0.00 0.00 66.00 65.80 2w3m h PRO 103 Cb 1.23 -0.07 -0.07 0.00 0.11 0.00 0.00 31.00 32.20 2w3m h PRO 103 CO 0.63 0.19 0.58 1.49 -0.21 0.00 0.00 178.00 180.69 2w3m h GLU 104 N 0.30 0.65 -0.00 1.05 4.81 -1.94 -2.87 114.58 116.58 2w3m h GLU 104 Ca 0.36 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 2w3m h GLU 104 Cb 0.55 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2w3m h GLU 104 CO -0.43 0.43 -0.33 1.28 -0.73 0.00 0.00 179.01 179.23 2w3m n LEU 105 N -4.57 0.88 -0.23 1.64 4.77 -0.84 -4.76 117.00 113.89 2w3m n LEU 105 Ca 0.18 -0.64 0.02 0.00 -0.03 0.00 0.00 56.01 55.54 2w3m n LEU 105 Cb 0.50 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.70 2w3m n LEU 105 CO 0.29 0.19 0.80 0.00 -1.33 0.00 0.00 177.39 177.33 2w3m h ALA 106 N 1.63 0.62 -0.58 -1.18 0.00 -0.68 -0.26 119.26 118.82 2w3m h ALA 106 Ca 0.00 0.23 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 2w3m h ALA 106 Cb 0.30 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 2w3m h ALA 106 CO 0.00 -0.41 0.14 0.09 0.00 0.00 0.00 179.25 179.07 2w3m n ASN 107 N -5.36 4.69 0.00 0.00 3.02 -1.26 -4.55 115.26 111.80 2w3m n ASN 107 Ca 0.11 -2.94 0.00 0.00 -0.03 0.00 0.00 54.58 51.71 2w3m n ASN 107 Cb 0.40 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 2w3m n ASN 107 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2w3m n LYS 108 N 0.16 2.72 -3.79 3.52 4.01 -0.11 -4.72 118.16 119.96 2w3m n LYS 108 Ca 0.31 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.76 2w3m n LYS 108 Cb 1.17 -0.85 -0.08 0.00 -0.51 0.00 0.00 35.03 34.76 2w3m n LYS 108 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2w3m s VAL 109 N -1.68 5.31 0.00 -0.18 1.01 -1.21 -1.11 120.40 122.54 2w3m s VAL 109 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2w3m s VAL 109 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.97 2w3m s VAL 109 CO 0.00 0.45 0.00 -0.67 0.00 0.00 0.00 175.10 174.88 2w3m n ASP 110 N 3.42 0.00 -4.95 3.32 2.03 -0.05 -4.87 116.55 115.46 2w3m n ASP 110 Ca -0.16 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 54.90 2w3m n ASP 110 Cb 0.52 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.90 2w3m n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2w3m s MET 111 N 0.04 3.46 -0.13 -0.67 -1.94 -1.26 -4.95 119.30 113.84 2w3m s MET 111 Ca 0.00 -0.59 0.00 0.00 -1.71 0.00 0.00 55.69 53.40 2w3m s MET 111 Cb 0.00 -2.89 -0.01 0.00 2.01 0.00 0.00 34.83 33.94 2w3m s MET 111 CO 0.00 0.44 -0.14 0.08 -0.01 0.00 0.00 175.02 175.38 2w3m s VAL 112 N -1.89 2.90 -0.13 -6.03 1.01 -1.26 -1.15 120.40 113.84 2w3m s VAL 112 Ca 0.35 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.64 2w3m s VAL 112 Cb -0.10 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.08 2w3m s VAL 112 CO 0.29 0.53 -0.20 0.26 0.00 0.00 0.00 175.10 175.98 2w3m s TRP 113 N 0.40 2.48 -0.22 5.22 0.52 0.21 -1.67 118.94 125.88 2w3m s TRP 113 Ca -0.11 -1.24 -0.17 0.00 0.02 0.00 0.00 56.10 54.60 2w3m s TRP 113 Cb -0.16 -1.71 -0.04 0.00 -1.15 0.00 0.00 33.47 30.41 2w3m s TRP 113 CO 0.06 -0.58 0.44 0.42 0.02 0.00 0.00 176.95 177.31 2w3m s ILE 114 N 0.88 5.15 -0.13 2.03 -1.09 0.11 -1.20 121.20 126.94 2w3m s ILE 114 Ca -0.07 0.77 0.19 0.00 -2.23 0.00 0.00 60.65 59.31 2w3m s ILE 114 Cb -0.15 -3.77 0.30 0.00 -1.58 0.00 0.00 42.46 37.26 2w3m s ILE 114 CO -0.02 0.19 1.17 1.33 -1.23 0.00 0.00 174.94 176.38 2w3m n VAL 115 N 4.63 1.91 0.00 2.92 0.24 -0.69 -2.10 118.33 125.25 2w3m n VAL 115 Ca -0.07 -2.23 0.00 0.00 -2.04 0.00 0.00 64.34 60.00 2w3m n VAL 115 Cb 0.51 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 2w3m n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2w3m n GLY 116 N -1.37 0.99 0.00 7.63 0.00 -1.26 -4.94 105.19 106.24 2w3m n GLY 116 Ca 0.16 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 44.09 2w3m n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2w3m n GLY 117 N 0.63 1.61 0.26 -0.02 0.00 -1.26 -0.95 105.19 105.45 2w3m n GLY 117 Ca 0.00 -1.76 0.03 0.00 0.00 0.00 0.00 46.02 44.30 2w3m n GLY 117 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2w3m h SER 118 N 0.00 0.25 -0.16 1.61 4.64 -1.98 -1.16 113.55 116.76 2w3m h SER 118 Ca 0.00 0.10 -0.09 0.00 -0.47 0.00 0.00 61.79 61.33 2w3m h SER 118 Cb 0.00 0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2w3m h SER 118 CO 0.00 0.11 -0.17 0.28 -0.87 0.00 0.00 176.83 176.18 2w3m h SER 119 N 0.43 0.56 -0.22 4.97 0.02 -1.95 -1.61 113.55 115.74 2w3m h SER 119 Ca 0.38 -0.17 -0.19 0.00 -0.84 0.00 0.00 61.79 60.97 2w3m h SER 119 Cb 0.55 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2w3m h SER 119 CO -0.38 0.75 -0.61 0.58 -1.14 0.00 0.00 176.83 176.03 2w3m h VAL 120 N 0.51 1.28 -0.29 2.27 2.07 -1.63 -2.80 116.25 117.66 2w3m h VAL 120 Ca 0.08 -1.81 -0.03 0.00 0.82 0.00 0.00 66.70 65.77 2w3m h VAL 120 Cb 0.59 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2w3m h VAL 120 CO 0.04 0.58 0.06 1.88 0.02 0.00 0.00 177.57 180.15 2w3m h TYR 121 N 0.57 0.50 -0.41 1.57 0.05 -1.11 -1.85 116.97 116.28 2w3m h TYR 121 Ca -0.01 -0.06 0.06 0.00 0.05 0.00 0.00 58.73 58.76 2w3m h TYR 121 Cb 1.23 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 38.78 2w3m h TYR 121 CO 0.08 0.54 0.11 -0.22 -1.05 0.00 0.00 178.16 177.62 2w3m h LYS 122 N 0.30 0.24 -0.27 4.88 3.64 -1.27 -0.03 116.57 124.06 2w3m h LYS 122 Ca 0.09 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.32 2w3m h LYS 122 Cb 0.30 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2w3m h LYS 122 CO 0.00 0.16 -0.37 1.49 -2.27 0.00 0.00 179.45 178.46 2w3m h GLU 123 N 0.25 0.73 -0.75 1.90 4.81 -1.50 -3.04 114.58 116.98 2w3m h GLU 123 Ca 0.20 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 2w3m h GLU 123 Cb 0.22 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 2w3m h GLU 123 CO -0.24 1.04 0.44 0.00 -0.73 0.00 0.00 179.01 179.53 2w3m h ALA 124 N 0.68 0.95 0.00 2.92 0.00 -1.09 -2.61 119.26 120.10 2w3m h ALA 124 Ca 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2w3m h ALA 124 Cb 0.96 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2w3m h ALA 124 CO 0.09 0.43 -0.13 0.52 0.00 0.00 0.00 179.25 180.16 2w3m h MET 125 N 1.02 0.00 -0.07 0.00 2.86 -0.97 -1.48 114.93 116.29 2w3m h MET 125 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 2w3m h MET 125 Cb -0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2w3m h MET 125 CO -0.05 0.13 0.00 -1.71 1.06 0.00 0.00 176.91 176.34 2w3m n ASN 126 N -3.84 2.14 -4.77 1.22 4.05 -1.04 -4.97 115.26 108.06 2w3m n ASN 126 Ca -0.02 -1.72 -0.40 0.00 0.45 0.00 0.00 54.58 52.89 2w3m n ASN 126 Cb 0.23 -0.03 -0.02 0.00 1.23 0.00 0.00 39.78 41.18 2w3m n ASN 126 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 177.26 171.93 2w3m s HIS 127 N -1.93 3.09 0.54 1.20 2.46 -0.56 -4.97 115.29 115.12 2w3m s HIS 127 Ca 0.34 1.46 -0.21 0.00 0.47 0.00 0.00 55.06 57.12 2w3m s HIS 127 Cb 0.20 -3.60 -0.05 0.00 -0.13 0.00 0.00 32.58 29.00 2w3m s HIS 127 CO 0.31 -1.68 1.30 -2.14 -2.47 0.00 0.00 174.74 170.07 2w3m s PRO 128 N -1.85 3.18 0.07 2.88 0.02 -1.26 -4.87 135.00 133.17 2w3m s PRO 128 Ca 0.50 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.62 2w3m s PRO 128 Cb -0.38 -2.22 0.00 0.00 0.02 0.00 0.00 34.50 31.93 2w3m s PRO 128 CO 0.50 -1.12 0.00 0.41 -0.33 0.00 0.00 177.00 176.46 2w3m n GLY 129 N 0.67 -1.13 3.72 0.52 0.00 -0.79 -4.93 105.19 103.25 2w3m n GLY 129 Ca 0.11 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 2w3m n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2w3m s HIS 130 N 0.00 3.63 -0.03 1.61 5.65 -1.24 -3.86 115.29 121.05 2w3m s HIS 130 Ca 0.00 1.61 -0.02 0.00 0.25 0.00 0.00 55.06 56.90 2w3m s HIS 130 Cb 0.00 -3.21 0.01 0.00 -1.18 0.00 0.00 32.58 28.20 2w3m s HIS 130 CO 0.00 -0.40 0.07 -0.51 -0.65 0.00 0.00 174.74 173.25 2w3m s LEU 131 N 0.47 1.57 -0.03 8.88 1.43 -0.83 -2.42 118.68 127.75 2w3m s LEU 131 Ca 0.52 0.14 0.06 0.00 -1.03 0.00 0.00 54.13 53.81 2w3m s LEU 131 Cb -0.25 0.21 -0.02 0.00 0.03 0.00 0.00 46.19 46.15 2w3m s LEU 131 CO 0.30 -0.05 -0.20 -0.54 0.23 0.00 0.00 176.35 176.10 2w3m s LYS 132 N 0.26 2.30 -0.24 1.70 1.02 -0.91 -1.46 119.74 122.42 2w3m s LYS 132 Ca -0.02 -0.82 -0.01 0.00 0.02 0.00 0.00 55.97 55.14 2w3m s LYS 132 Cb -0.03 -2.22 0.03 0.00 -0.52 0.00 0.00 37.83 35.09 2w3m s LYS 132 CO -0.01 0.59 -0.09 -0.51 -0.92 0.00 0.00 175.35 174.41 2w3m s LEU 133 N -0.73 3.02 -0.50 3.17 1.43 -0.26 -1.02 118.68 123.79 2w3m s LEU 133 Ca 0.11 -0.85 -0.17 0.00 -1.03 0.00 0.00 54.13 52.19 2w3m s LEU 133 Cb -0.10 -1.63 0.08 0.00 0.03 0.00 0.00 46.19 44.57 2w3m s LEU 133 CO 0.00 -0.10 0.49 -0.36 0.23 0.00 0.00 176.35 176.60 2w3m s PHE 134 N 1.31 3.18 -0.19 0.29 0.40 0.07 -0.78 117.98 122.25 2w3m s PHE 134 Ca 0.01 -0.90 -0.02 0.00 -0.60 0.00 0.00 56.93 55.42 2w3m s PHE 134 Cb -0.16 -3.42 0.00 0.00 0.51 0.00 0.00 43.02 39.95 2w3m s PHE 134 CO -0.06 -0.92 -0.11 0.08 0.70 0.00 0.00 175.22 174.90 2w3m s VAL 135 N 1.93 2.82 -0.32 -0.44 1.01 -0.33 -1.66 120.40 123.41 2w3m s VAL 135 Ca 0.07 -0.69 -0.18 0.00 0.00 0.00 0.00 61.98 61.19 2w3m s VAL 135 Cb -0.24 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 2w3m s VAL 135 CO 0.07 0.48 0.49 -0.89 0.00 0.00 0.00 175.10 175.25 2w3m s THR 136 N 1.28 5.05 -0.51 3.92 2.01 -0.34 -0.37 115.64 126.67 2w3m s THR 136 Ca 0.03 0.45 -0.21 0.00 0.31 0.00 0.00 61.69 62.28 2w3m s THR 136 Cb -0.14 -3.91 0.05 0.00 0.01 0.00 0.00 72.50 68.52 2w3m s THR 136 CO -0.06 -0.12 0.71 -0.13 -0.69 0.00 0.00 174.62 174.34 2w3m s ARG 137 N 2.33 3.19 -0.32 4.92 1.81 0.07 -1.26 118.95 129.68 2w3m s ARG 137 Ca 0.18 -0.68 -0.29 0.00 -1.72 0.00 0.00 55.73 53.23 2w3m s ARG 137 Cb -0.16 -4.07 0.02 0.00 -0.45 0.00 0.00 34.95 30.29 2w3m s ARG 137 CO 0.12 -1.28 1.07 0.42 -0.68 0.00 0.00 175.30 174.96 2w3m s ILE 138 N 3.01 4.51 -1.16 1.52 -1.09 0.02 -1.62 121.20 126.39 2w3m s ILE 138 Ca 0.20 1.73 -0.05 0.00 -2.23 0.00 0.00 60.65 60.30 2w3m s ILE 138 Cb -0.17 -4.42 0.11 0.00 -1.58 0.00 0.00 42.46 36.41 2w3m s ILE 138 CO 0.14 -0.48 2.45 0.23 -1.23 0.00 0.00 174.94 176.05 2w3m n MET 139 N 6.87 4.22 -3.49 2.79 2.81 -0.15 -2.40 117.12 127.78 2w3m n MET 139 Ca 0.12 -3.28 -0.11 0.00 -1.81 0.00 0.00 57.70 52.62 2w3m n MET 139 Cb 0.47 -2.54 -0.02 0.00 -0.71 0.00 0.00 33.22 30.42 2w3m n MET 139 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2w3m s GLN 140 N -1.31 1.36 0.09 0.03 -0.21 -1.26 -4.76 119.66 113.59 2w3m s GLN 140 Ca 0.55 -0.55 -0.25 0.00 0.02 0.00 0.00 55.36 55.13 2w3m s GLN 140 Cb 0.22 0.59 -0.06 0.00 1.00 0.00 0.00 33.01 34.76 2w3m s GLN 140 CO -0.12 -0.60 0.76 0.34 -2.12 0.00 0.00 175.29 173.56 2w3m s ASP 141 N -2.78 7.28 -0.02 5.90 -1.08 -1.26 -1.48 116.67 123.23 2w3m s ASP 141 Ca 0.02 1.52 0.01 0.00 -0.52 0.00 0.00 52.55 53.58 2w3m s ASP 141 Cb -0.02 -2.48 0.01 0.00 -1.46 0.00 0.00 42.92 38.98 2w3m s ASP 141 CO -0.10 0.10 -0.01 -0.36 0.52 0.00 0.00 175.17 175.31 2w3m s PHE 142 N -0.51 0.28 0.00 -5.34 0.08 -1.26 -4.98 117.98 106.25 2w3m s PHE 142 Ca 0.37 -0.02 -0.35 0.00 0.12 0.00 0.00 56.93 57.05 2w3m s PHE 142 Cb -0.21 -0.28 -0.13 0.00 -0.57 0.00 0.00 43.02 41.82 2w3m s PHE 142 CO 0.24 -0.07 1.73 -1.91 -0.10 0.00 0.00 175.22 175.11 2w3m n GLU 143 N 3.58 2.04 -4.09 0.44 2.13 -1.26 -4.83 120.64 118.64 2w3m n GLU 143 Ca -0.20 0.74 -0.08 0.00 0.66 0.00 0.00 57.16 58.29 2w3m n GLU 143 Cb 0.55 -2.54 -0.10 0.00 0.27 0.00 0.00 31.44 29.62 2w3m n GLU 143 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2w3m s SER 144 N 2.63 0.56 0.00 4.31 0.01 -1.26 -4.77 113.70 115.18 2w3m s SER 144 Ca 0.87 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 57.16 2w3m s SER 144 Cb -0.73 0.18 0.00 0.00 0.21 0.00 0.00 66.02 65.68 2w3m s SER 144 CO 0.47 -0.56 0.37 -0.90 0.41 0.00 0.00 173.24 173.03 2w3m n ASP 145 N 0.18 0.70 -3.83 2.44 5.68 -0.07 -4.99 116.55 116.66 2w3m n ASP 145 Ca -0.14 -1.07 -0.15 0.00 -0.50 0.00 0.00 54.79 52.93 2w3m n ASP 145 Cb 0.61 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.43 2w3m n ASP 145 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2w3m s THR 146 N -0.07 0.06 0.09 2.12 2.01 -1.07 -5.00 115.64 113.79 2w3m s THR 146 Ca 0.00 0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.12 2w3m s THR 146 Cb 0.00 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.35 2w3m s THR 146 CO 0.00 0.07 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.52 2w3m s PHE 147 N 0.59 1.18 -0.08 4.92 0.40 -1.26 -0.59 117.98 123.13 2w3m s PHE 147 Ca -0.05 -0.55 -0.19 0.00 -0.60 0.00 0.00 56.93 55.54 2w3m s PHE 147 Cb -0.08 -0.64 -0.05 0.00 0.51 0.00 0.00 43.02 42.76 2w3m s PHE 147 CO -0.01 0.05 0.51 0.12 0.70 0.00 0.00 175.22 176.58 2w3m s PHE 148 N -1.90 3.57 0.82 0.36 5.36 -0.02 -4.70 117.98 121.47 2w3m s PHE 148 Ca 0.03 0.99 -0.13 0.00 -0.96 0.00 0.00 56.93 56.86 2w3m s PHE 148 Cb -0.06 -2.55 0.09 0.00 -0.34 0.00 0.00 43.02 40.16 2w3m s PHE 148 CO 0.02 0.25 1.19 -2.14 -1.46 0.00 0.00 175.22 173.07 2w3m s PRO 149 N 0.29 1.56 0.34 10.12 0.02 -1.26 -4.94 135.00 141.12 2w3m s PRO 149 Ca 0.27 1.68 -0.29 0.00 0.02 0.00 0.00 61.00 62.69 2w3m s PRO 149 Cb -0.16 -1.77 -0.10 0.00 0.02 0.00 0.00 34.50 32.48 2w3m s PRO 149 CO 0.12 -2.26 1.33 -1.83 -0.33 0.00 0.00 177.00 174.03 2w3m s GLU 150 N -4.27 4.33 -0.32 5.54 1.03 -1.26 -4.99 118.70 118.76 2w3m s GLU 150 Ca 0.71 2.25 -0.20 0.00 0.03 0.00 0.00 54.97 57.76 2w3m s GLU 150 Cb -0.27 -3.06 -0.01 0.00 -0.80 0.00 0.00 34.13 30.00 2w3m s GLU 150 CO 0.52 -0.23 0.63 0.42 -1.33 0.00 0.00 175.26 175.28 2w3m s ILE 151 N -1.14 4.93 -0.65 1.83 1.01 -1.26 -5.03 121.20 120.88 2w3m s ILE 151 Ca 0.49 0.81 -0.27 0.00 0.00 0.00 0.00 60.65 61.68 2w3m s ILE 151 Cb -0.40 -4.02 0.03 0.00 0.01 0.00 0.00 42.46 38.08 2w3m s ILE 151 CO 0.54 -0.18 1.21 -0.62 0.00 0.00 0.00 174.94 175.90 2w3m s ASP 152 N 1.67 6.31 0.00 3.58 -1.08 -1.26 -4.90 116.67 120.99 2w3m s ASP 152 Ca 0.25 -0.20 0.19 0.00 -0.52 0.00 0.00 52.55 52.27 2w3m s ASP 152 Cb -0.15 -2.55 0.94 0.00 -1.46 0.00 0.00 42.92 39.70 2w3m s ASP 152 CO 0.12 -1.63 1.56 0.18 0.52 0.00 0.00 175.17 175.93 2w3m n LEU 153 N 8.80 0.00 0.23 -1.34 4.77 -1.26 -1.22 117.00 126.97 2w3m n LEU 153 Ca 0.05 0.28 0.08 0.00 -0.03 0.00 0.00 56.01 56.40 2w3m n LEU 153 Cb 0.49 -0.28 0.53 0.00 -2.33 0.00 0.00 43.42 41.83 2w3m n LEU 153 CO 0.71 -0.11 0.84 -0.33 -1.33 0.00 0.00 177.39 177.17 2w3m h GLU 154 N 0.00 0.00 0.00 3.23 4.39 -2.04 -3.36 114.58 116.81 2w3m h GLU 154 Ca 0.00 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.50 2w3m h GLU 154 Cb 0.17 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 2w3m h GLU 154 CO 0.00 0.24 -1.76 1.63 -1.16 0.00 0.00 179.01 177.96 2w3m n LYS 155 N -3.73 0.33 -4.05 2.33 5.02 -0.54 -5.04 118.16 112.49 2w3m n LYS 155 Ca -0.01 0.08 -0.36 0.00 -2.02 0.00 0.00 58.31 56.00 2w3m n LYS 155 Cb 0.35 -1.26 -0.07 0.00 -0.02 0.00 0.00 35.03 34.03 2w3m n LYS 155 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2w3m s TYR 156 N -2.27 3.44 -0.13 2.13 2.02 -0.36 -4.38 117.35 117.80 2w3m s TYR 156 Ca -0.18 0.39 -0.03 0.00 -0.37 0.00 0.00 57.07 56.87 2w3m s TYR 156 Cb 0.05 -1.87 -0.03 0.00 -0.40 0.00 0.00 41.96 39.71 2w3m s TYR 156 CO 0.30 0.64 -0.01 0.15 -1.57 0.00 0.00 175.55 175.06 2w3m s LYS 157 N -1.12 3.42 -0.21 -0.62 1.02 -0.46 -4.41 119.74 117.36 2w3m s LYS 157 Ca 0.16 -0.45 -0.29 0.00 0.02 0.00 0.00 55.97 55.41 2w3m s LYS 157 Cb -0.12 -2.90 0.00 0.00 -0.52 0.00 0.00 37.83 34.30 2w3m s LYS 157 CO 0.05 0.44 1.07 -1.17 -0.92 0.00 0.00 175.35 174.83 2w3m s LEU 158 N -0.16 4.13 0.19 3.17 2.96 -1.26 -1.03 118.68 126.68 2w3m s LEU 158 Ca 0.04 1.45 -0.28 0.00 -0.22 0.00 0.00 54.13 55.12 2w3m s LEU 158 Cb -0.13 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.94 2w3m s LEU 158 CO 0.02 -0.66 0.88 -0.76 -1.32 0.00 0.00 176.35 174.51 2w3m s LEU 159 N 3.13 4.61 0.33 -0.68 1.43 -0.19 -4.96 118.68 122.35 2w3m s LEU 159 Ca 0.46 1.81 0.05 0.00 -1.03 0.00 0.00 54.13 55.42 2w3m s LEU 159 Cb -0.16 -3.49 0.59 0.00 0.03 0.00 0.00 46.19 43.15 2w3m s LEU 159 CO 0.09 0.15 1.84 1.55 0.23 0.00 0.00 176.35 180.20 2w3m h PRO 160 N 4.43 0.46 -3.30 1.29 0.13 -1.96 -3.43 132.00 129.63 2w3m h PRO 160 Ca -0.45 -0.12 -0.04 0.00 -0.87 0.00 0.00 66.00 64.52 2w3m h PRO 160 Cb 1.20 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 2w3m h PRO 160 CO 0.68 0.56 0.11 -1.83 -0.23 0.00 0.00 178.00 177.29 2w3m s GLU 161 N -4.80 1.91 -0.18 0.86 1.03 -1.26 -5.05 118.70 111.21 2w3m s GLU 161 Ca -0.07 -1.31 -0.11 0.00 0.03 0.00 0.00 54.97 53.50 2w3m s GLU 161 Cb 0.15 0.56 0.06 0.00 -0.80 0.00 0.00 34.13 34.10 2w3m s GLU 161 CO 0.77 -0.86 0.44 -0.47 -1.33 0.00 0.00 175.26 173.81 2w3m s TYR 162 N -3.26 -0.61 0.11 4.83 5.04 -1.26 -5.04 117.35 117.16 2w3m s TYR 162 Ca 0.18 1.34 -0.35 0.00 -2.44 0.00 0.00 57.07 55.80 2w3m s TYR 162 Cb -0.04 0.27 -0.14 0.00 0.35 0.00 0.00 41.96 42.40 2w3m s TYR 162 CO 0.11 -0.33 1.55 -2.30 -1.34 0.00 0.00 175.55 173.24 2w3m n PRO 163 N 3.89 1.89 -0.82 4.97 -0.02 -1.26 -2.04 135.00 141.61 2w3m n PRO 163 Ca -0.20 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2w3m n PRO 163 Cb 0.56 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2w3m n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2w3m n GLY 164 N 3.31 0.80 3.23 -1.23 0.00 -1.26 -5.04 105.19 105.01 2w3m n GLY 164 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2w3m n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2w3m s VAL 165 N -3.07 2.38 0.33 1.61 1.01 -0.86 -5.11 120.40 116.68 2w3m s VAL 165 Ca 0.00 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 2w3m s VAL 165 Cb 0.00 -1.97 -0.10 0.00 0.00 0.00 0.00 36.38 34.31 2w3m s VAL 165 CO 0.00 0.54 1.36 -0.76 0.00 0.00 0.00 175.10 176.23 2w3m s LEU 166 N 0.69 4.40 -0.02 3.92 1.43 -1.26 -4.56 118.68 123.28 2w3m s LEU 166 Ca -0.09 2.77 0.17 0.00 -1.03 0.00 0.00 54.13 55.95 2w3m s LEU 166 Cb -0.16 -3.65 -0.19 0.00 0.03 0.00 0.00 46.19 42.22 2w3m s LEU 166 CO 0.01 -0.62 0.61 -1.20 0.23 0.00 0.00 176.35 175.38 2w3m n SER 167 N 0.87 0.61 -4.89 2.29 7.64 -1.26 -4.48 113.62 114.40 2w3m n SER 167 Ca 0.01 0.27 -0.30 0.00 1.01 0.00 0.00 58.87 59.86 2w3m n SER 167 Cb 0.41 0.47 0.01 0.00 -1.01 0.00 0.00 64.21 64.09 2w3m n SER 167 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2w3m s ASP 168 N -5.64 6.18 0.25 6.43 1.01 -1.26 -4.89 116.67 118.75 2w3m s ASP 168 Ca -0.05 1.21 -0.31 0.00 0.71 0.00 0.00 52.55 54.11 2w3m s ASP 168 Cb 0.09 -2.34 -0.11 0.00 1.01 0.00 0.00 42.92 41.56 2w3m s ASP 168 CO 0.83 -0.80 1.64 -0.69 0.21 0.00 0.00 175.17 176.36 2w3m s VAL 169 N -3.03 2.11 0.22 -1.27 1.01 -1.26 -4.73 120.40 113.45 2w3m s VAL 169 Ca 0.52 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.64 2w3m s VAL 169 Cb -0.11 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 2w3m s VAL 169 CO 0.50 0.01 0.32 -1.10 0.00 0.00 0.00 175.10 174.84 2w3m s GLN 170 N 0.25 3.39 -0.10 2.72 -1.52 0.18 -4.96 119.66 119.62 2w3m s GLN 170 Ca 0.68 -0.74 -0.04 0.00 -1.95 0.00 0.00 55.36 53.30 2w3m s GLN 170 Cb -0.48 -2.88 0.05 0.00 -0.22 0.00 0.00 33.01 29.48 2w3m s GLN 170 CO 0.41 0.45 0.21 -2.00 -0.25 0.00 0.00 175.29 174.11 2w3m s GLU 171 N -3.76 0.14 -0.01 2.91 2.12 -1.26 -1.36 118.70 117.49 2w3m s GLU 171 Ca 0.34 0.52 0.01 0.00 0.36 0.00 0.00 54.97 56.20 2w3m s GLU 171 Cb -0.09 -0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.15 2w3m s GLU 171 CO 0.28 -0.20 -0.03 -1.21 -0.54 0.00 0.00 175.26 173.56 2w3m s GLU 172 N 1.54 0.32 -1.36 4.30 2.02 -0.79 -4.85 118.70 119.88 2w3m s GLU 172 Ca -0.06 -0.11 -0.10 0.00 0.02 0.00 0.00 54.97 54.72 2w3m s GLU 172 Cb -0.11 -0.33 0.07 0.00 0.10 0.00 0.00 34.13 33.86 2w3m s GLU 172 CO -0.08 0.05 0.56 1.63 0.02 0.00 0.00 175.26 177.45 2w3m n LYS 173 N 3.16 -3.71 -0.93 1.61 5.02 -1.26 -1.08 118.16 120.96 2w3m n LYS 173 Ca -0.15 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 2w3m n LYS 173 Cb 0.57 -5.26 0.00 0.00 -0.02 0.00 0.00 35.03 30.32 2w3m n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2w3m n GLY 174 N -1.27 0.43 3.48 0.72 0.00 -1.26 -5.01 105.19 102.29 2w3m n GLY 174 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2w3m n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2w3m s ILE 175 N -2.10 4.32 0.09 -0.61 1.01 -0.24 -5.10 121.20 118.57 2w3m s ILE 175 Ca 0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 60.65 60.33 2w3m s ILE 175 Cb 0.00 -2.99 -0.06 0.00 0.01 0.00 0.00 42.46 39.41 2w3m s ILE 175 CO 0.00 0.38 0.49 -0.54 0.00 0.00 0.00 174.94 175.27 2w3m s LYS 176 N 1.26 3.94 0.15 2.79 1.02 -1.26 -1.89 119.74 125.76 2w3m s LYS 176 Ca 0.04 0.43 -0.16 0.00 0.02 0.00 0.00 55.97 56.31 2w3m s LYS 176 Cb -0.15 -3.05 0.03 0.00 -0.52 0.00 0.00 37.83 34.14 2w3m s LYS 176 CO 0.03 0.57 0.43 1.52 -0.92 0.00 0.00 175.35 176.97 2w3m s TYR 177 N -1.32 -0.10 0.01 3.18 -0.85 -0.47 -0.97 117.35 116.83 2w3m s TYR 177 Ca 0.32 -0.23 -0.02 0.00 -0.52 0.00 0.00 57.07 56.62 2w3m s TYR 177 Cb -0.16 0.27 -0.01 0.00 0.38 0.00 0.00 41.96 42.44 2w3m s TYR 177 CO 0.18 -0.78 0.03 -1.59 -1.52 0.00 0.00 175.55 171.87 2w3m s LYS 178 N -3.85 0.31 -0.15 -3.49 -2.85 -0.64 -0.64 119.74 108.42 2w3m s LYS 178 Ca 0.07 -0.43 -0.19 0.00 -1.00 0.00 0.00 55.97 54.42 2w3m s LYS 178 Cb 0.01 0.12 -0.04 0.00 -2.06 0.00 0.00 37.83 35.86 2w3m s LYS 178 CO -0.07 -0.06 0.54 -0.06 0.10 0.00 0.00 175.35 175.80 2w3m s PHE 179 N -1.15 3.45 0.14 1.78 0.08 -1.26 -0.75 117.98 120.26 2w3m s PHE 179 Ca -0.13 0.90 0.11 0.00 0.12 0.00 0.00 56.93 57.94 2w3m s PHE 179 Cb -0.08 -2.66 -0.04 0.00 -0.57 0.00 0.00 43.02 39.67 2w3m s PHE 179 CO -0.00 0.02 -0.26 -1.21 -0.10 0.00 0.00 175.22 173.67 2w3m s GLU 180 N 1.18 1.45 -0.10 0.44 2.02 0.50 -4.86 118.70 119.33 2w3m s GLU 180 Ca 0.27 -1.36 0.01 0.00 0.02 0.00 0.00 54.97 53.91 2w3m s GLU 180 Cb -0.16 -1.91 0.02 0.00 0.10 0.00 0.00 34.13 32.18 2w3m s GLU 180 CO 0.11 0.44 -0.12 0.08 0.02 0.00 0.00 175.26 175.80 2w3m s VAL 181 N -1.16 1.23 0.15 2.63 1.01 -1.26 -1.19 120.40 121.82 2w3m s VAL 181 Ca 0.15 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.72 2w3m s VAL 181 Cb -0.10 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 2w3m s VAL 181 CO 0.07 0.39 -0.03 -0.31 0.00 0.00 0.00 175.10 175.22 2w3m s TYR 182 N 1.09 2.82 -0.04 5.22 1.51 0.04 -1.03 117.35 126.96 2w3m s TYR 182 Ca -0.06 -0.14 -0.04 0.00 -1.01 0.00 0.00 57.07 55.82 2w3m s TYR 182 Cb -0.14 -1.40 0.01 0.00 -0.11 0.00 0.00 41.96 40.32 2w3m s TYR 182 CO -0.02 0.50 0.11 -2.00 -1.11 0.00 0.00 175.55 173.03 2w3m s GLU 183 N -2.73 0.15 0.13 -0.62 2.12 -0.20 -1.10 118.70 116.46 2w3m s GLU 183 Ca 0.26 0.12 0.08 0.00 0.36 0.00 0.00 54.97 55.79 2w3m s GLU 183 Cb -0.10 0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.32 2w3m s GLU 183 CO 0.17 -0.02 -0.18 -1.59 -0.54 0.00 0.00 175.26 173.10 2w3m s LYS 184 N -0.02 1.15 -0.01 4.30 -2.85 -0.53 -1.35 119.74 120.42 2w3m s LYS 184 Ca -0.01 -1.27 0.07 0.00 -1.00 0.00 0.00 55.97 53.76 2w3m s LYS 184 Cb -0.01 -1.23 -0.10 0.00 -2.06 0.00 0.00 37.83 34.43 2w3m s LYS 184 CO 0.00 0.26 0.14 0.09 0.10 0.00 0.00 175.35 175.94 2w3m n ASN 185 N 0.65 3.52 -0.07 0.03 3.02 -1.26 -1.96 115.26 119.19 2w3m n ASN 185 Ca -0.16 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.40 2w3m n ASN 185 Cb 0.56 1.29 0.01 0.00 -0.61 0.00 0.00 39.78 41.03 2w3m n ASN 185 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11