#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpi n SER 2 N 0.00 0.00 -1.87 7.83 7.64 -1.26 -5.15 113.62 120.81 1wpi n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wpi n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wpi n SER 2 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1wpi n PHE 3 N -1.74 -4.75 0.03 1.43 3.72 -1.26 -4.68 117.46 110.21 1wpi n PHE 3 Ca 0.00 2.55 -0.21 0.00 -0.05 0.00 0.00 57.45 59.74 1wpi n PHE 3 Cb 0.00 -3.65 -0.14 0.00 -0.94 0.00 0.00 39.48 34.75 1wpi n PHE 3 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 176.76 175.22 1wpi h TRP 4 N 3.22 0.50 0.00 1.38 4.06 -2.01 -3.30 115.95 119.81 1wpi h TRP 4 Ca 0.00 -0.37 0.00 0.00 2.06 0.00 0.00 58.89 60.58 1wpi h TRP 4 Cb 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.14 1wpi h TRP 4 CO 0.00 1.50 -0.29 1.63 -3.56 0.00 0.00 178.44 177.72 1wpi n LYS 5 N -3.95 0.07 -1.33 0.49 4.76 -1.26 -5.04 118.16 111.90 1wpi n LYS 5 Ca -0.22 0.04 0.16 0.00 -2.87 0.00 0.00 58.31 55.42 1wpi n LYS 5 Cb 0.90 -1.56 -0.06 0.00 -1.84 0.00 0.00 35.03 32.47 1wpi n LYS 5 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1wpi n THR 6 N -1.68 -0.02 -1.51 -0.18 -1.04 -1.24 -4.95 114.28 103.65 1wpi n THR 6 Ca 0.06 0.44 0.00 0.00 -2.04 0.00 0.00 64.05 62.50 1wpi n THR 6 Cb 0.36 -0.86 0.00 0.00 -1.82 0.00 0.00 70.33 68.01 1wpi n THR 6 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1wpi n LEU 7 N -4.02 -4.57 -4.81 -4.42 7.94 -1.26 -4.99 117.00 100.88 1wpi n LEU 7 Ca -0.04 2.02 -0.30 0.00 -1.11 0.00 0.00 56.01 56.58 1wpi n LEU 7 Cb 0.66 -2.35 0.09 0.00 0.53 0.00 0.00 43.42 42.36 1wpi n LEU 7 CO 0.03 -1.16 0.71 0.00 -1.11 0.00 0.00 177.39 175.86 1wpi s GLN 8 N -1.50 2.02 -0.41 1.96 -2.07 -1.26 -4.54 119.66 113.86 1wpi s GLN 8 Ca 0.00 0.59 -0.17 0.00 -1.82 0.00 0.00 55.36 53.96 1wpi s GLN 8 Cb 0.00 -1.91 0.02 0.00 -1.09 0.00 0.00 33.01 30.03 1wpi s GLN 8 CO 0.00 -1.66 0.51 0.54 -1.32 0.00 0.00 175.29 173.37 1wpi n ARG 9 N -3.45 -2.42 -2.91 9.60 3.00 -1.26 -4.94 116.66 114.27 1wpi n ARG 9 Ca 0.07 2.09 -0.40 0.00 -0.01 0.00 0.00 57.85 59.60 1wpi n ARG 9 Cb 0.57 -5.02 -0.05 0.00 0.00 0.00 0.00 32.46 27.96 1wpi n ARG 9 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 1wpi s GLN 10 N -2.42 4.57 0.46 5.56 -2.07 -1.26 -4.92 119.66 119.58 1wpi s GLN 10 Ca 0.23 1.19 -0.21 0.00 -1.82 0.00 0.00 55.36 54.74 1wpi s GLN 10 Cb -0.05 -3.34 -0.09 0.00 -1.09 0.00 0.00 33.01 28.43 1wpi s GLN 10 CO 0.77 0.33 1.04 -1.25 -1.32 0.00 0.00 175.29 174.86 1wpi s PRO 11 N -0.28 3.91 -0.22 9.60 0.04 -1.26 -4.88 135.00 141.91 1wpi s PRO 11 Ca 0.40 1.41 -0.18 0.00 0.04 0.00 0.00 61.00 62.67 1wpi s PRO 11 Cb -0.22 -2.24 -0.15 0.00 0.04 0.00 0.00 34.50 31.93 1wpi s PRO 11 CO 0.25 -0.34 -0.00 -2.13 0.04 0.00 0.00 177.00 174.82 1wpi n ARG 12 N -0.68 0.56 -3.12 4.56 0.63 -1.26 -4.84 116.66 112.51 1wpi n ARG 12 Ca 0.08 0.47 -0.42 0.00 -0.92 0.00 0.00 57.85 57.07 1wpi n ARG 12 Cb 0.52 -1.66 -0.07 0.00 0.45 0.00 0.00 32.46 31.70 1wpi n ARG 12 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1wpi s THR 13 N -2.41 4.90 -0.32 5.15 2.01 -1.26 -4.14 115.64 119.56 1wpi s THR 13 Ca -0.30 0.53 -0.09 0.00 0.31 0.00 0.00 61.69 62.14 1wpi s THR 13 Cb 0.08 -4.07 0.01 0.00 0.01 0.00 0.00 72.50 68.53 1wpi s THR 13 CO 0.52 -0.32 0.14 -0.63 -0.69 0.00 0.00 174.62 173.63 1wpi s ILE 14 N 2.69 4.31 -0.51 1.82 -1.09 -1.22 -3.54 121.20 123.66 1wpi s ILE 14 Ca 0.24 -0.69 -0.16 0.00 -2.23 0.00 0.00 60.65 57.81 1wpi s ILE 14 Cb -0.15 -3.28 0.10 0.00 -1.58 0.00 0.00 42.46 37.55 1wpi s ILE 14 CO 0.15 -0.03 0.45 -0.44 -1.23 0.00 0.00 174.94 173.85 1wpi s SER 15 N 1.54 6.17 -0.16 3.58 0.01 0.37 0.11 113.70 125.33 1wpi s SER 15 Ca 0.03 -1.52 -0.05 0.00 1.31 0.00 0.00 55.95 55.72 1wpi s SER 15 Cb -0.18 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 1wpi s SER 15 CO 0.05 -0.76 0.00 -0.76 0.41 0.00 0.00 173.24 172.19 1wpi s LEU 16 N 1.68 3.50 0.07 2.44 1.43 0.34 0.17 118.68 128.31 1wpi s LEU 16 Ca 0.04 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 1wpi s LEU 16 Cb -0.27 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 1wpi s LEU 16 CO 0.05 0.20 0.15 -0.36 0.23 0.00 0.00 176.35 176.61 1wpi s PHE 17 N 0.21 3.35 -0.09 0.29 0.08 0.28 -1.68 117.98 120.42 1wpi s PHE 17 Ca 0.00 0.16 -0.04 0.00 0.12 0.00 0.00 56.93 57.18 1wpi s PHE 17 Cb -0.13 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.59 1wpi s PHE 17 CO 0.02 0.56 0.07 0.99 -0.10 0.00 0.00 175.22 176.76 1wpi s THR 18 N -1.45 4.89 -0.41 0.64 2.01 0.25 -2.16 115.64 119.41 1wpi s THR 18 Ca 0.32 -0.08 0.09 0.00 0.31 0.00 0.00 61.69 62.34 1wpi s THR 18 Cb -0.13 -3.12 0.30 0.00 0.01 0.00 0.00 72.50 69.57 1wpi s THR 18 CO 0.25 0.57 0.76 0.59 -0.69 0.00 0.00 174.62 176.10 1wpi n ASN 19 N 1.92 -0.38 -1.30 3.53 3.02 -1.21 -3.69 115.26 117.15 1wpi n ASN 19 Ca -0.18 -3.08 0.15 0.00 -0.03 0.00 0.00 54.58 51.44 1wpi n ASN 19 Cb 0.54 0.13 -0.08 0.00 -0.61 0.00 0.00 39.78 39.76 1wpi n ASN 19 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1wpi n ASP 20 N 0.79 -6.61 0.00 6.41 2.03 -1.26 -2.47 116.55 115.44 1wpi n ASP 20 Ca 0.19 1.18 0.00 0.00 0.52 0.00 0.00 54.79 56.68 1wpi n ASP 20 Cb 0.63 -4.40 0.00 0.00 -0.72 0.00 0.00 41.12 36.62 1wpi n ASP 20 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1wpi n ILE 21 N -4.12 0.00 -0.64 5.18 -5.35 -1.26 -3.04 119.36 110.14 1wpi n ILE 21 Ca -0.07 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1wpi n ILE 21 Cb 0.58 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.48 1wpi n ILE 21 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wpi n ALA 22 N -3.00 0.00 -0.68 -1.28 0.00 -1.26 -4.77 120.51 109.53 1wpi n ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wpi n ALA 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1wpi n ALA 22 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wpi n SER 23 N 0.00 0.00 -4.43 0.00 2.88 -1.26 -3.05 113.62 107.76 1wpi n SER 23 Ca 0.00 0.32 -0.44 0.00 -1.33 0.00 0.00 58.87 57.42 1wpi n SER 23 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1wpi n SER 23 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1wpi s ASN 24 N -2.03 6.35 0.46 -3.46 0.01 -1.26 -4.86 114.94 110.14 1wpi s ASN 24 Ca 0.00 -1.48 0.25 0.00 -0.71 0.00 0.00 52.86 50.92 1wpi s ASN 24 Cb 0.00 -2.38 1.28 0.00 0.41 0.00 0.00 41.25 40.56 1wpi s ASN 24 CO 0.00 -1.23 1.81 0.40 -1.51 0.00 0.00 177.10 176.57 1wpi h ILE 25 N 5.89 0.51 0.00 0.60 5.03 -1.91 2.07 117.51 129.69 1wpi h ILE 25 Ca -0.13 -0.08 -0.02 0.00 -0.12 0.00 0.00 64.86 64.51 1wpi h ILE 25 Cb 1.06 0.26 -0.00 0.00 -3.03 0.00 0.00 36.82 35.10 1wpi h ILE 25 CO 1.13 0.04 -0.23 0.11 -0.68 0.00 0.00 178.15 178.52 1wpi h LYS 26 N 0.23 0.00 0.34 2.37 6.56 -1.90 -3.19 116.57 120.97 1wpi h LYS 26 Ca 0.55 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 60.12 1wpi h LYS 26 Cb 1.72 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.38 1wpi h LYS 26 CO -0.16 0.34 -0.19 0.77 -2.06 0.00 0.00 179.45 178.14 1wpi h SER 27 N -1.00 -0.47 -1.72 0.86 0.02 -1.67 -2.16 113.55 107.41 1wpi h SER 27 Ca -0.04 0.02 0.52 0.00 -0.84 0.00 0.00 61.79 61.45 1wpi h SER 27 Cb 0.47 0.13 -0.09 0.00 0.14 0.00 0.00 62.40 63.05 1wpi h SER 27 CO -0.02 -0.30 1.21 -0.61 -1.14 0.00 0.00 176.83 175.97 1wpi h GLN 28 N -0.49 0.02 0.00 3.45 5.75 0.31 0.57 115.11 124.72 1wpi h GLN 28 Ca -0.05 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1wpi h GLN 28 Cb 0.39 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.93 1wpi h GLN 28 CO 0.06 0.01 0.00 1.63 -2.65 0.00 0.00 178.83 177.88 1wpi n LYS 29 N -4.17 0.00 -0.11 1.69 4.76 -0.82 -3.63 118.16 115.88 1wpi n LYS 29 Ca 0.41 0.02 -0.24 0.00 -2.87 0.00 0.00 58.31 55.63 1wpi n LYS 29 Cb 1.79 -0.56 -0.11 0.00 -1.84 0.00 0.00 35.03 34.31 1wpi n LYS 29 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wpi n LEU 31 N -4.39 0.21 0.09 0.00 7.99 0.18 0.33 117.00 121.41 1wpi n LEU 31 Ca -0.37 1.14 -0.22 0.00 -0.01 0.00 0.00 56.01 56.55 1wpi n LEU 31 Cb 0.72 -0.54 -0.15 0.00 -0.11 0.00 0.00 43.42 43.34 1wpi n LEU 31 CO 0.15 -1.27 -0.14 1.56 -1.51 0.00 0.00 177.39 176.18 1wpi h GLN 32 N 0.00 0.40 -0.85 3.23 1.08 -1.05 -1.43 115.11 116.49 1wpi h GLN 32 Ca 0.57 -0.68 0.07 0.00 -1.45 0.00 0.00 58.65 57.15 1wpi h GLN 32 Cb 1.48 0.25 -0.06 0.00 -0.05 0.00 0.00 27.48 29.10 1wpi h GLN 32 CO -0.54 1.33 0.53 1.25 -0.95 0.00 0.00 178.83 180.44 1wpi h LEU 33 N -0.14 0.82 0.00 1.46 6.46 0.56 0.18 115.31 124.65 1wpi h LEU 33 Ca -0.21 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 1wpi h LEU 33 Cb 1.89 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 41.67 1wpi h LEU 33 CO 0.20 0.52 -0.13 -0.07 -0.62 0.00 0.00 178.44 178.33 1wpi h LEU 34 N 0.95 0.00 0.00 2.25 4.07 0.98 -3.15 115.31 120.41 1wpi h LEU 34 Ca 0.38 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.31 1wpi h LEU 34 Cb 0.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1wpi h LEU 34 CO -0.18 0.01 0.00 1.17 -1.08 0.00 0.00 178.44 178.36 1wpi n LYS 35 N -2.51 0.01 -3.24 1.13 3.00 0.63 -4.24 118.16 112.94 1wpi n LYS 35 Ca 0.05 0.34 0.04 0.00 -0.00 0.00 0.00 58.31 58.73 1wpi n LYS 35 Cb 0.47 -1.50 -0.02 0.00 0.00 0.00 0.00 35.03 33.98 1wpi n LYS 35 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1wpi s GLY 36 N -2.72 -0.64 0.00 3.14 0.00 -1.19 -5.04 107.32 100.87 1wpi s GLY 36 Ca 0.01 2.38 0.00 0.00 0.00 0.00 0.00 44.72 47.11 1wpi s GLY 36 CO 0.03 3.47 0.00 1.34 0.00 0.00 0.00 173.10 177.94 1wpi n ASP 37 N 5.38 0.00 0.00 1.64 -0.08 -1.26 -4.89 116.55 117.34 1wpi n ASP 37 Ca -0.05 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 1wpi n ASP 37 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 1wpi n ASP 37 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1wpi n VAL 38 N 0.00 0.00 -0.79 5.18 0.31 -1.26 -5.08 118.33 116.70 1wpi n VAL 38 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1wpi n VAL 38 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1wpi n VAL 38 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1wpi n SER 39 N 0.00 0.00 -4.13 4.52 2.88 -1.26 -5.02 113.62 110.60 1wpi n SER 39 Ca 0.00 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.37 1wpi n SER 39 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 1wpi n SER 39 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1wpi s HIS 40 N 3.47 1.07 0.00 0.66 2.46 -1.26 -4.23 115.29 117.45 1wpi s HIS 40 Ca 0.00 -0.43 0.00 0.00 0.47 0.00 0.00 55.06 55.10 1wpi s HIS 40 Cb 0.00 -0.61 0.00 0.00 -0.13 0.00 0.00 32.58 31.84 1wpi s HIS 40 CO 0.00 0.02 0.00 0.54 -2.47 0.00 0.00 174.74 172.83 1wpi n ARG 41 N 1.51 0.00 -3.99 2.88 5.12 -1.26 -5.06 116.66 115.86 1wpi n ARG 41 Ca -0.21 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.45 1wpi n ARG 41 Cb 0.54 -0.12 -0.02 0.00 -1.16 0.00 0.00 32.46 31.71 1wpi n ARG 41 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1wpi s PHE 42 N -1.39 1.78 -0.28 -1.55 0.40 -1.26 -5.10 117.98 110.58 1wpi s PHE 42 Ca 0.00 -0.82 -0.15 0.00 -0.60 0.00 0.00 56.93 55.36 1wpi s PHE 42 Cb 0.00 -1.90 -0.03 0.00 0.51 0.00 0.00 43.02 41.60 1wpi s PHE 42 CO 0.00 -0.33 0.39 -0.51 0.70 0.00 0.00 175.22 175.48 1wpi s ASP 43 N -4.20 6.26 0.05 1.36 1.01 -1.26 -4.92 116.67 114.98 1wpi s ASP 43 Ca 0.32 0.22 -0.19 0.00 0.71 0.00 0.00 52.55 53.61 1wpi s ASP 43 Cb -0.01 -2.22 -0.06 0.00 1.01 0.00 0.00 42.92 41.63 1wpi s ASP 43 CO 0.19 -0.23 0.56 -0.69 0.21 0.00 0.00 175.17 175.21 1wpi s VAL 44 N 2.11 4.79 -0.33 -1.27 1.01 -1.26 -3.45 120.40 121.99 1wpi s VAL 44 Ca 0.15 1.19 -0.09 0.00 0.00 0.00 0.00 61.98 63.23 1wpi s VAL 44 Cb -0.16 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.34 1wpi s VAL 44 CO 0.10 0.53 0.15 -1.61 0.00 0.00 0.00 175.10 174.28 1wpi s GLU 45 N -0.95 3.09 -0.35 2.72 8.01 0.12 -4.99 118.70 126.34 1wpi s GLU 45 Ca 0.29 -0.88 0.02 0.00 0.01 0.00 0.00 54.97 54.41 1wpi s GLU 45 Cb -0.19 -3.56 0.10 0.00 -4.31 0.00 0.00 34.13 26.17 1wpi s GLU 45 CO 0.18 -0.52 0.08 0.42 0.01 0.00 0.00 175.26 175.44 1wpi s ILE 46 N 1.56 2.56 -0.01 -1.63 1.09 -1.24 0.13 121.20 123.65 1wpi s ILE 46 Ca 0.03 -2.22 -0.01 0.00 -1.10 0.00 0.00 60.65 57.36 1wpi s ILE 46 Cb -0.18 -2.82 0.00 0.00 -1.06 0.00 0.00 42.46 38.40 1wpi s ILE 46 CO 0.05 -0.59 0.02 0.00 -0.10 0.00 0.00 174.94 174.32 1wpi s ALA 47 N 0.98 -0.04 -0.32 9.38 0.00 -0.68 -4.96 121.76 126.12 1wpi s ALA 47 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 51.96 51.93 1wpi s ALA 47 Cb -0.20 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1wpi s ALA 47 CO -0.07 -0.02 0.22 0.54 0.00 0.00 0.00 175.76 176.43 1wpi s ASN 48 N -0.12 6.03 -0.05 0.00 2.20 -1.26 0.86 114.94 122.61 1wpi s ASN 48 Ca -0.01 -0.28 -0.29 0.00 -0.94 0.00 0.00 52.86 51.33 1wpi s ASN 48 Cb -0.01 -2.13 0.10 0.00 -2.00 0.00 0.00 41.25 37.22 1wpi s ASN 48 CO -0.00 -0.17 0.88 -0.60 -2.94 0.00 0.00 177.10 174.27 1wpi s ARG 49 N 1.73 0.81 -0.33 3.55 6.06 -1.24 -4.80 118.95 124.74 1wpi s ARG 49 Ca 0.06 -0.11 -0.28 0.00 -2.50 0.00 0.00 55.73 52.90 1wpi s ARG 49 Cb -0.17 0.38 -0.02 0.00 0.06 0.00 0.00 34.95 35.20 1wpi s ARG 49 CO 0.11 -0.32 1.74 -0.59 -2.50 0.00 0.00 175.30 173.74 1wpi s PHE 50 N -2.33 1.90 -1.07 5.12 -0.71 -1.26 -4.76 117.98 114.87 1wpi s PHE 50 Ca 0.01 0.61 -0.07 0.00 -1.04 0.00 0.00 56.93 56.44 1wpi s PHE 50 Cb -0.01 -4.14 -0.08 0.00 -1.21 0.00 0.00 43.02 37.58 1wpi s PHE 50 CO -0.04 -2.87 2.52 -0.35 -1.34 0.00 0.00 175.22 173.15 1wpi n PRO 51 N 8.32 2.62 -0.67 1.99 -0.04 -1.26 -4.92 135.00 141.04 1wpi n PRO 51 Ca 0.22 -1.65 -0.29 0.00 -0.04 0.00 0.00 63.50 61.74 1wpi n PRO 51 Cb 0.47 -2.51 0.21 0.00 -0.04 0.00 0.00 33.50 31.62 1wpi n PRO 51 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1wpi s THR 52 N 2.71 2.12 0.21 0.52 -4.23 -1.26 -4.70 115.64 111.00 1wpi s THR 52 Ca 0.52 0.04 0.28 0.00 -1.18 0.00 0.00 61.69 61.35 1wpi s THR 52 Cb 0.15 -2.13 0.30 0.00 1.34 0.00 0.00 72.50 72.16 1wpi s THR 52 CO -0.04 -0.05 1.94 -0.50 -0.54 0.00 0.00 174.62 175.43 1wpi h TRP 53 N -2.22 0.00 -0.26 3.99 4.06 -1.93 -0.85 115.95 118.73 1wpi h TRP 53 Ca -0.53 0.00 0.05 0.00 2.06 0.00 0.00 58.89 60.47 1wpi h TRP 53 Cb 1.30 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 29.39 1wpi h TRP 53 CO 0.37 0.13 -0.45 -0.44 -3.56 0.00 0.00 178.44 174.50 1wpi h ASP 54 N 0.00 -1.45 0.00 -3.49 5.19 -1.96 2.66 116.42 117.38 1wpi h ASP 54 Ca -0.00 0.20 -0.08 0.00 -0.62 0.00 0.00 57.03 56.53 1wpi h ASP 54 Cb 0.57 0.60 -0.01 0.00 0.18 0.00 0.00 39.33 40.67 1wpi h ASP 54 CO 0.02 -0.41 -0.50 1.56 -3.12 0.00 0.00 179.24 176.79 1wpi h GLN 55 N -0.43 0.00 0.00 3.56 4.20 -1.90 -3.30 115.11 117.24 1wpi h GLN 55 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1wpi h GLN 55 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1wpi h GLN 55 CO -0.49 0.72 0.24 1.25 -0.67 0.00 0.00 178.83 179.88 1wpi h LEU 56 N -1.00 0.00 -1.54 1.46 6.46 -1.14 -2.34 115.31 117.21 1wpi h LEU 56 Ca -0.12 0.00 0.46 0.00 -0.12 0.00 0.00 57.88 58.10 1wpi h LEU 56 Cb 0.89 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 40.75 1wpi h LEU 56 CO -0.07 0.00 1.09 1.67 -0.62 0.00 0.00 178.44 180.51 1wpi n GLN 57 N -2.89 -0.01 0.01 1.25 -0.06 0.89 0.22 117.38 116.80 1wpi n GLN 57 Ca -0.02 0.92 -0.13 0.00 -2.00 0.00 0.00 57.00 55.77 1wpi n GLN 57 Cb 0.29 -2.06 -0.10 0.00 -4.06 0.00 0.00 30.24 24.31 1wpi n GLN 57 CO 0.00 0.00 0.00 1.88 -0.20 0.00 0.00 177.06 178.74 1wpi h TYR 58 N 0.00 -0.07 -0.08 3.69 0.05 -1.65 -3.11 116.97 115.79 1wpi h TYR 58 Ca 0.77 -0.00 -0.22 0.00 0.05 0.00 0.00 58.73 59.32 1wpi h TYR 58 Cb 2.97 0.02 0.01 0.00 1.01 0.00 0.00 36.73 40.74 1wpi h TYR 58 CO -0.00 0.44 -0.85 0.52 -1.05 0.00 0.00 178.16 177.22 1wpi h MET 59 N -0.63 0.64 -0.19 4.88 2.86 0.25 -3.00 114.93 119.75 1wpi h MET 59 Ca -0.01 -0.57 0.06 0.00 -2.06 0.00 0.00 59.70 57.11 1wpi h MET 59 Cb 0.54 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1wpi h MET 59 CO 0.01 1.19 0.38 -0.09 1.06 0.00 0.00 176.91 179.46 1wpi h ARG 60 N 0.41 0.00 0.11 1.72 2.43 0.89 0.84 114.38 120.78 1wpi h ARG 60 Ca -0.07 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.81 1wpi h ARG 60 Cb 1.47 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.02 1wpi h ARG 60 CO 0.16 0.00 -1.53 1.79 -1.51 0.00 0.00 179.97 178.89 1wpi h THR 61 N 0.00 0.94 0.00 0.20 1.35 -1.45 -3.33 112.91 110.62 1wpi h THR 61 Ca 0.09 -2.38 -0.00 0.00 -0.55 0.00 0.00 66.41 63.57 1wpi h THR 61 Cb 0.84 2.64 -0.00 0.00 -1.73 0.00 0.00 68.15 69.90 1wpi h THR 61 CO -0.00 0.72 -0.00 0.28 -0.25 0.00 0.00 175.52 176.26 1wpi h SER 62 N -0.26 0.00 -3.61 5.36 0.02 -0.72 -3.42 113.55 110.92 1wpi h SER 62 Ca -0.33 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.19 1wpi h SER 62 Cb 1.80 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 64.01 1wpi h SER 62 CO 0.05 0.00 -0.78 0.00 -1.14 0.00 0.00 176.83 174.96 1wpi h PRO 64 N 6.77 0.29 -0.63 0.00 0.13 -1.82 -3.02 132.00 133.72 1wpi h PRO 64 Ca -0.35 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1wpi h PRO 64 Cb 1.17 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1wpi h PRO 64 CO 0.48 0.97 0.00 1.04 -0.23 0.00 0.00 178.00 180.26 1wpi n GLN 65 N -3.74 3.26 0.09 0.86 6.02 -1.26 -4.43 117.38 118.17 1wpi n GLN 65 Ca -0.04 -2.39 -0.12 0.00 -0.01 0.00 0.00 57.00 54.44 1wpi n GLN 65 Cb 0.77 -1.78 -0.05 0.00 1.02 0.00 0.00 30.24 30.19 1wpi n GLN 65 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1wpi h GLY 66 N 4.45 -0.29 0.25 1.08 0.00 -1.80 0.13 103.07 106.89 1wpi h GLY 66 Ca 0.00 0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 1wpi h GLY 66 CO 0.19 -0.17 -0.02 -0.56 0.00 0.00 0.00 176.54 175.98 1wpi h PRO 67 N -0.32 -0.06 -1.14 4.80 0.13 -1.81 -3.17 132.00 130.43 1wpi h PRO 67 Ca 0.03 0.00 0.33 0.00 -0.87 0.00 0.00 66.00 65.49 1wpi h PRO 67 Cb 0.35 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.45 1wpi h PRO 67 CO -0.12 0.58 0.81 -0.24 -0.23 0.00 0.00 178.00 178.80 1wpi h VAL 68 N -0.81 0.43 -0.14 1.56 3.04 -1.80 1.73 116.25 120.26 1wpi h VAL 68 Ca -0.01 -0.02 -0.11 0.00 -1.01 0.00 0.00 66.70 65.56 1wpi h VAL 68 Cb 0.66 0.38 -0.01 0.00 -2.01 0.00 0.00 31.29 30.31 1wpi h VAL 68 CO 0.01 0.01 -0.40 -1.28 -1.01 0.00 0.00 177.57 174.89 1wpi h SER 69 N 0.05 0.34 0.12 3.17 0.87 -0.72 0.47 113.55 117.86 1wpi h SER 69 Ca 0.56 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.97 1wpi h SER 69 Cb 2.12 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.99 1wpi h SER 69 CO -0.04 0.71 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.84 1wpi h LEU 70 N 0.27 -0.14 -1.15 2.23 3.38 0.25 0.43 115.31 120.58 1wpi h LEU 70 Ca 0.03 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.66 1wpi h LEU 70 Cb 0.83 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 1wpi h LEU 70 CO 0.07 0.47 0.57 0.06 0.09 0.00 0.00 178.44 179.70 1wpi h GLN 71 N -0.95 1.12 0.00 1.13 3.07 -0.98 -0.39 115.11 118.12 1wpi h GLN 71 Ca -0.02 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.66 1wpi h GLN 71 Cb 0.48 -0.25 0.00 0.00 0.08 0.00 0.00 27.48 27.78 1wpi h GLN 71 CO 0.03 0.74 -0.21 0.00 0.09 0.00 0.00 178.83 179.49 1wpi h ARG 72 N 1.16 0.00 -0.55 0.06 2.47 -0.12 -3.28 114.38 114.12 1wpi h ARG 72 Ca 0.32 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.98 1wpi h ARG 72 Cb -0.11 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.19 1wpi h ARG 72 CO -0.08 0.00 0.09 0.37 0.56 0.00 0.00 179.97 180.91 1wpi h GLN 73 N 0.00 0.92 -6.78 0.04 -0.00 0.16 -3.43 115.11 106.02 1wpi h GLN 73 Ca 0.00 -0.25 -0.49 0.00 -0.00 0.00 0.00 58.65 57.91 1wpi h GLN 73 Cb 0.85 -0.11 -0.01 0.00 0.00 0.00 0.00 27.48 28.21 1wpi h GLN 73 CO 0.00 0.89 0.38 -1.50 0.00 0.00 0.00 178.83 178.60 1wpi s ILE 74 N -5.19 3.92 -1.10 2.39 2.07 -1.05 -4.86 121.20 117.38 1wpi s ILE 74 Ca -0.12 1.90 -0.18 0.00 -1.41 0.00 0.00 60.65 60.84 1wpi s ILE 74 Cb 0.12 -4.19 -0.07 0.00 0.13 0.00 0.00 42.46 38.45 1wpi s ILE 74 CO 0.82 0.43 2.09 -0.81 -1.91 0.00 0.00 174.94 175.56 1wpi n PRO 75 N 1.31 2.17 0.00 3.50 -0.04 -1.26 -3.47 135.00 137.20 1wpi n PRO 75 Ca -0.01 -2.18 0.00 0.00 -0.04 0.00 0.00 63.50 61.27 1wpi n PRO 75 Cb 0.47 -3.07 0.00 0.00 -0.04 0.00 0.00 33.50 30.86 1wpi n PRO 75 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1wpi n LYS 76 N 6.44 0.00 -0.10 0.54 4.81 -1.26 -4.94 118.16 123.65 1wpi n LYS 76 Ca 0.51 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.84 1wpi n LYS 76 Cb 0.39 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.36 1wpi n LYS 76 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1wpi h LEU 77 N 0.00 -1.44 -1.03 3.14 -0.00 -1.71 1.52 115.31 115.78 1wpi h LEU 77 Ca 0.00 0.19 0.15 0.00 -0.00 0.00 0.00 57.88 58.21 1wpi h LEU 77 Cb 0.00 0.59 -0.02 0.00 -0.00 0.00 0.00 40.66 41.23 1wpi h LEU 77 CO 0.00 -0.32 0.91 -0.78 -0.00 0.00 0.00 178.44 178.26 1wpi h ASP 78 N -0.32 0.00 0.00 -0.43 1.82 -1.90 8.80 116.42 124.39 1wpi h ASP 78 Ca 0.05 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 1wpi h ASP 78 Cb 0.47 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.48 1wpi h ASP 78 CO -0.46 0.00 -0.21 -1.28 -1.61 0.00 0.00 179.24 175.68 1wpi h SER 79 N 0.00 0.00 0.13 2.28 0.87 0.15 -3.34 113.55 113.65 1wpi h SER 79 Ca 0.24 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.55 1wpi h SER 79 Cb 2.06 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 64.03 1wpi h SER 79 CO -0.00 0.51 -1.23 1.62 -0.53 0.00 0.00 176.83 177.20 1wpi h VAL 80 N -0.81 1.19 0.00 2.23 3.04 0.24 0.48 116.25 122.63 1wpi h VAL 80 Ca 0.00 -2.46 0.00 0.00 -1.01 0.00 0.00 66.70 63.23 1wpi h VAL 80 Cb 0.21 2.88 0.00 0.00 -2.01 0.00 0.00 31.29 32.38 1wpi h VAL 80 CO 0.00 0.71 0.05 -0.11 -1.01 0.00 0.00 177.57 177.21 1wpi n LEU 81 N -3.98 0.00 0.00 3.16 7.94 2.78 -4.02 117.00 122.88 1wpi n LEU 81 Ca -0.21 0.21 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1wpi n LEU 81 Cb 0.89 -0.21 0.00 0.00 0.53 0.00 0.00 43.42 44.63 1wpi n LEU 81 CO 0.44 -0.21 0.00 0.29 -1.11 0.00 0.00 177.39 176.80 1wpi n LYS 82 N -1.16 0.00 0.00 1.96 5.02 -1.01 -4.86 118.16 118.11 1wpi n LYS 82 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1wpi n LYS 82 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.06 1wpi n LYS 82 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1wpi n TYR 83 N 0.00 0.00 0.00 2.13 4.19 -0.70 -5.04 117.16 117.75 1wpi n TYR 83 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1wpi n TYR 83 Cb 0.00 0.08 0.00 0.00 0.49 0.00 0.00 39.34 39.91 1wpi n TYR 83 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 1wpi n LYS 84 N 0.00 2.30 0.26 2.98 4.81 0.16 -3.53 118.16 125.14 1wpi n LYS 84 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1wpi n LYS 84 Cb 0.23 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.28 1wpi n LYS 84 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1wpi n HIS 85 N -0.24 0.00 0.24 5.64 8.25 -1.26 0.13 115.22 127.98 1wpi n HIS 85 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.56 1wpi n HIS 85 Cb 0.00 0.00 0.55 0.00 1.12 0.00 0.00 29.99 31.66 1wpi n HIS 85 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wpi h THR 86 N 0.00 0.00 0.00 1.59 1.03 -1.72 -3.34 112.91 110.46 1wpi h THR 86 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1wpi h THR 86 Cb 1.60 0.45 0.00 0.00 -1.07 0.00 0.00 68.15 69.12 1wpi h THR 86 CO 0.00 0.00 0.00 -0.67 -0.01 0.00 0.00 175.52 174.84 1wpi n ASP 87 N -2.42 0.00 -0.57 0.00 2.03 0.35 -3.81 116.55 112.13 1wpi n ASP 87 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1wpi n ASP 87 Cb 0.35 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 1wpi n ASP 87 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1wpi n PRO 88 N 0.00 0.75 -0.06 -0.67 -0.04 -1.26 -3.51 135.00 130.21 1wpi n PRO 88 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1wpi n PRO 88 Cb 0.00 -1.34 -0.12 0.00 -0.04 0.00 0.00 33.50 32.00 1wpi n PRO 88 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wpi h THR 89 N 0.03 1.59 0.00 0.52 1.03 -1.69 -3.37 112.91 111.02 1wpi h THR 89 Ca 0.00 -2.10 -0.01 0.00 -0.01 0.00 0.00 66.41 64.29 1wpi h THR 89 Cb 0.43 2.96 -0.00 0.00 -1.07 0.00 0.00 68.15 70.47 1wpi h THR 89 CO 0.00 0.52 -1.75 0.49 -0.01 0.00 0.00 175.52 174.77 1wpi n PHE 90 N -4.65 0.26 0.00 0.00 3.72 -1.23 -3.92 117.46 111.63 1wpi n PHE 90 Ca -0.09 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1wpi n PHE 90 Cb 0.42 -0.63 0.00 0.00 -0.94 0.00 0.00 39.48 38.32 1wpi n PHE 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wpi n GLY 91 N 1.25 -0.84 0.01 1.37 0.00 -1.23 -0.68 105.19 105.08 1wpi n GLY 91 Ca -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1wpi n GLY 91 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wpi n MET 92 N 0.00 -0.00 -3.89 1.61 -0.00 -1.26 -1.90 117.12 111.68 1wpi n MET 92 Ca 0.00 0.04 -0.34 0.00 -0.00 0.00 0.00 57.70 57.39 1wpi n MET 92 Cb 0.00 -0.05 -0.13 0.00 -0.00 0.00 0.00 33.22 33.03 1wpi n MET 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1wpi s ASP 93 N -5.00 5.02 -0.19 3.17 1.01 -1.25 -4.40 116.67 115.03 1wpi s ASP 93 Ca -0.00 -1.96 -0.21 0.00 0.71 0.00 0.00 52.55 51.08 1wpi s ASP 93 Cb 0.01 -1.74 -0.18 0.00 1.01 0.00 0.00 42.92 42.02 1wpi s ASP 93 CO 0.02 -0.44 0.26 0.25 0.21 0.00 0.00 175.17 175.47 1wpi h LEU 94 N 7.88 0.00 -2.00 1.23 5.85 -0.18 -3.26 115.31 124.83 1wpi h LEU 94 Ca -0.11 -0.53 0.16 0.00 0.84 0.00 0.00 57.88 58.24 1wpi h LEU 94 Cb 1.04 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1wpi h LEU 94 CO 0.61 1.32 0.40 1.56 -0.34 0.00 0.00 178.44 182.00 1wpi h GLN 95 N -1.00 0.00 0.00 1.25 1.08 -1.87 1.02 115.11 115.59 1wpi h GLN 95 Ca -0.25 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.93 1wpi h GLN 95 Cb 1.16 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.58 1wpi h GLN 95 CO -0.15 0.00 -0.06 0.87 -0.95 0.00 0.00 178.83 178.54 1wpi h LYS 96 N 0.00 0.00 0.00 1.46 1.79 -1.85 5.32 116.57 123.29 1wpi h LYS 96 Ca 0.27 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.44 1wpi h LYS 96 Cb 1.07 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.68 1wpi h LYS 96 CO -0.00 0.06 -1.91 0.00 -1.08 0.00 0.00 179.45 176.52 1wpi n VAL 98 N -4.34 0.56 -0.16 0.00 3.14 0.13 -2.39 118.33 115.27 1wpi n VAL 98 Ca -0.40 0.04 0.22 0.00 -2.96 0.00 0.00 64.34 61.25 1wpi n VAL 98 Cb 0.74 -0.78 0.34 0.00 -1.06 0.00 0.00 33.84 33.08 1wpi n VAL 98 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wpi n GLN 99 N -1.84 0.01 0.00 1.45 -0.00 1.73 -4.21 117.38 114.52 1wpi n GLN 99 Ca 0.05 0.84 0.00 0.00 -0.00 0.00 0.00 57.00 57.89 1wpi n GLN 99 Cb 0.30 -2.09 0.00 0.00 -0.00 0.00 0.00 30.24 28.44 1wpi n GLN 99 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1wpi n ARG 100 N -2.87 0.00 0.00 2.61 0.63 -1.24 -4.96 116.66 110.83 1wpi n ARG 100 Ca 0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 1wpi n ARG 100 Cb 1.25 0.00 0.00 0.00 0.45 0.00 0.00 32.46 34.16 1wpi n ARG 100 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wpi n GLY 101 N 0.00 0.03 3.26 5.14 0.00 -1.01 -4.67 105.19 107.94 1wpi n GLY 101 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1wpi n GLY 101 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wpi n LEU 102 N 0.00 0.00 -3.98 0.99 0.00 -1.25 -4.15 117.00 108.60 1wpi n LEU 102 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 56.01 55.92 1wpi n LEU 102 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.32 1wpi n LEU 102 CO 0.00 0.00 -0.30 0.26 0.00 0.00 0.00 177.39 177.35 1wpi s TRP 103 N 0.00 0.29 -0.55 1.96 0.52 -1.26 -5.11 118.94 114.79 1wpi s TRP 103 Ca 0.00 -0.63 -0.26 0.00 0.02 0.00 0.00 56.10 55.23 1wpi s TRP 103 Cb 0.00 -0.22 0.03 0.00 -1.15 0.00 0.00 33.47 32.14 1wpi s TRP 103 CO 0.00 -0.30 1.06 -0.80 0.02 0.00 0.00 176.95 176.93 1wpi s ASN 104 N -2.03 6.41 0.31 2.95 0.01 -1.26 -4.78 114.94 116.55 1wpi s ASN 104 Ca -0.07 -0.07 0.15 0.00 -0.71 0.00 0.00 52.86 52.16 1wpi s ASN 104 Cb -0.03 -2.49 0.38 0.00 0.41 0.00 0.00 41.25 39.52 1wpi s ASN 104 CO -0.04 -1.33 1.59 1.55 -1.51 0.00 0.00 177.10 177.36 1wpi h PRO 105 N 9.40 0.00 -3.44 -0.60 0.13 -1.87 -3.46 132.00 132.16 1wpi h PRO 105 Ca -0.25 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.80 1wpi h PRO 105 Cb 1.07 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.15 1wpi h PRO 105 CO 1.13 0.52 -0.11 0.36 -0.23 0.00 0.00 178.00 179.66 1wpi n LYS 106 N -3.48 -1.65 -4.06 0.86 0.00 -1.03 -4.78 118.16 104.03 1wpi n LYS 106 Ca 0.00 0.02 -0.31 0.00 -0.00 0.00 0.00 58.31 58.02 1wpi n LYS 106 Cb 0.63 -2.14 -0.06 0.00 -0.00 0.00 0.00 35.03 33.46 1wpi n LYS 106 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1wpi s GLU 107 N -2.77 2.92 -0.16 -1.58 0.41 -1.17 -4.82 118.70 111.53 1wpi s GLU 107 Ca 0.11 -0.65 -0.01 0.00 -0.41 0.00 0.00 54.97 54.00 1wpi s GLU 107 Cb -0.06 -2.75 -0.01 0.00 -1.78 0.00 0.00 34.13 29.52 1wpi s GLU 107 CO 0.13 0.58 -0.10 0.00 -0.49 0.00 0.00 175.26 175.38 1wpi s ALA 108 N -1.36 2.69 -0.12 5.21 0.00 -1.26 -3.34 121.76 123.58 1wpi s ALA 108 Ca 0.28 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 51.21 1wpi s ALA 108 Cb -0.12 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 1wpi s ALA 108 CO 0.21 0.02 0.08 -0.51 0.00 0.00 0.00 175.76 175.55 1wpi s LEU 109 N 0.73 4.01 0.02 0.00 1.43 -0.92 -0.80 118.68 123.14 1wpi s LEU 109 Ca -0.05 0.29 0.05 0.00 -1.03 0.00 0.00 54.13 53.39 1wpi s LEU 109 Cb -0.15 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 1wpi s LEU 109 CO 0.02 0.36 -0.14 -1.66 0.23 0.00 0.00 176.35 175.16 1wpi s TRP 110 N -0.77 1.22 -0.24 0.29 1.48 -0.97 0.98 118.94 120.93 1wpi s TRP 110 Ca 0.13 -0.29 -0.16 0.00 -1.06 0.00 0.00 56.10 54.72 1wpi s TRP 110 Cb -0.12 -0.75 0.07 0.00 -1.16 0.00 0.00 33.47 31.51 1wpi s TRP 110 CO 0.03 0.01 0.61 0.14 -4.06 0.00 0.00 176.95 173.67 1wpi s VAL 111 N -0.60 -0.01 0.01 -0.66 -7.23 0.46 -1.15 120.40 111.22 1wpi s VAL 111 Ca 0.03 0.02 0.05 0.00 -1.81 0.00 0.00 61.98 60.28 1wpi s VAL 111 Cb -0.07 -0.88 -0.03 0.00 0.56 0.00 0.00 36.38 35.97 1wpi s VAL 111 CO 0.00 0.01 -0.15 -0.62 -0.31 0.00 0.00 175.10 174.04 1wpi s ASP 112 N 1.30 4.02 0.00 4.85 2.15 0.75 0.14 116.67 129.88 1wpi s ASP 112 Ca -0.08 -0.30 0.04 0.00 0.43 0.00 0.00 52.55 52.64 1wpi s ASP 112 Cb -0.06 -0.77 0.03 0.00 -0.30 0.00 0.00 42.92 41.83 1wpi s ASP 112 CO -0.14 0.29 0.65 1.87 -0.17 0.00 0.00 175.17 177.67 1wpi n TRP 113 N 1.79 0.01 -0.09 -5.34 -0.00 -1.23 -2.64 117.44 109.95 1wpi n TRP 113 Ca -0.16 -0.04 -0.20 0.00 -0.00 0.00 0.00 57.50 57.10 1wpi n TRP 113 Cb 0.52 -0.00 -0.12 0.00 -0.00 0.00 0.00 31.31 31.71 1wpi n TRP 113 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 1wpi h GLU 114 N 0.72 0.03 -0.09 5.87 4.39 -1.95 -3.39 114.58 120.16 1wpi h GLU 114 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1wpi h GLU 114 Cb 0.19 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1wpi h GLU 114 CO 0.00 1.02 0.00 -1.71 -1.16 0.00 0.00 179.01 177.16 1wpi n ASN 115 N -4.39 2.56 -3.61 1.42 2.85 -1.26 -4.90 115.26 107.94 1wpi n ASN 115 Ca -0.27 -2.53 -0.28 0.00 -0.11 0.00 0.00 54.58 51.38 1wpi n ASN 115 Cb 0.67 -0.27 0.05 0.00 1.24 0.00 0.00 39.78 41.47 1wpi n ASN 115 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1wpi n LYS 116 N -0.67 -1.36 -3.96 1.20 2.85 -1.23 -4.98 118.16 110.01 1wpi n LYS 116 Ca 0.11 0.55 -0.29 0.00 -1.05 0.00 0.00 58.31 57.63 1wpi n LYS 116 Cb 0.51 -4.36 -0.16 0.00 -0.65 0.00 0.00 35.03 30.37 1wpi n LYS 116 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1wpi s LEU 117 N -6.21 1.74 0.14 -5.58 2.96 -1.08 -4.94 118.68 105.71 1wpi s LEU 117 Ca 0.45 -0.61 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 1wpi s LEU 117 Cb -0.15 -1.07 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 1wpi s LEU 117 CO 0.84 -0.12 -0.02 0.68 -1.32 0.00 0.00 176.35 176.40 1wpi s VAL 118 N 1.54 0.67 0.00 1.68 -7.23 -1.26 0.27 120.40 116.06 1wpi s VAL 118 Ca 0.02 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1wpi s VAL 118 Cb -0.14 -1.94 0.00 0.00 0.56 0.00 0.00 36.38 34.86 1wpi s VAL 118 CO -0.09 -0.64 0.00 0.61 -0.31 0.00 0.00 175.10 174.67 1wpi n GLY 119 N -0.15 1.88 3.89 2.32 0.00 -0.30 -4.96 105.19 107.87 1wpi n GLY 119 Ca -0.09 0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1wpi n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wpi s ASN 120 N 0.00 4.98 0.00 1.61 4.22 -1.26 -2.30 114.94 122.19 1wpi s ASN 120 Ca 0.00 0.94 0.00 0.00 -2.14 0.00 0.00 52.86 51.66 1wpi s ASN 120 Cb 0.00 -1.59 0.00 0.00 1.28 0.00 0.00 41.25 40.94 1wpi s ASN 120 CO 0.00 -1.62 0.00 1.21 -2.04 0.00 0.00 177.10 174.65 1wpi n GLU 121 N -3.15 0.00 0.00 3.55 0.00 0.02 -4.38 120.64 116.68 1wpi n GLU 121 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 57.16 57.06 1wpi n GLU 121 Cb 0.59 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.93 1wpi n GLU 121 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 1wpi h PRO 122 N 0.00 0.55 -0.18 5.31 0.13 -1.92 -3.16 132.00 132.75 1wpi h PRO 122 Ca 0.00 -0.54 -0.03 0.00 -0.87 0.00 0.00 66.00 64.56 1wpi h PRO 122 Cb 0.00 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.26 1wpi h PRO 122 CO 0.00 1.16 -0.02 0.00 -0.23 0.00 0.00 178.00 178.92 1wpi h ALA 123 N 0.40 1.65 -0.97 -0.56 0.00 -1.92 -1.54 119.26 116.32 1wpi h ALA 123 Ca -0.08 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.77 1wpi h ALA 123 Cb 1.38 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 1wpi h ALA 123 CO 0.14 0.27 0.62 0.22 0.00 0.00 0.00 179.25 180.50 1wpi h ASP 124 N 0.25 1.00 0.09 0.00 3.58 -1.75 -2.26 116.42 117.34 1wpi h ASP 124 Ca 0.06 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.54 1wpi h ASP 124 Cb 0.21 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.00 1wpi h ASP 124 CO 0.01 0.65 -0.40 0.40 -2.88 0.00 0.00 179.24 177.01 1wpi h ILE 125 N 1.14 0.18 -0.90 2.25 2.04 -1.29 0.14 117.51 121.07 1wpi h ILE 125 Ca 0.41 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.44 1wpi h ILE 125 Cb 0.14 0.18 -0.17 0.00 -0.74 0.00 0.00 36.82 36.23 1wpi h ILE 125 CO -0.16 0.00 -0.26 -0.78 0.00 0.00 0.00 178.15 176.94 1wpi h ASP 126 N -0.62 -0.97 0.59 1.72 3.58 -1.43 2.34 116.42 121.63 1wpi h ASP 126 Ca 0.03 0.28 -0.02 0.00 0.42 0.00 0.00 57.03 57.73 1wpi h ASP 126 Cb 0.66 0.60 -0.01 0.00 1.72 0.00 0.00 39.33 42.30 1wpi h ASP 126 CO -0.25 -0.30 -0.37 0.11 -2.88 0.00 0.00 179.24 175.55 1wpi h LYS 127 N -0.01 -0.88 0.00 0.28 6.56 -1.05 -3.17 116.57 118.30 1wpi h LYS 127 Ca 0.41 0.06 0.00 0.00 -1.06 0.00 0.00 60.65 60.06 1wpi h LYS 127 Cb 0.65 0.20 0.00 0.00 -0.57 0.00 0.00 32.23 32.51 1wpi h LYS 127 CO -0.93 -0.58 0.00 0.66 -2.06 0.00 0.00 179.45 176.54 1wpi n TYR 128 N -5.51 0.00 -3.52 -1.35 4.01 0.75 -4.78 117.16 106.76 1wpi n TYR 128 Ca -0.12 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.33 1wpi n TYR 128 Cb 0.40 -0.02 -0.12 0.00 -0.31 0.00 0.00 39.34 39.28 1wpi n TYR 128 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1wpi s ILE 129 N -0.58 0.59 0.00 -0.72 -5.25 0.76 -4.96 121.20 111.04 1wpi s ILE 129 Ca 0.00 -2.24 0.00 0.00 -0.99 0.00 0.00 60.65 57.42 1wpi s ILE 129 Cb 0.00 -1.42 0.00 0.00 2.95 0.00 0.00 42.46 43.99 1wpi s ILE 129 CO 0.00 -1.03 0.00 2.30 -1.79 0.00 0.00 174.94 174.42 1wpi n ILE 130 N 3.55 0.00 -0.08 8.37 -6.64 -0.21 -4.41 119.36 119.95 1wpi n ILE 130 Ca 0.16 0.00 -0.07 0.00 -1.77 0.00 0.00 62.75 61.07 1wpi n ILE 130 Cb 0.39 0.00 -0.02 0.00 -1.44 0.00 0.00 39.64 38.57 1wpi n ILE 130 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1wpi n GLN 131 N 0.00 0.46 0.06 6.28 10.64 -1.26 -4.40 117.38 129.15 1wpi n GLN 131 Ca 0.00 0.30 -0.03 0.00 -1.83 0.00 0.00 57.00 55.44 1wpi n GLN 131 Cb 0.00 -1.44 -0.01 0.00 -0.86 0.00 0.00 30.24 27.93 1wpi n GLN 131 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.06 175.30 1wpi h ARG 132 N -0.91 -0.16 0.00 2.61 0.11 -1.83 -3.45 114.38 110.74 1wpi h ARG 132 Ca 0.00 0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.09 1wpi h ARG 132 Cb 0.75 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.87 1wpi h ARG 132 CO 0.00 -0.11 0.00 1.17 0.10 0.00 0.00 179.97 181.13