#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpi s SER 2 N 0.00 0.32 -0.30 7.83 0.15 -1.26 -5.11 113.70 115.32 1wpi s SER 2 Ca 0.00 0.34 -0.12 0.00 0.70 0.00 0.00 55.95 56.87 1wpi s SER 2 Cb 0.00 0.26 0.18 0.00 -1.71 0.00 0.00 66.02 64.75 1wpi s SER 2 CO 0.00 -0.20 1.04 0.72 1.20 0.00 0.00 173.24 176.00 1wpi s PHE 3 N 1.77 -0.56 -0.06 3.44 -0.71 -1.26 -5.00 117.98 115.60 1wpi s PHE 3 Ca -0.03 0.54 -0.16 0.00 -1.04 0.00 0.00 56.93 56.24 1wpi s PHE 3 Cb -0.12 0.18 -0.30 0.00 -1.21 0.00 0.00 43.02 41.57 1wpi s PHE 3 CO -0.06 -0.31 0.70 -1.49 -1.34 0.00 0.00 175.22 172.72 1wpi h TRP 4 N 7.89 0.59 0.00 3.49 6.55 -1.99 -3.25 115.95 129.22 1wpi h TRP 4 Ca -0.13 -0.43 0.00 0.00 0.95 0.00 0.00 58.89 59.28 1wpi h TRP 4 Cb 1.17 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 29.45 1wpi h TRP 4 CO 0.05 1.53 0.00 1.63 -1.05 0.00 0.00 178.44 180.60 1wpi n LYS 5 N -3.88 0.09 0.00 0.49 4.76 -1.26 -4.99 118.16 113.37 1wpi n LYS 5 Ca -0.22 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 1wpi n LYS 5 Cb 0.94 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 32.52 1wpi n LYS 5 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1wpi n THR 6 N -1.76 0.00 0.00 -0.18 5.66 -1.23 -4.95 114.28 111.82 1wpi n THR 6 Ca 0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 1wpi n THR 6 Cb 0.33 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.11 1wpi n THR 6 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1wpi n LEU 7 N 0.00 -1.53 -4.52 1.09 -0.00 -1.26 -4.67 117.00 106.12 1wpi n LEU 7 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.73 1wpi n LEU 7 Cb 0.00 0.92 -0.15 0.00 -0.00 0.00 0.00 43.42 44.18 1wpi n LEU 7 CO 0.00 0.00 1.97 1.67 -0.00 0.00 0.00 177.39 181.03 1wpi n GLN 8 N -0.39 0.23 -1.66 1.96 7.27 -1.26 -4.15 117.38 119.38 1wpi n GLN 8 Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 57.00 56.92 1wpi n GLN 8 Cb 0.00 -1.92 0.00 0.00 2.41 0.00 0.00 30.24 30.73 1wpi n GLN 8 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1wpi n ARG 9 N 7.38 -4.73 -3.22 3.69 1.74 -1.26 -4.89 116.66 115.36 1wpi n ARG 9 Ca 0.60 3.50 -0.39 0.00 -0.77 0.00 0.00 57.85 60.79 1wpi n ARG 9 Cb 0.21 -3.92 -0.06 0.00 -1.02 0.00 0.00 32.46 27.67 1wpi n ARG 9 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1wpi s GLN 10 N -3.42 4.31 0.00 5.56 -2.07 -1.26 -4.99 119.66 117.78 1wpi s GLN 10 Ca 0.00 0.69 0.00 0.00 -1.82 0.00 0.00 55.36 54.23 1wpi s GLN 10 Cb 0.00 -3.35 0.00 0.00 -1.09 0.00 0.00 33.01 28.57 1wpi s GLN 10 CO 0.00 0.34 0.00 -0.35 -1.32 0.00 0.00 175.29 173.96 1wpi n PRO 11 N 2.85 -0.47 0.03 9.60 -0.04 -1.26 -4.88 135.00 140.83 1wpi n PRO 11 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1wpi n PRO 11 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1wpi n PRO 11 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1wpi n ARG 12 N -1.22 0.00 -3.47 0.54 0.63 -1.26 -4.98 116.66 106.90 1wpi n ARG 12 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 1wpi n ARG 12 Cb 0.00 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 32.81 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 -2.00 5.26 -0.34 5.15 2.01 -1.26 -3.09 115.64 121.37 1wpi s THR 13 Ca 0.00 -0.53 -0.12 0.00 0.31 0.00 0.00 61.69 61.35 1wpi s THR 13 Cb 0.00 -3.89 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 1wpi s THR 13 CO 0.00 -0.24 0.23 -0.63 -0.69 0.00 0.00 174.62 173.28 1wpi s ILE 14 N 1.72 5.14 -0.50 1.82 -1.09 -1.18 -3.78 121.20 123.34 1wpi s ILE 14 Ca 0.06 -0.28 -0.17 0.00 -2.23 0.00 0.00 60.65 58.03 1wpi s ILE 14 Cb -0.18 -3.65 0.08 0.00 -1.58 0.00 0.00 42.46 37.12 1wpi s ILE 14 CO 0.10 -0.01 0.52 -0.55 -1.23 0.00 0.00 174.94 173.78 1wpi s SER 15 N 1.70 6.18 -0.13 3.58 0.15 0.59 -1.52 113.70 124.25 1wpi s SER 15 Ca 0.06 -1.22 -0.05 0.00 0.70 0.00 0.00 55.95 55.44 1wpi s SER 15 Cb -0.17 -2.24 -0.04 0.00 -1.71 0.00 0.00 66.02 61.86 1wpi s SER 15 CO 0.10 -0.81 0.05 -0.76 1.20 0.00 0.00 173.24 173.02 1wpi s LEU 16 N 2.12 3.80 0.15 3.45 2.01 -0.10 0.10 118.68 130.21 1wpi s LEU 16 Ca 0.09 0.18 0.04 0.00 0.01 0.00 0.00 54.13 54.45 1wpi s LEU 16 Cb -0.23 -1.91 -0.04 0.00 0.01 0.00 0.00 46.19 44.02 1wpi s LEU 16 CO 0.08 0.31 0.19 -0.36 1.01 0.00 0.00 176.35 177.58 1wpi s PHE 17 N -0.47 3.29 -0.09 0.29 0.40 0.31 -0.83 117.98 120.88 1wpi s PHE 17 Ca 0.09 0.05 -0.03 0.00 -0.60 0.00 0.00 56.93 56.44 1wpi s PHE 17 Cb -0.12 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 41.79 1wpi s PHE 17 CO 0.02 0.52 0.05 0.99 0.70 0.00 0.00 175.22 177.50 1wpi s THR 18 N -1.71 4.69 -0.42 0.64 2.01 0.11 -2.09 115.64 118.86 1wpi s THR 18 Ca 0.32 -0.12 0.08 0.00 0.31 0.00 0.00 61.69 62.28 1wpi s THR 18 Cb -0.11 -3.01 0.30 0.00 0.01 0.00 0.00 72.50 69.70 1wpi s THR 18 CO 0.25 0.60 0.83 -0.46 -0.69 0.00 0.00 174.62 175.15 1wpi n ASN 19 N 2.04 -0.93 -1.27 3.53 6.94 -1.25 -4.18 115.26 120.14 1wpi n ASN 19 Ca -0.19 -3.21 0.06 0.00 -0.02 0.00 0.00 54.58 51.22 1wpi n ASN 19 Cb 0.54 0.59 -0.03 0.00 -2.36 0.00 0.00 39.78 38.51 1wpi n ASN 19 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1wpi n ASP 20 N 0.77 -5.45 0.00 0.53 -0.08 -1.26 -3.25 116.55 107.81 1wpi n ASP 20 Ca 0.16 1.12 0.00 0.00 -1.51 0.00 0.00 54.79 54.56 1wpi n ASP 20 Cb 0.64 -3.91 0.00 0.00 2.34 0.00 0.00 41.12 40.19 1wpi n ASP 20 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1wpi n ILE 21 N -3.20 0.00 0.00 5.18 5.41 -1.26 -2.95 119.36 122.53 1wpi n ILE 21 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.72 1wpi n ILE 21 Cb 0.40 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.33 1wpi n ILE 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wpi n ALA 22 N -2.09 0.00 -1.00 -1.39 0.00 -1.26 -4.74 120.51 110.03 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 0.43 0.00 0.00 0.00 177.50 177.93 1wpi n SER 23 N 0.00 0.00 -4.51 0.00 7.64 -1.26 -4.08 113.62 111.41 1wpi n SER 23 Ca 0.00 0.06 -0.42 0.00 1.01 0.00 0.00 58.87 59.52 1wpi n SER 23 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1wpi n SER 23 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1wpi s ASN 24 N -2.24 6.59 0.56 6.43 -0.87 -1.26 -4.82 114.94 119.33 1wpi s ASN 24 Ca 0.00 -1.79 0.44 0.00 -1.57 0.00 0.00 52.86 49.94 1wpi s ASN 24 Cb 0.00 -2.50 1.64 0.00 -0.02 0.00 0.00 41.25 40.37 1wpi s ASN 24 CO 0.00 -1.29 1.65 0.40 -2.57 0.00 0.00 177.10 175.29 1wpi h ILE 25 N 6.28 0.16 0.04 0.60 1.08 -1.96 1.81 117.51 125.53 1wpi h ILE 25 Ca 0.20 0.00 -0.14 0.00 -0.39 0.00 0.00 64.86 64.53 1wpi h ILE 25 Cb 1.00 0.16 0.01 0.00 -3.07 0.00 0.00 36.82 34.93 1wpi h ILE 25 CO 1.30 0.00 -0.57 0.07 -0.69 0.00 0.00 178.15 178.25 1wpi h LYS 26 N 0.00 0.31 0.00 2.37 2.10 -1.95 -2.90 116.57 116.50 1wpi h LYS 26 Ca 0.77 -0.39 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 1wpi h LYS 26 Cb 3.15 0.13 0.00 0.00 -0.90 0.00 0.00 32.23 34.61 1wpi h LYS 26 CO -0.01 1.11 0.00 0.45 -2.00 0.00 0.00 179.45 179.00 1wpi n SER 27 N -4.26 0.00 -0.52 7.07 2.88 0.58 -3.04 113.62 116.32 1wpi n SER 27 Ca -0.11 0.76 0.43 0.00 -1.33 0.00 0.00 58.87 58.62 1wpi n SER 27 Cb 0.68 -0.41 0.70 0.00 -0.75 0.00 0.00 64.21 64.43 1wpi n SER 27 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wpi n GLN 28 N -1.73 -0.03 0.00 -1.46 0.00 0.86 0.90 117.38 115.92 1wpi n GLN 28 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 57.00 58.19 1wpi n GLN 28 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 30.24 27.80 1wpi n GLN 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1wpi n LYS 29 N -4.49 0.00 -0.11 2.61 3.00 -1.09 -3.22 118.16 114.85 1wpi n LYS 29 Ca 0.41 0.09 -0.25 0.00 -0.00 0.00 0.00 58.31 58.56 1wpi n LYS 29 Cb 1.65 -0.64 -0.11 0.00 0.00 0.00 0.00 35.03 35.93 1wpi n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wpi n LEU 31 N -4.11 0.25 0.01 0.00 7.99 0.26 0.23 117.00 121.62 1wpi n LEU 31 Ca -0.43 1.32 -0.18 0.00 -0.01 0.00 0.00 56.01 56.71 1wpi n LEU 31 Cb 0.84 -0.64 -0.13 0.00 -0.11 0.00 0.00 43.42 43.38 1wpi n LEU 31 CO 0.16 -1.46 0.20 1.56 -1.51 0.00 0.00 177.39 176.34 1wpi h GLN 32 N 0.00 0.23 -0.82 3.23 1.08 -1.15 -1.51 115.11 116.17 1wpi h GLN 32 Ca 0.73 -0.34 0.15 0.00 -1.45 0.00 0.00 58.65 57.73 1wpi h GLN 32 Cb 2.11 0.12 -0.10 0.00 -0.05 0.00 0.00 27.48 29.56 1wpi h GLN 32 CO -0.55 1.12 0.39 1.25 -0.95 0.00 0.00 178.83 180.09 1wpi h LEU 33 N -0.48 0.44 -0.17 1.46 5.85 0.28 0.72 115.31 123.41 1wpi h LEU 33 Ca -0.09 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1wpi h LEU 33 Cb 1.36 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.43 1wpi h LEU 33 CO 0.10 0.17 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.28 1wpi h LEU 34 N 0.56 0.00 0.00 2.25 4.07 -0.19 -3.08 115.31 118.91 1wpi h LEU 34 Ca 0.45 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.41 1wpi h LEU 34 Cb 0.66 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.40 1wpi h LEU 34 CO -0.38 0.02 0.00 1.17 -1.08 0.00 0.00 178.44 178.17 1wpi n LYS 35 N -3.11 0.02 0.00 1.13 0.00 0.25 -2.98 118.16 113.48 1wpi n LYS 35 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 58.31 58.38 1wpi n LYS 35 Cb 0.51 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.04 1wpi n LYS 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wpi n GLY 36 N -0.98 -0.16 0.00 3.14 0.00 -1.16 -5.05 105.19 100.97 1wpi n GLY 36 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1wpi n GLY 36 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wpi n ASP 37 N -1.79 0.38 0.00 1.61 2.03 -1.16 -5.14 116.55 112.48 1wpi n ASP 37 Ca 0.00 -0.70 0.00 0.00 0.52 0.00 0.00 54.79 54.61 1wpi n ASP 37 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1wpi n ASP 37 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1wpi n VAL 38 N -0.57 0.00 -0.32 5.18 3.14 -1.26 -4.81 118.33 119.70 1wpi n VAL 38 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1wpi n VAL 38 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1wpi n VAL 38 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1wpi n SER 39 N 0.00 -0.54 -4.69 6.55 7.64 -1.26 -4.54 113.62 116.78 1wpi n SER 39 Ca 0.00 0.00 -0.59 0.00 1.01 0.00 0.00 58.87 59.29 1wpi n SER 39 Cb 0.00 -0.27 -0.08 0.00 -1.01 0.00 0.00 64.21 62.86 1wpi n SER 39 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1wpi n HIS 40 N 1.69 1.86 0.00 1.43 8.25 -1.26 -4.68 115.22 122.51 1wpi n HIS 40 Ca 0.00 0.69 0.00 0.00 -0.26 0.00 0.00 57.72 58.15 1wpi n HIS 40 Cb 0.00 -2.38 0.00 0.00 1.12 0.00 0.00 29.99 28.73 1wpi n HIS 40 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1wpi n ARG 41 N 4.54 0.00 -2.68 -0.41 5.12 -1.26 -4.99 116.66 116.98 1wpi n ARG 41 Ca 0.26 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.96 1wpi n ARG 41 Cb 0.10 0.00 0.07 0.00 -1.16 0.00 0.00 32.46 31.47 1wpi n ARG 41 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 1wpi s PHE 42 N 0.91 2.07 -0.27 -1.55 -0.71 -1.26 -4.93 117.98 112.24 1wpi s PHE 42 Ca 0.00 -0.24 -0.13 0.00 -1.04 0.00 0.00 56.93 55.52 1wpi s PHE 42 Cb 0.00 -2.78 -0.04 0.00 -1.21 0.00 0.00 43.02 38.98 1wpi s PHE 42 CO 0.00 -1.29 0.27 -0.51 -1.34 0.00 0.00 175.22 172.35 1wpi s ASP 43 N -4.60 6.14 -0.13 1.98 1.01 -1.18 -4.80 116.67 115.09 1wpi s ASP 43 Ca 0.62 0.14 -0.22 0.00 0.71 0.00 0.00 52.55 53.80 1wpi s ASP 43 Cb -0.07 -2.16 -0.03 0.00 1.01 0.00 0.00 42.92 41.67 1wpi s ASP 43 CO 0.41 -0.09 0.67 -0.69 0.21 0.00 0.00 175.17 175.68 1wpi s VAL 44 N 1.79 5.03 -0.27 -1.27 1.01 -1.26 -3.08 120.40 122.35 1wpi s VAL 44 Ca 0.11 1.32 -0.05 0.00 0.00 0.00 0.00 61.98 63.36 1wpi s VAL 44 Cb -0.16 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.24 1wpi s VAL 44 CO 0.10 0.18 0.01 -0.70 0.00 0.00 0.00 175.10 174.69 1wpi s GLU 45 N 1.37 3.05 -0.35 2.72 -6.30 -0.57 -4.98 118.70 113.63 1wpi s GLU 45 Ca 0.33 -0.86 -0.08 0.00 -2.50 0.00 0.00 54.97 51.86 1wpi s GLU 45 Cb -0.17 -3.18 0.04 0.00 0.00 0.00 0.00 34.13 30.82 1wpi s GLU 45 CO 0.14 -0.39 0.14 0.42 0.02 0.00 0.00 175.26 175.59 1wpi s ILE 46 N 1.44 4.08 0.02 -3.70 1.09 -1.26 -0.93 121.20 121.94 1wpi s ILE 46 Ca 0.02 -1.04 0.02 0.00 -1.10 0.00 0.00 60.65 58.55 1wpi s ILE 46 Cb -0.17 -3.30 -0.02 0.00 -1.06 0.00 0.00 42.46 37.92 1wpi s ILE 46 CO -0.01 -0.21 -0.07 0.00 -0.10 0.00 0.00 174.94 174.55 1wpi s ALA 47 N 1.46 0.57 -0.19 9.38 0.00 -0.01 -5.00 121.76 127.97 1wpi s ALA 47 Ca -0.00 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1wpi s ALA 47 Cb -0.19 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 22.92 1wpi s ALA 47 CO 0.04 0.05 -0.18 0.54 0.00 0.00 0.00 175.76 176.21 1wpi s ASN 48 N -1.01 3.25 0.02 0.00 2.20 -1.26 0.04 114.94 118.18 1wpi s ASN 48 Ca -0.05 -0.73 -0.28 0.00 -0.94 0.00 0.00 52.86 50.86 1wpi s ASN 48 Cb -0.07 -1.45 0.10 0.00 -2.00 0.00 0.00 41.25 37.82 1wpi s ASN 48 CO 0.00 -0.03 0.97 -0.60 -2.94 0.00 0.00 177.10 174.50 1wpi s ARG 49 N 1.29 0.86 -0.26 3.55 6.06 -1.26 -4.85 118.95 124.33 1wpi s ARG 49 Ca 0.03 -0.39 -0.29 0.00 -2.50 0.00 0.00 55.73 52.59 1wpi s ARG 49 Cb -0.14 0.35 -0.02 0.00 0.06 0.00 0.00 34.95 35.20 1wpi s ARG 49 CO -0.12 -0.38 1.52 -0.59 -2.50 0.00 0.00 175.30 173.23 1wpi s PHE 50 N -3.06 2.29 -0.65 5.12 -0.71 -1.26 -4.65 117.98 115.05 1wpi s PHE 50 Ca 0.08 0.65 -0.06 0.00 -1.04 0.00 0.00 56.93 56.56 1wpi s PHE 50 Cb -0.01 -3.98 -0.13 0.00 -1.21 0.00 0.00 43.02 37.69 1wpi s PHE 50 CO -0.05 -2.52 2.65 -0.35 -1.34 0.00 0.00 175.22 173.62 1wpi n PRO 51 N 7.60 2.18 -1.69 1.99 -0.04 -1.26 -4.92 135.00 138.86 1wpi n PRO 51 Ca 0.18 -1.30 -0.39 0.00 -0.04 0.00 0.00 63.50 61.95 1wpi n PRO 51 Cb 0.46 -2.26 0.04 0.00 -0.04 0.00 0.00 33.50 31.70 1wpi n PRO 51 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wpi n THR 52 N 3.32 3.64 0.21 0.52 -2.24 -1.26 -4.59 114.28 113.87 1wpi n THR 52 Ca 0.47 -0.50 0.18 0.00 -2.27 0.00 0.00 64.05 61.93 1wpi n THR 52 Cb 0.41 -1.47 0.83 0.00 -2.10 0.00 0.00 70.33 68.01 1wpi n THR 52 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 1wpi h TRP 53 N 1.21 0.00 -0.27 4.78 0.09 -1.92 0.36 115.95 120.19 1wpi h TRP 53 Ca -0.49 0.00 0.03 0.00 0.09 0.00 0.00 58.89 58.52 1wpi h TRP 53 Cb 1.32 0.00 -0.05 0.00 0.08 0.00 0.00 29.16 30.51 1wpi h TRP 53 CO 0.43 0.00 -0.38 -0.44 0.09 0.00 0.00 178.44 178.14 1wpi h ASP 54 N 0.00 -1.26 0.55 0.11 3.32 -1.96 1.54 116.42 118.71 1wpi h ASP 54 Ca 0.09 0.16 -0.28 0.00 0.02 0.00 0.00 57.03 57.02 1wpi h ASP 54 Cb 0.66 0.52 -0.04 0.00 0.22 0.00 0.00 39.33 40.69 1wpi h ASP 54 CO -0.00 -0.28 -1.60 1.56 -1.72 0.00 0.00 179.24 177.20 1wpi h GLN 55 N -0.28 0.02 0.00 3.56 7.50 -1.73 -3.30 115.11 120.89 1wpi h GLN 55 Ca 0.05 -0.04 -0.01 0.00 0.50 0.00 0.00 58.65 59.15 1wpi h GLN 55 Cb 0.41 0.01 -0.00 0.00 0.05 0.00 0.00 27.48 27.95 1wpi h GLN 55 CO -0.40 0.63 -0.06 1.25 -1.50 0.00 0.00 178.83 178.76 1wpi h LEU 56 N 0.01 0.00 -0.73 1.46 6.46 -0.09 -2.71 115.31 119.72 1wpi h LEU 56 Ca -0.25 0.00 0.15 0.00 -0.12 0.00 0.00 57.88 57.66 1wpi h LEU 56 Cb 1.98 0.00 -0.14 0.00 -0.73 0.00 0.00 40.66 41.77 1wpi h LEU 56 CO 0.09 0.06 -0.16 -0.61 -0.62 0.00 0.00 178.44 177.20 1wpi h GLN 57 N 0.00 0.01 0.24 1.25 4.15 0.21 2.11 115.11 123.09 1wpi h GLN 57 Ca -0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1wpi h GLN 57 Cb 0.19 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 1wpi h GLN 57 CO 0.01 0.01 -0.23 -0.92 -1.93 0.00 0.00 178.83 175.76 1wpi h TYR 58 N 0.01 -0.62 0.00 3.99 3.20 -1.73 -2.03 116.97 119.80 1wpi h TYR 58 Ca 0.36 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.18 1wpi h TYR 58 Cb 0.56 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 1wpi h TYR 58 CO -0.56 -0.35 -0.26 0.52 -1.64 0.00 0.00 178.16 175.88 1wpi h MET 59 N -0.51 0.00 -0.86 1.82 2.86 -1.19 -2.63 114.93 114.42 1wpi h MET 59 Ca -0.01 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.72 1wpi h MET 59 Cb 0.47 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.06 1wpi h MET 59 CO -0.05 0.26 0.51 -0.09 1.06 0.00 0.00 176.91 178.60 1wpi h ARG 60 N 0.00 0.84 -0.42 1.72 2.43 0.41 -1.13 114.38 118.24 1wpi h ARG 60 Ca -0.00 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 58.98 1wpi h ARG 60 Cb 0.49 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1wpi h ARG 60 CO 0.03 0.56 -0.29 1.79 -1.51 0.00 0.00 179.97 180.55 1wpi h THR 61 N 0.87 1.27 -0.45 0.20 1.35 -1.11 -3.15 112.91 111.89 1wpi h THR 61 Ca 0.40 -1.46 -0.37 0.00 -0.55 0.00 0.00 66.41 64.43 1wpi h THR 61 Cb 0.32 1.26 -0.10 0.00 -1.73 0.00 0.00 68.15 67.90 1wpi h THR 61 CO -0.23 0.49 0.39 -1.54 -0.25 0.00 0.00 175.52 174.38 1wpi n SER 62 N -4.08 6.12 0.00 5.36 3.41 -0.43 -4.75 113.62 119.25 1wpi n SER 62 Ca -0.01 -2.78 0.00 0.00 -0.26 0.00 0.00 58.87 55.82 1wpi n SER 62 Cb 0.49 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.08 1wpi n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wpi h PRO 64 N 0.00 0.41 0.00 0.00 0.13 -1.85 -3.18 132.00 127.51 1wpi h PRO 64 Ca 0.00 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1wpi h PRO 64 Cb 0.00 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.23 1wpi h PRO 64 CO 0.00 1.06 -0.83 1.96 -0.23 0.00 0.00 178.00 179.95 1wpi h GLN 65 N 0.25 0.00 0.00 0.86 7.50 -1.96 -3.47 115.11 118.29 1wpi h GLN 65 Ca -0.06 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.09 1wpi h GLN 65 Cb 1.47 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.00 1wpi h GLN 65 CO 0.15 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.89 1wpi n GLY 66 N 1.21 0.44 0.18 3.46 0.00 -1.20 0.30 105.19 109.58 1wpi n GLY 66 Ca 0.01 0.57 -0.18 0.00 0.00 0.00 0.00 46.02 46.42 1wpi n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wpi h PRO 67 N 0.00 0.59 -1.05 1.61 0.13 -1.89 -3.19 132.00 128.19 1wpi h PRO 67 Ca 0.00 -0.57 0.31 0.00 -0.87 0.00 0.00 66.00 64.87 1wpi h PRO 67 Cb 0.00 0.15 -0.13 0.00 0.13 0.00 0.00 31.00 31.15 1wpi h PRO 67 CO 0.00 1.19 0.63 0.28 -0.23 0.00 0.00 178.00 179.87 1wpi h VAL 68 N 0.20 0.36 -0.82 1.56 2.07 0.43 1.33 116.25 121.37 1wpi h VAL 68 Ca -0.08 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1wpi h VAL 68 Cb 1.42 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1wpi h VAL 68 CO 0.15 0.06 0.51 0.28 0.02 0.00 0.00 177.57 178.59 1wpi h SER 69 N 0.35 0.98 0.19 0.57 0.02 -1.38 0.29 113.55 114.58 1wpi h SER 69 Ca 0.70 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.59 1wpi h SER 69 Cb 1.68 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.98 1wpi h SER 69 CO -0.50 0.74 -0.09 -0.07 -1.14 0.00 0.00 176.83 175.77 1wpi h LEU 70 N 1.13 -0.22 -1.77 5.07 -0.00 0.14 -2.15 115.31 117.50 1wpi h LEU 70 Ca 0.30 -0.29 0.25 0.00 -0.00 0.00 0.00 57.88 58.13 1wpi h LEU 70 Cb -0.07 0.06 -0.05 0.00 -0.00 0.00 0.00 40.66 40.60 1wpi h LEU 70 CO -0.06 0.32 0.64 1.56 -0.00 0.00 0.00 178.44 180.90 1wpi h GLN 71 N -0.91 0.17 0.00 1.13 1.08 0.05 1.40 115.11 118.03 1wpi h GLN 71 Ca -0.03 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 1wpi h GLN 71 Cb 0.50 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1wpi h GLN 71 CO 0.04 0.11 -0.09 0.00 -0.95 0.00 0.00 178.83 177.94 1wpi h ARG 72 N 0.17 0.00 -0.49 1.46 2.47 -0.39 -3.21 114.38 114.39 1wpi h ARG 72 Ca 0.46 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 59.05 1wpi h ARG 72 Cb 1.54 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.84 1wpi h ARG 72 CO -0.09 0.09 -0.20 -0.56 0.56 0.00 0.00 179.97 179.76 1wpi h GLN 73 N 0.00 1.01 -7.39 0.04 -0.00 0.26 -3.44 115.11 105.58 1wpi h GLN 73 Ca -0.00 -0.43 -0.50 0.00 -0.00 0.00 0.00 58.65 57.73 1wpi h GLN 73 Cb 1.01 -0.04 0.07 0.00 -0.00 0.00 0.00 27.48 28.52 1wpi h GLN 73 CO 0.01 1.11 0.38 -1.50 -0.00 0.00 0.00 178.83 178.84 1wpi s ILE 74 N -4.69 3.92 0.36 1.86 2.07 -0.99 -4.68 121.20 119.04 1wpi s ILE 74 Ca -0.11 0.55 -0.26 0.00 -1.41 0.00 0.00 60.65 59.42 1wpi s ILE 74 Cb 0.12 -3.61 -0.09 0.00 0.13 0.00 0.00 42.46 39.02 1wpi s ILE 74 CO 0.87 -0.78 1.06 -2.16 -1.91 0.00 0.00 174.94 172.03 1wpi s PRO 75 N -5.25 4.31 -0.69 3.50 0.04 -1.26 -3.91 135.00 131.73 1wpi s PRO 75 Ca 0.56 1.60 -0.03 0.00 0.04 0.00 0.00 61.00 63.17 1wpi s PRO 75 Cb -0.11 -2.74 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 1wpi s PRO 75 CO 0.52 -0.03 0.59 1.17 0.04 0.00 0.00 177.00 179.28 1wpi n LYS 76 N 0.31 -2.23 -0.08 4.56 4.81 -1.26 -4.66 118.16 119.61 1wpi n LYS 76 Ca 0.03 0.54 -0.11 0.00 -0.87 0.00 0.00 58.31 57.90 1wpi n LYS 76 Cb 0.48 -4.33 -0.08 0.00 0.02 0.00 0.00 35.03 31.12 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 -0.83 -1.44 -1.67 3.14 3.38 -1.74 1.03 115.31 117.18 1wpi h LEU 77 Ca -0.38 0.18 0.47 0.00 0.09 0.00 0.00 57.88 58.25 1wpi h LEU 77 Cb 1.20 0.58 -0.06 0.00 0.09 0.00 0.00 40.66 42.47 1wpi h LEU 77 CO 0.29 -0.33 1.33 -2.24 0.09 0.00 0.00 178.44 177.57 1wpi h ASP 78 N -0.35 0.00 0.09 -0.43 2.03 -1.92 10.97 116.42 126.81 1wpi h ASP 78 Ca 0.05 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.34 1wpi h ASP 78 Cb 0.49 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.99 1wpi h ASP 78 CO -0.44 0.00 -0.04 0.77 -1.03 0.00 0.00 179.24 178.50 1wpi h SER 79 N 0.00 -0.10 0.60 4.15 4.64 0.68 -3.21 113.55 120.31 1wpi h SER 79 Ca 0.77 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.90 1wpi h SER 79 Cb 3.42 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 65.52 1wpi h SER 79 CO -0.01 0.29 -0.84 1.62 -0.87 0.00 0.00 176.83 177.02 1wpi h VAL 80 N -0.83 1.50 0.00 0.95 3.04 0.16 1.49 116.25 122.55 1wpi h VAL 80 Ca -0.01 -2.58 0.00 0.00 -1.01 0.00 0.00 66.70 63.10 1wpi h VAL 80 Cb 0.09 2.43 0.00 0.00 -2.01 0.00 0.00 31.29 31.80 1wpi h VAL 80 CO 0.02 0.75 0.01 -0.11 -1.01 0.00 0.00 177.57 177.23 1wpi n LEU 81 N -3.67 0.42 0.00 3.16 -0.00 3.42 -4.28 117.00 116.05 1wpi n LEU 81 Ca -0.03 0.69 0.00 0.00 -0.00 0.00 0.00 56.01 56.67 1wpi n LEU 81 Cb 0.78 -0.74 0.00 0.00 -0.00 0.00 0.00 43.42 43.46 1wpi n LEU 81 CO 0.47 -0.83 0.00 1.17 -0.00 0.00 0.00 177.39 178.20 1wpi n LYS 82 N -2.06 0.00 0.00 1.96 3.00 -1.06 -4.95 118.16 115.05 1wpi n LYS 82 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1wpi n LYS 82 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.06 1wpi n LYS 82 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1wpi n TYR 83 N 0.00 0.00 0.00 5.64 4.19 -1.04 -4.90 117.16 121.05 1wpi n TYR 83 Ca 0.00 -0.04 0.00 0.00 3.31 0.00 0.00 57.90 61.17 1wpi n TYR 83 Cb 0.00 -0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 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 -0.04 2.96 -0.34 2.98 4.81 0.51 -2.96 118.16 126.08 1wpi n LYS 84 Ca 0.00 0.00 0.26 0.00 -0.87 0.00 0.00 58.31 57.70 1wpi n LYS 84 Cb 0.29 0.00 0.41 0.00 0.02 0.00 0.00 35.03 35.76 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 0.00 0.12 -0.30 5.64 8.25 -1.26 0.35 115.22 128.03 1wpi n HIS 85 Ca 0.00 0.12 0.32 0.00 -0.26 0.00 0.00 57.72 57.90 1wpi n HIS 85 Cb 0.00 -0.42 0.72 0.00 1.12 0.00 0.00 29.99 31.41 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 0.45 0.00 1.59 1.03 -1.74 -2.79 112.91 111.44 1wpi h THR 86 Ca 0.49 -0.02 0.00 0.00 -0.01 0.00 0.00 66.41 66.87 1wpi h THR 86 Cb 1.85 0.39 0.00 0.00 -1.07 0.00 0.00 68.15 69.33 1wpi h THR 86 CO -0.08 0.01 0.00 -0.67 -0.01 0.00 0.00 175.52 174.77 1wpi n ASP 87 N -4.25 0.00 -0.81 0.00 2.03 1.10 -3.63 116.55 110.99 1wpi n ASP 87 Ca 0.24 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.55 1wpi n ASP 87 Cb 1.15 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.55 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 -0.09 -0.67 -0.04 -1.26 -2.66 135.00 131.03 1wpi n PRO 88 Ca 0.00 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 1wpi n PRO 88 Cb 0.00 -1.22 -0.12 0.00 -0.04 0.00 0.00 33.50 32.12 1wpi n PRO 88 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1wpi n THR 89 N 0.43 1.59 -0.06 0.52 5.66 -1.23 -4.64 114.28 116.54 1wpi n THR 89 Ca 0.00 -0.41 -0.05 0.00 -3.05 0.00 0.00 64.05 60.55 1wpi n THR 89 Cb 0.30 -1.78 -0.11 0.00 -1.55 0.00 0.00 70.33 67.20 1wpi n THR 89 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1wpi n PHE 90 N -3.87 0.00 0.00 1.09 3.72 -1.05 -4.50 117.46 112.85 1wpi n PHE 90 Ca -0.41 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.99 1wpi n PHE 90 Cb 0.90 -0.61 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 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 2.11 -0.57 0.29 1.37 0.00 -1.09 0.11 105.19 107.41 1wpi n GLY 91 Ca -0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.07 -3.83 1.61 -0.00 -1.26 -3.21 117.12 110.36 1wpi n MET 92 Ca 0.00 1.24 -0.30 0.00 -0.00 0.00 0.00 57.70 58.64 1wpi n MET 92 Cb 0.00 -1.97 -0.15 0.00 -0.00 0.00 0.00 33.22 31.10 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 4.07 -0.22 3.17 1.01 -1.16 -4.69 116.67 113.86 1wpi s ASP 93 Ca -0.11 -1.61 -0.16 0.00 0.71 0.00 0.00 52.55 51.38 1wpi s ASP 93 Cb 0.24 -1.06 -0.18 0.00 1.01 0.00 0.00 42.92 42.94 1wpi s ASP 93 CO 0.64 -0.37 0.06 -0.11 0.21 0.00 0.00 175.17 175.60 1wpi n LEU 94 N 4.71 2.07 0.24 1.23 -0.00 0.31 -3.52 117.00 122.04 1wpi n LEU 94 Ca -0.03 0.33 0.10 0.00 -0.00 0.00 0.00 56.01 56.42 1wpi n LEU 94 Cb 0.43 -0.95 0.59 0.00 -0.00 0.00 0.00 43.42 43.48 1wpi n LEU 94 CO 0.15 0.48 0.88 -0.61 -0.00 0.00 0.00 177.39 178.29 1wpi h GLN 95 N -0.78 0.00 -0.00 1.96 -0.00 -1.84 1.91 115.11 116.36 1wpi h GLN 95 Ca -0.47 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.08 1wpi h GLN 95 Cb 1.53 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 29.00 1wpi h GLN 95 CO -0.22 0.19 -0.50 0.87 0.00 0.00 0.00 178.83 179.18 1wpi h LYS 96 N 0.00 0.01 0.01 1.69 1.79 -1.93 3.52 116.57 121.65 1wpi h LYS 96 Ca -0.00 -0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.09 1wpi h LYS 96 Cb 0.52 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.11 1wpi h LYS 96 CO 0.03 0.50 -2.36 0.00 -1.08 0.00 0.00 179.45 176.54 1wpi h VAL 98 N 0.01 1.10 -1.11 0.00 2.07 0.30 -2.42 116.25 116.19 1wpi h VAL 98 Ca -0.54 -2.58 0.34 0.00 0.82 0.00 0.00 66.70 64.75 1wpi h VAL 98 Cb 2.06 2.53 -0.07 0.00 -1.52 0.00 0.00 31.29 34.30 1wpi h VAL 98 CO -0.02 0.63 0.77 0.00 0.02 0.00 0.00 177.57 178.97 1wpi n GLN 99 N -3.24 -0.01 0.00 1.57 -0.00 1.17 -4.12 117.38 112.74 1wpi n GLN 99 Ca 0.01 0.74 0.00 0.00 -0.00 0.00 0.00 57.00 57.75 1wpi n GLN 99 Cb 0.81 -1.60 0.00 0.00 -0.00 0.00 0.00 30.24 29.45 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 -3.54 0.00 0.00 2.61 0.00 -1.25 -4.73 116.66 109.75 1wpi n ARG 100 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.13 1wpi n ARG 100 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.64 1wpi n ARG 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wpi n GLY 101 N 0.00 -3.31 5.74 5.14 0.00 -0.91 -4.29 105.19 107.56 1wpi n GLY 101 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.80 0.99 0.00 -1.24 -4.01 117.00 108.94 1wpi n LEU 102 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.88 1wpi n LEU 102 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.30 1wpi n LEU 102 CO 0.00 0.00 -0.13 0.26 0.00 0.00 0.00 177.39 177.52 1wpi s TRP 103 N 0.00 -0.23 -0.51 1.96 0.51 -1.26 -5.12 118.94 114.29 1wpi s TRP 103 Ca 0.00 0.57 -0.25 0.00 -2.12 0.00 0.00 56.10 54.30 1wpi s TRP 103 Cb 0.00 0.08 0.03 0.00 -0.81 0.00 0.00 33.47 32.77 1wpi s TRP 103 CO 0.00 -0.12 0.94 0.54 -0.51 0.00 0.00 176.95 177.81 1wpi s ASN 104 N 0.10 6.41 0.23 2.95 2.20 -1.26 -4.63 114.94 120.94 1wpi s ASN 104 Ca -0.00 -0.13 0.25 0.00 -0.94 0.00 0.00 52.86 52.03 1wpi s ASN 104 Cb -0.02 -2.45 0.90 0.00 -2.00 0.00 0.00 41.25 37.69 1wpi s ASN 104 CO 0.00 -1.16 1.75 -0.81 -2.94 0.00 0.00 177.10 173.94 1wpi n PRO 105 N 7.37 0.22 -3.43 3.55 -0.04 -1.26 -4.88 135.00 136.54 1wpi n PRO 105 Ca 0.04 0.31 -0.22 0.00 -0.04 0.00 0.00 63.50 63.59 1wpi n PRO 105 Cb 0.48 -1.83 -0.05 0.00 -0.04 0.00 0.00 33.50 32.06 1wpi n PRO 105 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1wpi n LYS 106 N -2.23 -0.90 -4.37 0.54 -0.00 -1.15 -4.85 118.16 105.20 1wpi n LYS 106 Ca 0.04 0.07 -0.24 0.00 -0.00 0.00 0.00 58.31 58.18 1wpi n LYS 106 Cb 0.33 -2.45 -0.09 0.00 -0.00 0.00 0.00 35.03 32.82 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 -5.12 2.00 -0.15 -1.58 0.41 -1.20 -4.86 118.70 108.18 1wpi s GLU 107 Ca 0.25 -1.56 -0.02 0.00 -0.41 0.00 0.00 54.97 53.23 1wpi s GLU 107 Cb -0.15 -1.99 -0.02 0.00 -1.78 0.00 0.00 34.13 30.20 1wpi s GLU 107 CO 0.60 0.36 -0.08 0.00 -0.49 0.00 0.00 175.26 175.64 1wpi s ALA 108 N -2.34 2.79 -0.31 5.21 0.00 -1.26 -3.90 121.76 121.94 1wpi s ALA 108 Ca 0.30 -0.90 -0.17 0.00 0.00 0.00 0.00 51.96 51.19 1wpi s ALA 108 Cb -0.06 -1.41 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 1wpi s ALA 108 CO 0.17 0.15 0.47 -0.51 0.00 0.00 0.00 175.76 176.04 1wpi s LEU 109 N 0.50 4.23 -0.17 0.00 2.01 -0.89 -1.43 118.68 122.93 1wpi s LEU 109 Ca -0.06 0.13 -0.06 0.00 0.01 0.00 0.00 54.13 54.15 1wpi s LEU 109 Cb -0.15 -2.54 -0.04 0.00 0.01 0.00 0.00 46.19 43.47 1wpi s LEU 109 CO 0.03 -0.37 0.03 0.86 1.01 0.00 0.00 176.35 177.91 1wpi s TRP 110 N 2.28 3.17 -0.24 0.29 -0.11 -0.98 0.11 118.94 123.47 1wpi s TRP 110 Ca 0.18 -0.05 -0.15 0.00 1.22 0.00 0.00 56.10 57.30 1wpi s TRP 110 Cb -0.16 -2.03 0.07 0.00 -1.50 0.00 0.00 33.47 29.86 1wpi s TRP 110 CO 0.12 0.10 0.60 0.08 -4.62 0.00 0.00 176.95 173.22 1wpi s VAL 111 N 0.33 -0.01 0.01 5.86 1.01 0.11 -2.14 120.40 125.58 1wpi s VAL 111 Ca 0.01 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.06 1wpi s VAL 111 Cb -0.13 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 1wpi s VAL 111 CO 0.01 0.01 -0.15 -0.62 0.00 0.00 0.00 175.10 174.35 1wpi s ASP 112 N 1.37 1.82 -0.08 3.32 -1.08 0.11 0.22 116.67 122.34 1wpi s ASP 112 Ca -0.08 -0.36 0.11 0.00 -0.52 0.00 0.00 52.55 51.70 1wpi s ASP 112 Cb -0.06 -0.17 0.17 0.00 -1.46 0.00 0.00 42.92 41.40 1wpi s ASP 112 CO -0.15 0.14 1.07 -2.67 0.52 0.00 0.00 175.17 174.08 1wpi n TRP 113 N 2.36 0.00 -0.08 -5.34 4.27 -1.25 -2.89 117.44 114.51 1wpi n TRP 113 Ca -0.16 -0.65 -0.23 0.00 -3.89 0.00 0.00 57.50 52.57 1wpi n TRP 113 Cb 0.55 -0.11 -0.12 0.00 -1.36 0.00 0.00 31.31 30.27 1wpi n TRP 113 CO 0.00 0.00 0.00 -1.91 -2.29 0.00 0.00 177.69 173.49 1wpi n GLU 114 N -0.91 0.62 -0.26 -2.67 0.00 -1.26 -4.42 120.64 111.74 1wpi n GLU 114 Ca 0.10 0.43 0.09 0.00 0.00 0.00 0.00 57.16 57.77 1wpi n GLU 114 Cb 0.60 -1.69 0.19 0.00 0.00 0.00 0.00 31.44 30.54 1wpi n GLU 114 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1wpi n ASN 115 N -4.10 2.80 -3.61 4.31 4.13 -1.26 -4.85 115.26 112.67 1wpi n ASN 115 Ca -0.36 -3.16 -0.22 0.00 1.68 0.00 0.00 54.58 52.52 1wpi n ASN 115 Cb 0.82 -0.48 0.04 0.00 -1.54 0.00 0.00 39.78 38.62 1wpi n ASN 115 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1wpi n LYS 116 N -1.11 -3.96 -4.47 3.52 2.85 -1.26 -4.99 118.16 108.74 1wpi n LYS 116 Ca 0.19 0.65 -0.20 0.00 -1.05 0.00 0.00 58.31 57.89 1wpi n LYS 116 Cb 0.74 -5.14 -0.15 0.00 -0.65 0.00 0.00 35.03 29.84 1wpi n LYS 116 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 1wpi s LEU 117 N -6.41 2.06 0.23 -5.58 2.34 -1.14 -4.94 118.68 105.23 1wpi s LEU 117 Ca 0.16 -0.26 -0.10 0.00 0.06 0.00 0.00 54.13 53.99 1wpi s LEU 117 Cb -0.04 -0.58 -0.01 0.00 -0.56 0.00 0.00 46.19 44.99 1wpi s LEU 117 CO 0.80 0.11 0.38 -0.69 -1.06 0.00 0.00 176.35 175.90 1wpi s VAL 118 N -0.40 0.00 0.00 1.48 1.01 -1.25 0.05 120.40 121.28 1wpi s VAL 118 Ca 0.04 -1.55 0.00 0.00 0.00 0.00 0.00 61.98 60.46 1wpi s VAL 118 Cb -0.05 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.08 1wpi s VAL 118 CO -0.00 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.69 1wpi n GLY 119 N -0.34 1.32 3.91 4.51 0.00 -0.91 -4.96 105.19 108.72 1wpi n GLY 119 Ca -0.01 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 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 6.41 0.00 1.61 4.22 -1.26 -2.31 114.94 123.61 1wpi s ASN 120 Ca 0.00 0.60 0.00 0.00 -2.14 0.00 0.00 52.86 51.32 1wpi s ASN 120 Cb 0.00 -2.09 0.00 0.00 1.28 0.00 0.00 41.25 40.44 1wpi s ASN 120 CO 0.00 -0.16 0.00 1.21 -2.04 0.00 0.00 177.10 176.11 1wpi n GLU 121 N -0.94 0.00 0.01 3.55 2.13 -0.52 -4.25 120.64 120.62 1wpi n GLU 121 Ca -0.03 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.61 1wpi n GLU 121 Cb 0.54 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.16 1wpi n GLU 121 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1wpi h PRO 122 N 0.00 0.66 -0.47 5.31 0.13 -1.92 -3.07 132.00 132.64 1wpi h PRO 122 Ca 0.00 -0.64 0.14 0.00 -0.87 0.00 0.00 66.00 64.62 1wpi h PRO 122 Cb 0.00 0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.28 1wpi h PRO 122 CO 0.00 1.24 0.46 0.00 -0.23 0.00 0.00 178.00 179.47 1wpi h ALA 123 N 0.43 2.23 -0.23 -0.56 0.00 -1.92 0.11 119.26 119.32 1wpi h ALA 123 Ca -0.09 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1wpi h ALA 123 Cb 1.50 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 1wpi h ALA 123 CO 0.17 -0.70 -0.03 0.22 0.00 0.00 0.00 179.25 178.91 1wpi h ASP 124 N 0.00 -0.15 -0.33 0.00 1.82 -1.71 -0.92 116.42 115.12 1wpi h ASP 124 Ca 0.22 0.06 0.07 0.00 -0.39 0.00 0.00 57.03 57.00 1wpi h ASP 124 Cb 1.14 0.12 -0.08 0.00 0.68 0.00 0.00 39.33 41.18 1wpi h ASP 124 CO -0.00 -0.05 -0.31 0.40 -1.61 0.00 0.00 179.24 177.67 1wpi h ILE 125 N 0.04 0.26 -0.64 2.25 2.04 -0.92 0.14 117.51 120.68 1wpi h ILE 125 Ca 0.11 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.10 1wpi h ILE 125 Cb 0.16 0.26 -0.09 0.00 -0.74 0.00 0.00 36.82 36.41 1wpi h ILE 125 CO -0.21 0.00 0.12 -0.78 0.00 0.00 0.00 178.15 177.28 1wpi h ASP 126 N -0.27 -0.03 -0.10 1.72 3.58 -1.41 2.10 116.42 122.01 1wpi h ASP 126 Ca 0.16 0.13 0.04 0.00 0.42 0.00 0.00 57.03 57.78 1wpi h ASP 126 Cb 0.53 0.18 -0.06 0.00 1.72 0.00 0.00 39.33 41.70 1wpi h ASP 126 CO -0.49 -0.02 -0.32 0.11 -2.88 0.00 0.00 179.24 175.64 1wpi h LYS 127 N 0.24 -0.40 0.00 0.28 6.56 0.55 -3.26 116.57 120.53 1wpi h LYS 127 Ca 0.34 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.96 1wpi h LYS 127 Cb 0.53 0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.28 1wpi h LYS 127 CO -0.45 -0.27 0.00 0.66 -2.06 0.00 0.00 179.45 177.34 1wpi n TYR 128 N -5.41 0.00 -3.93 -1.35 4.01 -0.16 -4.85 117.16 105.47 1wpi n TYR 128 Ca -0.04 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.41 1wpi n TYR 128 Cb 0.33 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.22 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 0.00 2.72 0.94 -0.72 -0.00 0.67 -4.93 121.20 119.87 1wpi s ILE 129 Ca 0.00 -3.58 -0.11 0.00 -0.00 0.00 0.00 60.65 56.96 1wpi s ILE 129 Cb 0.00 -2.85 0.16 0.00 -0.00 0.00 0.00 42.46 39.77 1wpi s ILE 129 CO 0.00 -0.86 0.36 2.30 -0.00 0.00 0.00 174.94 176.74 1wpi n ILE 130 N 2.80 0.00 0.00 8.37 -0.00 0.13 -4.19 119.36 126.47 1wpi n ILE 130 Ca 0.09 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 62.83 1wpi n ILE 130 Cb 0.33 -0.43 0.00 0.00 -0.00 0.00 0.00 39.64 39.54 1wpi n ILE 130 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1wpi n GLN 131 N -1.40 0.00 -2.71 6.28 0.00 -1.26 -2.50 117.38 115.78 1wpi n GLN 131 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 57.00 57.00 1wpi n GLN 131 Cb 0.28 -1.40 0.05 0.00 0.00 0.00 0.00 30.24 29.18 1wpi n GLN 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1wpi n ARG 132 N -0.77 0.47 0.00 2.61 5.12 -1.26 -4.83 116.66 118.01 1wpi n ARG 132 Ca 0.00 -1.31 0.00 0.00 -1.93 0.00 0.00 57.85 54.61 1wpi n ARG 132 Cb 0.00 -0.90 0.00 0.00 -1.16 0.00 0.00 32.46 30.40 1wpi n ARG 132 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87