#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 -3.67 7.83 7.64 -1.26 -5.19 113.62 118.97 1wpi n SER 2 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 1wpi n SER 2 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1wpi n SER 2 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1wpi s PHE 3 N -1.38 -0.09 -0.06 1.43 0.08 -1.26 -4.95 117.98 111.75 1wpi s PHE 3 Ca 0.00 -0.23 -0.24 0.00 0.12 0.00 0.00 56.93 56.57 1wpi s PHE 3 Cb 0.00 0.65 -0.25 0.00 -0.57 0.00 0.00 43.02 42.85 1wpi s PHE 3 CO 0.00 -0.83 0.98 -1.49 -0.10 0.00 0.00 175.22 173.78 1wpi h TRP 4 N 2.00 0.30 0.00 0.36 4.06 -2.01 -3.25 115.95 117.41 1wpi h TRP 4 Ca -0.25 -0.17 0.00 0.00 2.06 0.00 0.00 58.89 60.53 1wpi h TRP 4 Cb 1.23 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 29.36 1wpi h TRP 4 CO 0.55 1.02 -0.27 0.87 -3.56 0.00 0.00 178.44 177.06 1wpi h LYS 5 N -0.51 0.00 0.00 0.49 1.79 -1.93 -3.48 116.57 112.92 1wpi h LYS 5 Ca -0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1wpi h LYS 5 Cb 1.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 1wpi h LYS 5 CO 0.06 0.00 0.00 -2.37 -1.08 0.00 0.00 179.45 176.06 1wpi n THR 6 N -2.97 0.00 -0.17 -0.16 5.66 -1.23 -4.79 114.28 110.62 1wpi n THR 6 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 1wpi n THR 6 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 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 -0.99 -4.46 1.09 -0.00 -1.26 -4.93 117.00 106.45 1wpi n LEU 7 Ca 0.00 0.00 -0.47 0.00 -0.00 0.00 0.00 56.01 55.54 1wpi n LEU 7 Cb 0.00 -0.18 -0.03 0.00 -0.00 0.00 0.00 43.42 43.22 1wpi n LEU 7 CO 0.00 0.00 0.17 1.67 -0.00 0.00 0.00 177.39 179.23 1wpi n GLN 8 N 1.43 0.42 -1.83 1.96 -0.06 -1.26 -4.43 117.38 113.61 1wpi n GLN 8 Ca 0.00 0.15 0.00 0.00 -2.00 0.00 0.00 57.00 55.15 1wpi n GLN 8 Cb 0.00 -1.27 0.00 0.00 -4.06 0.00 0.00 30.24 24.91 1wpi n GLN 8 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1wpi n ARG 9 N 0.92 -5.02 -3.07 3.69 5.12 -1.26 -4.86 116.66 112.17 1wpi n ARG 9 Ca 0.15 3.68 -0.40 0.00 -1.93 0.00 0.00 57.85 59.35 1wpi n ARG 9 Cb 0.27 -4.11 -0.05 0.00 -1.16 0.00 0.00 32.46 27.41 1wpi n ARG 9 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 1wpi s GLN 10 N -2.71 4.40 0.24 5.56 0.00 -1.26 -5.02 119.66 120.87 1wpi s GLN 10 Ca 0.00 0.82 -0.30 0.00 -0.00 0.00 0.00 55.36 55.89 1wpi s GLN 10 Cb 0.00 -3.46 -0.09 0.00 0.00 0.00 0.00 33.01 29.46 1wpi s GLN 10 CO 0.00 0.02 1.09 -1.25 0.00 0.00 0.00 175.29 175.16 1wpi s PRO 11 N 0.96 4.63 -0.12 9.60 0.04 -1.26 -4.52 135.00 144.33 1wpi s PRO 11 Ca 0.36 1.76 -0.06 0.00 0.04 0.00 0.00 61.00 63.10 1wpi s PRO 11 Cb -0.17 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 1wpi s PRO 11 CO 0.16 0.18 -0.15 0.54 0.04 0.00 0.00 177.00 177.77 1wpi n ARG 12 N 1.65 0.26 -4.02 4.56 1.74 -1.25 -4.92 116.66 114.68 1wpi n ARG 12 Ca 0.00 0.11 -0.31 0.00 -0.77 0.00 0.00 57.85 56.89 1wpi n ARG 12 Cb 0.45 -0.95 -0.16 0.00 -1.02 0.00 0.00 32.46 30.78 1wpi n ARG 12 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1wpi s THR 13 N -2.22 1.66 -0.46 0.55 2.01 -1.26 -4.44 115.64 111.48 1wpi s THR 13 Ca -0.17 -0.81 -0.20 0.00 0.31 0.00 0.00 61.69 60.82 1wpi s THR 13 Cb 0.06 -1.61 0.03 0.00 0.01 0.00 0.00 72.50 70.99 1wpi s THR 13 CO 0.22 0.36 0.61 -0.63 -0.69 0.00 0.00 174.62 174.48 1wpi s ILE 14 N 1.43 4.88 -0.62 1.82 -1.09 -1.08 -3.76 121.20 122.77 1wpi s ILE 14 Ca 0.03 -0.12 -0.13 0.00 -2.23 0.00 0.00 60.65 58.19 1wpi s ILE 14 Cb -0.14 -4.21 0.16 0.00 -1.58 0.00 0.00 42.46 36.69 1wpi s ILE 14 CO -0.10 -0.63 0.54 -0.44 -1.23 0.00 0.00 174.94 173.08 1wpi s SER 15 N 2.16 6.18 -0.04 3.58 0.01 0.35 -1.45 113.70 124.49 1wpi s SER 15 Ca 0.19 -2.18 -0.03 0.00 1.31 0.00 0.00 55.95 55.24 1wpi s SER 15 Cb -0.16 -2.14 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 1wpi s SER 15 CO 0.16 -0.70 0.10 -0.76 0.41 0.00 0.00 173.24 172.46 1wpi s LEU 16 N 0.97 4.05 0.17 2.44 2.01 -0.36 0.14 118.68 128.10 1wpi s LEU 16 Ca 0.09 0.26 0.11 0.00 0.01 0.00 0.00 54.13 54.60 1wpi s LEU 16 Cb -0.22 -2.22 -0.04 0.00 0.01 0.00 0.00 46.19 43.71 1wpi s LEU 16 CO -0.02 0.32 -0.23 -0.36 1.01 0.00 0.00 176.35 177.06 1wpi s PHE 17 N -1.13 2.19 -0.04 0.29 0.08 0.14 -2.56 117.98 116.95 1wpi s PHE 17 Ca 0.20 -0.38 -0.09 0.00 0.12 0.00 0.00 56.93 56.78 1wpi s PHE 17 Cb -0.12 -1.11 -0.05 0.00 -0.57 0.00 0.00 43.02 41.17 1wpi s PHE 17 CO 0.11 0.43 0.26 0.99 -0.10 0.00 0.00 175.22 176.90 1wpi s THR 18 N -1.60 5.31 -0.43 0.64 2.01 -0.93 -0.33 115.64 120.31 1wpi s THR 18 Ca 0.18 0.35 0.06 0.00 0.31 0.00 0.00 61.69 62.60 1wpi s THR 18 Cb -0.08 -3.54 0.22 0.00 0.01 0.00 0.00 72.50 69.10 1wpi s THR 18 CO 0.08 0.51 0.57 0.59 -0.69 0.00 0.00 174.62 175.68 1wpi n ASN 19 N 1.61 -1.13 -0.91 3.53 3.02 -1.22 -4.19 115.26 115.97 1wpi n ASN 19 Ca -0.15 -2.74 0.12 0.00 -0.03 0.00 0.00 54.58 51.77 1wpi n ASN 19 Cb 0.53 0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 39.87 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 2.10 -5.42 0.00 6.41 -0.08 -1.26 -3.23 116.55 115.07 1wpi n ASP 20 Ca 0.21 0.92 0.00 0.00 -1.51 0.00 0.00 54.79 54.41 1wpi n ASP 20 Cb 0.54 -2.60 0.00 0.00 2.34 0.00 0.00 41.12 41.40 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 -2.95 0.00 0.00 5.18 5.41 -1.26 -4.25 119.36 121.48 1wpi n ILE 21 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1wpi n ILE 21 Cb 0.39 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.32 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 0.00 0.00 0.14 -1.39 0.00 -1.26 -4.75 120.51 113.25 1wpi n ALA 22 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1wpi n ALA 22 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1wpi n ALA 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wpi h SER 23 N 0.00 -0.32 -3.99 0.00 0.87 -2.00 -3.39 113.55 104.72 1wpi h SER 23 Ca 0.00 0.01 -0.69 0.00 -1.23 0.00 0.00 61.79 59.88 1wpi h SER 23 Cb 0.00 0.08 -0.36 0.00 -0.44 0.00 0.00 62.40 61.68 1wpi h SER 23 CO 0.00 -0.17 -0.35 0.20 -0.53 0.00 0.00 176.83 175.98 1wpi s ASN 24 N -3.15 5.25 0.24 6.23 0.01 -1.26 -4.91 114.94 117.35 1wpi s ASN 24 Ca -0.06 -3.10 -0.07 0.00 -0.71 0.00 0.00 52.86 48.93 1wpi s ASN 24 Cb 0.01 -1.83 0.27 0.00 0.41 0.00 0.00 41.25 40.10 1wpi s ASN 24 CO 0.17 -0.30 1.89 0.40 -1.51 0.00 0.00 177.10 177.74 1wpi h ILE 25 N 5.01 1.16 0.14 0.60 5.03 -1.85 1.58 117.51 129.18 1wpi h ILE 25 Ca 0.02 -0.39 -0.01 0.00 -0.12 0.00 0.00 64.86 64.37 1wpi h ILE 25 Cb 0.91 -0.07 0.00 0.00 -3.03 0.00 0.00 36.82 34.63 1wpi h ILE 25 CO 0.73 0.21 -0.07 0.11 -0.68 0.00 0.00 178.15 178.45 1wpi h LYS 26 N 1.13 -0.19 0.00 2.37 6.56 -1.91 -1.70 116.57 122.83 1wpi h LYS 26 Ca 0.35 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.95 1wpi h LYS 26 Cb -0.01 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.69 1wpi h LYS 26 CO -0.11 0.27 0.00 -1.13 -2.06 0.00 0.00 179.45 176.41 1wpi n SER 27 N -4.92 0.00 -0.33 0.86 3.41 -1.07 -2.85 113.62 108.72 1wpi n SER 27 Ca -0.08 0.96 0.26 0.00 -0.26 0.00 0.00 58.87 59.75 1wpi n SER 27 Cb 0.27 -0.49 0.50 0.00 -0.26 0.00 0.00 64.21 64.23 1wpi n SER 27 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1wpi h GLN 28 N 0.00 0.17 0.00 4.33 4.15 0.21 1.27 115.11 125.24 1wpi h GLN 28 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1wpi h GLN 28 Cb 0.00 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.65 1wpi h GLN 28 CO 0.00 0.11 0.00 1.17 -1.93 0.00 0.00 178.83 178.18 1wpi n LYS 29 N -5.17 0.00 -0.12 1.69 4.81 -0.64 -2.93 118.16 115.80 1wpi n LYS 29 Ca 0.33 0.34 -0.23 0.00 -0.87 0.00 0.00 58.31 57.89 1wpi n LYS 29 Cb 1.08 -0.89 -0.08 0.00 0.02 0.00 0.00 35.03 35.16 1wpi n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wpi n LEU 31 N -4.34 0.03 0.04 0.00 7.99 0.41 0.30 117.00 121.43 1wpi n LEU 31 Ca -0.40 1.03 -0.19 0.00 -0.01 0.00 0.00 56.01 56.44 1wpi n LEU 31 Cb 0.75 -0.42 -0.14 0.00 -0.11 0.00 0.00 43.42 43.50 1wpi n LEU 31 CO 0.10 -1.08 0.11 1.56 -1.51 0.00 0.00 177.39 176.56 1wpi h GLN 32 N 0.00 0.31 -0.74 3.23 1.08 -0.73 -1.20 115.11 117.07 1wpi h GLN 32 Ca 0.43 -0.48 0.13 0.00 -1.45 0.00 0.00 58.65 57.28 1wpi h GLN 32 Cb 0.99 0.17 -0.09 0.00 -0.05 0.00 0.00 27.48 28.50 1wpi h GLN 32 CO -0.54 1.20 0.30 1.25 -0.95 0.00 0.00 178.83 180.09 1wpi h LEU 33 N -0.33 0.29 0.00 1.46 6.46 0.45 0.57 115.31 124.21 1wpi h LEU 33 Ca -0.12 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1wpi h LEU 33 Cb 1.55 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.55 1wpi h LEU 33 CO 0.14 0.12 -0.01 -0.07 -0.62 0.00 0.00 178.44 178.00 1wpi h LEU 34 N 0.45 0.00 -0.64 2.25 4.07 0.66 -3.09 115.31 119.01 1wpi h LEU 34 Ca 0.40 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.36 1wpi h LEU 34 Cb 0.58 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.32 1wpi h LEU 34 CO -0.38 0.00 0.03 1.17 -1.08 0.00 0.00 178.44 178.18 1wpi n LYS 35 N -2.97 0.06 0.00 1.13 4.81 0.20 -3.59 118.16 117.80 1wpi n LYS 35 Ca 0.04 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 1wpi n LYS 35 Cb 0.52 -1.73 0.00 0.00 0.02 0.00 0.00 35.03 33.83 1wpi n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wpi n GLY 36 N -1.39 -2.00 0.00 3.14 0.00 -1.14 -4.91 105.19 98.89 1wpi n GLY 36 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 0.00 -3.97 1.61 -0.08 -1.24 -5.13 116.55 107.74 1wpi n ASP 37 Ca 0.00 -0.17 -0.09 0.00 -1.51 0.00 0.00 54.79 53.02 1wpi n ASP 37 Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 1wpi n ASP 37 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1wpi s VAL 38 N 1.10 0.14 -1.03 5.18 0.11 -1.26 -4.91 120.40 119.72 1wpi s VAL 38 Ca 0.00 -1.13 0.00 0.00 -2.93 0.00 0.00 61.98 57.92 1wpi s VAL 38 Cb 0.00 -0.75 0.00 0.00 -1.53 0.00 0.00 36.38 34.10 1wpi s VAL 38 CO 0.00 -0.62 0.00 -0.24 -3.33 0.00 0.00 175.10 170.91 1wpi n SER 39 N 0.99 0.00 0.00 3.54 2.88 -1.26 -4.98 113.62 114.79 1wpi n SER 39 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1wpi n SER 39 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1wpi n SER 39 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1wpi n HIS 40 N 1.85 0.00 0.00 0.66 8.25 -1.26 -4.96 115.22 119.77 1wpi n HIS 40 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1wpi n HIS 40 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1wpi n HIS 40 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1wpi n ARG 41 N 0.00 0.00 -3.53 -0.41 1.85 -1.26 -4.98 116.66 108.32 1wpi n ARG 41 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.64 1wpi n ARG 41 Cb 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.39 1wpi n ARG 41 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 1wpi s PHE 42 N -0.81 2.53 -0.23 2.89 -0.71 -1.26 -4.90 117.98 115.50 1wpi s PHE 42 Ca 0.00 -0.54 -0.07 0.00 -1.04 0.00 0.00 56.93 55.29 1wpi s PHE 42 Cb 0.00 -2.16 -0.03 0.00 -1.21 0.00 0.00 43.02 39.62 1wpi s PHE 42 CO 0.00 -0.24 0.05 -0.51 -1.34 0.00 0.00 175.22 173.18 1wpi s ASP 43 N -4.19 5.13 -0.09 1.98 1.11 -1.26 -4.75 116.67 114.60 1wpi s ASP 43 Ca 0.48 -0.16 -0.05 0.00 0.18 0.00 0.00 52.55 53.00 1wpi s ASP 43 Cb -0.04 -1.90 -0.04 0.00 1.07 0.00 0.00 42.92 42.01 1wpi s ASP 43 CO 0.28 0.03 0.10 0.54 1.18 0.00 0.00 175.17 177.30 1wpi s VAL 44 N 1.25 5.13 -0.21 -1.27 0.11 -1.26 -2.63 120.40 121.52 1wpi s VAL 44 Ca 0.04 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.11 1wpi s VAL 44 Cb -0.15 -3.24 0.04 0.00 -1.53 0.00 0.00 36.38 31.51 1wpi s VAL 44 CO 0.03 0.57 -0.11 -0.70 -3.33 0.00 0.00 175.10 171.56 1wpi s GLU 45 N -1.12 2.11 -0.40 1.54 2.12 -0.53 -4.97 118.70 117.45 1wpi s GLU 45 Ca 0.16 -0.91 -0.04 0.00 0.36 0.00 0.00 54.97 54.54 1wpi s GLU 45 Cb -0.12 -2.49 0.10 0.00 0.26 0.00 0.00 34.13 31.88 1wpi s GLU 45 CO 0.06 -0.43 0.20 0.42 -0.54 0.00 0.00 175.26 174.97 1wpi s ILE 46 N 1.35 3.48 -0.07 -3.70 1.09 -1.26 -1.23 121.20 120.86 1wpi s ILE 46 Ca -0.02 -1.86 -0.06 0.00 -1.10 0.00 0.00 60.65 57.61 1wpi s ILE 46 Cb -0.16 -3.30 0.02 0.00 -1.06 0.00 0.00 42.46 37.96 1wpi s ILE 46 CO -0.08 -0.61 0.18 0.00 -0.10 0.00 0.00 174.94 174.33 1wpi s ALA 47 N 1.21 -0.42 -0.22 9.38 0.00 -1.06 -5.03 121.76 125.63 1wpi s ALA 47 Ca 0.06 0.57 -0.18 0.00 0.00 0.00 0.00 51.96 52.40 1wpi s ALA 47 Cb -0.23 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 1wpi s ALA 47 CO -0.03 -0.10 0.52 0.54 0.00 0.00 0.00 175.76 176.69 1wpi s ASN 48 N 0.36 6.53 0.10 0.00 2.20 -1.26 -2.18 114.94 120.69 1wpi s ASN 48 Ca -0.02 0.64 -0.25 0.00 -0.94 0.00 0.00 52.86 52.29 1wpi s ASN 48 Cb -0.04 -2.29 0.08 0.00 -2.00 0.00 0.00 41.25 37.00 1wpi s ASN 48 CO -0.02 -0.21 0.70 -0.13 -2.94 0.00 0.00 177.10 174.50 1wpi s ARG 49 N 1.83 1.12 -0.41 3.55 1.81 -1.26 -4.86 118.95 120.73 1wpi s ARG 49 Ca 0.23 -0.40 -0.28 0.00 -1.72 0.00 0.00 55.73 53.56 1wpi s ARG 49 Cb -0.15 0.52 0.02 0.00 -0.45 0.00 0.00 34.95 34.89 1wpi s ARG 49 CO 0.09 -0.49 1.08 -0.59 -0.68 0.00 0.00 175.30 174.71 1wpi s PHE 50 N -3.49 2.97 -1.12 -0.53 -0.71 -1.26 -4.68 117.98 109.16 1wpi s PHE 50 Ca 0.02 0.86 -0.16 0.00 -1.04 0.00 0.00 56.93 56.61 1wpi s PHE 50 Cb -0.01 -4.06 -0.06 0.00 -1.21 0.00 0.00 43.02 37.67 1wpi s PHE 50 CO -0.11 -1.04 2.15 -0.35 -1.34 0.00 0.00 175.22 174.53 1wpi n PRO 51 N 7.34 2.27 -1.72 1.99 -0.04 -1.26 -4.94 135.00 138.64 1wpi n PRO 51 Ca 0.11 -2.13 -0.36 0.00 -0.04 0.00 0.00 63.50 61.08 1wpi n PRO 51 Cb 0.48 -3.00 0.07 0.00 -0.04 0.00 0.00 33.50 31.01 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 3.90 2.24 0.26 0.52 -4.23 -1.26 -4.81 115.64 112.26 1wpi s THR 52 Ca 0.52 0.14 0.26 0.00 -1.18 0.00 0.00 61.69 61.44 1wpi s THR 52 Cb 0.14 -2.97 0.27 0.00 1.34 0.00 0.00 72.50 71.29 1wpi s THR 52 CO 0.01 -0.04 1.95 4.11 -0.54 0.00 0.00 174.62 180.10 1wpi h TRP 53 N 0.41 0.00 -0.30 3.99 0.09 -1.94 -0.59 115.95 117.61 1wpi h TRP 53 Ca -0.50 0.00 0.06 0.00 0.09 0.00 0.00 58.89 58.54 1wpi h TRP 53 Cb 1.32 0.00 -0.08 0.00 0.08 0.00 0.00 29.16 30.48 1wpi h TRP 53 CO 0.44 0.17 -0.42 -0.44 0.09 0.00 0.00 178.44 178.28 1wpi h ASP 54 N 0.00 -1.35 0.16 0.11 5.19 -1.98 2.11 116.42 120.67 1wpi h ASP 54 Ca -0.00 0.20 -0.27 0.00 -0.62 0.00 0.00 57.03 56.34 1wpi h ASP 54 Cb 0.55 0.58 0.01 0.00 0.18 0.00 0.00 39.33 40.65 1wpi h ASP 54 CO 0.02 -0.39 -1.29 1.56 -3.12 0.00 0.00 179.24 176.03 1wpi h GLN 55 N -0.38 0.34 -0.08 3.56 7.50 -1.91 -3.26 115.11 120.88 1wpi h GLN 55 Ca 0.12 -0.59 0.02 0.00 0.50 0.00 0.00 58.65 58.70 1wpi h GLN 55 Cb 0.59 0.22 -0.00 0.00 0.05 0.00 0.00 27.48 28.34 1wpi h GLN 55 CO -0.50 1.28 0.14 1.25 -1.50 0.00 0.00 178.83 179.50 1wpi h LEU 56 N -0.18 0.00 -1.57 1.46 6.46 -0.86 -1.66 115.31 118.97 1wpi h LEU 56 Ca -0.25 0.00 0.37 0.00 -0.12 0.00 0.00 57.88 57.88 1wpi h LEU 56 Cb 1.85 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.73 1wpi h LEU 56 CO 0.15 0.00 1.15 -0.61 -0.62 0.00 0.00 178.44 178.51 1wpi h GLN 57 N 0.00 0.00 0.15 1.25 -0.00 0.34 1.54 115.11 118.39 1wpi h GLN 57 Ca 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.68 1wpi h GLN 57 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.80 1wpi h GLN 57 CO -0.00 0.00 -0.07 1.88 0.00 0.00 0.00 178.83 180.64 1wpi h TYR 58 N 0.00 -0.19 -0.09 3.99 0.05 -1.55 -3.22 116.97 115.96 1wpi h TYR 58 Ca 0.60 -0.00 -0.15 0.00 0.05 0.00 0.00 58.73 59.23 1wpi h TYR 58 Cb 2.89 0.06 -0.01 0.00 1.01 0.00 0.00 36.73 40.68 1wpi h TYR 58 CO 0.00 0.24 -0.60 0.52 -1.05 0.00 0.00 178.16 177.27 1wpi h MET 59 N -0.91 0.30 -0.99 4.88 2.86 -0.20 -3.04 114.93 117.83 1wpi h MET 59 Ca -0.02 -0.20 0.21 0.00 -2.06 0.00 0.00 59.70 57.63 1wpi h MET 59 Cb 0.51 0.03 -0.09 0.00 0.06 0.00 0.00 31.60 32.10 1wpi h MET 59 CO 0.03 0.81 0.62 0.07 1.06 0.00 0.00 176.91 179.50 1wpi h ARG 60 N 0.22 0.58 -0.11 1.72 0.11 0.18 0.97 114.38 118.05 1wpi h ARG 60 Ca -0.00 -0.03 -0.17 0.00 0.10 0.00 0.00 59.98 59.87 1wpi h ARG 60 Cb 1.11 -0.13 0.01 0.00 1.11 0.00 0.00 29.97 32.07 1wpi h ARG 60 CO 0.10 0.38 -0.58 1.79 0.10 0.00 0.00 179.97 181.76 1wpi h THR 61 N 0.60 1.34 -0.21 0.08 1.35 -1.54 -2.96 112.91 111.57 1wpi h THR 61 Ca 0.56 -1.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 1wpi h THR 61 Cb 1.10 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 1wpi h THR 61 CO -0.32 0.57 0.00 -1.54 -0.25 0.00 0.00 175.52 173.99 1wpi n SER 62 N -4.15 1.90 -3.84 5.36 3.41 0.24 -4.75 113.62 111.79 1wpi n SER 62 Ca -0.08 -2.15 -0.14 0.00 -0.26 0.00 0.00 58.87 56.24 1wpi n SER 62 Cb 0.64 -0.36 -0.15 0.00 -0.26 0.00 0.00 64.21 64.08 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 6.63 0.39 0.00 0.00 0.13 -1.86 -3.13 132.00 134.17 1wpi h PRO 64 Ca -0.34 -0.39 -0.06 0.00 -0.87 0.00 0.00 66.00 64.35 1wpi h PRO 64 Cb 1.17 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1wpi h PRO 64 CO 0.50 1.05 -0.35 0.37 -0.23 0.00 0.00 178.00 179.33 1wpi h GLN 65 N 0.24 0.00 0.00 0.86 4.15 -1.95 -3.47 115.11 114.94 1wpi h GLN 65 Ca -0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1wpi h GLN 65 Cb 1.47 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.16 1wpi h GLN 65 CO 0.15 0.26 0.00 0.41 -1.93 0.00 0.00 178.83 177.72 1wpi n GLY 66 N 1.18 1.61 0.16 2.39 0.00 -1.18 0.72 105.19 110.06 1wpi n GLY 66 Ca 0.02 0.26 -0.11 0.00 0.00 0.00 0.00 46.02 46.19 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 0.35 -1.29 1.61 0.13 -1.91 -3.11 132.00 127.79 1wpi h PRO 67 Ca 0.00 -0.34 0.37 0.00 -0.87 0.00 0.00 66.00 65.16 1wpi h PRO 67 Cb 0.00 0.09 -0.06 0.00 0.13 0.00 0.00 31.00 31.16 1wpi h PRO 67 CO 0.00 1.01 0.92 -0.39 -0.23 0.00 0.00 178.00 179.31 1wpi h VAL 68 N 0.22 0.35 -0.03 1.56 -1.51 -0.07 1.78 116.25 118.54 1wpi h VAL 68 Ca -0.05 -0.01 -0.10 0.00 -1.23 0.00 0.00 66.70 65.30 1wpi h VAL 68 Cb 1.45 0.30 0.01 0.00 -2.13 0.00 0.00 31.29 30.92 1wpi h VAL 68 CO 0.14 0.01 -0.38 -1.28 -1.23 0.00 0.00 177.57 174.83 1wpi h SER 69 N 0.04 0.38 -0.06 4.19 0.87 -1.03 0.73 113.55 118.68 1wpi h SER 69 Ca 0.63 -0.72 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 1wpi h SER 69 Cb 2.42 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 64.26 1wpi h SER 69 CO -0.05 1.04 -0.04 -0.07 -0.53 0.00 0.00 176.83 177.18 1wpi h LEU 70 N -0.24 0.13 0.26 2.23 -0.00 0.44 -1.34 115.31 116.78 1wpi h LEU 70 Ca -0.04 -0.46 -0.01 0.00 -0.00 0.00 0.00 57.88 57.37 1wpi h LEU 70 Cb 1.07 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 1wpi h LEU 70 CO 0.08 0.56 -0.12 1.56 -0.00 0.00 0.00 178.44 180.51 1wpi h GLN 71 N -0.29 -0.33 -0.01 1.13 1.08 0.22 -1.16 115.11 115.74 1wpi h GLN 71 Ca 0.01 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1wpi h GLN 71 Cb 0.52 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1wpi h GLN 71 CO 0.01 -0.22 0.03 0.00 -0.95 0.00 0.00 178.83 177.70 1wpi h ARG 72 N -0.35 0.00 -0.15 1.46 2.47 -0.88 -0.15 114.38 116.78 1wpi h ARG 72 Ca -0.04 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.48 1wpi h ARG 72 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 1wpi h ARG 72 CO 0.06 0.00 -0.73 0.37 0.56 0.00 0.00 179.97 180.23 1wpi h GLN 73 N 0.00 0.68 -7.36 0.04 5.75 -0.03 -3.45 115.11 110.74 1wpi h GLN 73 Ca 0.00 -0.53 -0.49 0.00 -0.15 0.00 0.00 58.65 57.49 1wpi h GLN 73 Cb 0.06 0.10 0.07 0.00 1.07 0.00 0.00 27.48 28.78 1wpi h GLN 73 CO -0.00 1.15 0.34 -1.50 -2.65 0.00 0.00 178.83 176.17 1wpi s ILE 74 N -3.77 3.61 0.09 2.39 2.07 -0.07 -4.72 121.20 120.80 1wpi s ILE 74 Ca -0.09 0.35 -0.30 0.00 -1.41 0.00 0.00 60.65 59.20 1wpi s ILE 74 Cb 0.09 -3.49 -0.06 0.00 0.13 0.00 0.00 42.46 39.13 1wpi s ILE 74 CO 0.88 -0.61 1.15 -2.16 -1.91 0.00 0.00 174.94 172.30 1wpi s PRO 75 N -5.24 4.48 -0.03 3.50 0.04 -1.26 -3.96 135.00 132.54 1wpi s PRO 75 Ca 0.57 1.72 -0.00 0.00 0.04 0.00 0.00 61.00 63.33 1wpi s PRO 75 Cb -0.11 -3.34 -0.00 0.00 0.04 0.00 0.00 34.50 31.09 1wpi s PRO 75 CO 0.50 -0.15 0.02 1.17 0.04 0.00 0.00 177.00 178.58 1wpi n LYS 76 N 3.51 -0.05 0.29 4.56 4.81 -1.26 -4.72 118.16 125.30 1wpi n LYS 76 Ca 0.07 0.20 -0.15 0.00 -0.87 0.00 0.00 58.31 57.55 1wpi n LYS 76 Cb 0.47 -1.62 -0.08 0.00 0.02 0.00 0.00 35.03 33.82 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 -0.02 -1.06 -1.36 3.14 -0.00 -1.76 0.61 115.31 114.86 1wpi h LEU 77 Ca -0.01 0.07 0.23 0.00 -0.00 0.00 0.00 57.88 58.17 1wpi h LEU 77 Cb 1.01 0.33 -0.03 0.00 -0.00 0.00 0.00 40.66 41.96 1wpi h LEU 77 CO 0.01 -0.57 0.95 -2.24 -0.00 0.00 0.00 178.44 176.59 1wpi h ASP 78 N -0.89 0.00 0.00 -0.43 2.03 -1.92 10.41 116.42 125.62 1wpi h ASP 78 Ca -0.07 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 1wpi h ASP 78 Cb 0.74 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.24 1wpi h ASP 78 CO 0.02 0.00 -0.15 0.77 -1.03 0.00 0.00 179.24 178.85 1wpi h SER 79 N 0.00 0.00 0.06 4.15 4.64 -1.35 -3.29 113.55 117.77 1wpi h SER 79 Ca 0.38 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.45 1wpi h SER 79 Cb 2.27 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 64.38 1wpi h SER 79 CO -0.00 0.51 -0.98 1.62 -0.87 0.00 0.00 176.83 177.11 1wpi h VAL 80 N -0.88 1.31 0.00 0.95 3.04 0.28 1.78 116.25 122.72 1wpi h VAL 80 Ca 0.00 -2.25 0.00 0.00 -1.01 0.00 0.00 66.70 63.44 1wpi h VAL 80 Cb 0.15 2.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.75 1wpi h VAL 80 CO 0.00 0.69 0.20 0.17 -1.01 0.00 0.00 177.57 177.62 1wpi h LEU 81 N 0.38 0.00 0.00 3.16 8.10 2.25 -3.37 115.31 125.83 1wpi h LEU 81 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.88 1wpi h LEU 81 Cb 1.62 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.84 1wpi h LEU 81 CO 0.19 0.00 0.00 1.17 -4.11 0.00 0.00 178.44 175.69 1wpi n LYS 82 N -2.33 0.00 0.00 0.17 3.00 -1.09 -4.95 118.16 112.95 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 0.23 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.26 1wpi n LYS 82 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1wpi n TYR 83 N 0.00 0.00 0.00 5.64 4.01 -1.01 -4.91 117.16 120.89 1wpi n TYR 83 Ca 0.00 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1wpi n TYR 83 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1wpi n TYR 83 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1wpi n LYS 84 N -0.04 2.75 -0.25 -0.72 0.00 0.60 -3.20 118.16 117.31 1wpi n LYS 84 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 58.31 58.50 1wpi n LYS 84 Cb 0.27 0.00 0.30 0.00 0.00 0.00 0.00 35.03 35.61 1wpi n LYS 84 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1wpi n HIS 85 N 0.00 0.11 -0.21 5.64 8.25 -1.25 0.33 115.22 128.08 1wpi n HIS 85 Ca 0.00 0.11 0.31 0.00 -0.26 0.00 0.00 57.72 57.88 1wpi n HIS 85 Cb 0.00 -0.37 0.68 0.00 1.12 0.00 0.00 29.99 31.42 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 0.25 0.00 1.59 1.03 -1.74 -3.16 112.91 110.88 1wpi h THR 86 Ca 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.76 1wpi h THR 86 Cb 1.35 0.34 0.00 0.00 -1.07 0.00 0.00 68.15 68.77 1wpi h THR 86 CO -0.07 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 175.91 1wpi n ASP 87 N -3.78 0.00 -0.83 0.00 9.92 0.99 -3.83 116.55 119.02 1wpi n ASP 87 Ca 0.21 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.47 1wpi n ASP 87 Cb 1.21 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.69 1wpi n ASP 87 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1wpi n PRO 88 N 0.00 0.75 -0.07 -0.24 -0.04 -1.26 -2.92 135.00 131.21 1wpi n PRO 88 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 1wpi n PRO 88 Cb 0.00 -1.21 -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 0.45 1.62 -0.07 0.52 5.66 -1.24 -4.61 114.28 116.61 1wpi n THR 89 Ca 0.00 -0.49 -0.07 0.00 -3.05 0.00 0.00 64.05 60.44 1wpi n THR 89 Cb 0.31 -1.72 -0.12 0.00 -1.55 0.00 0.00 70.33 67.26 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 -3.69 0.00 0.00 1.09 3.72 -1.19 -4.51 117.46 112.88 1wpi n PHE 90 Ca -0.39 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 1wpi n PHE 90 Cb 0.95 -0.73 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 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 2.08 -0.83 0.20 1.37 0.00 -1.15 0.10 105.19 106.97 1wpi n GLY 91 Ca -0.24 0.00 0.02 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 -0.07 -3.86 1.61 -0.00 -1.26 -2.88 117.12 110.66 1wpi n MET 92 Ca 0.00 0.83 -0.30 0.00 -0.00 0.00 0.00 57.70 58.23 1wpi n MET 92 Cb 0.00 -1.24 -0.15 0.00 -0.00 0.00 0.00 33.22 31.83 1wpi n MET 92 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1wpi s ASP 93 N -5.15 4.25 -0.07 3.17 2.15 -1.21 -4.68 116.67 115.12 1wpi s ASP 93 Ca -0.08 -1.75 0.19 0.00 0.43 0.00 0.00 52.55 51.34 1wpi s ASP 93 Cb 0.13 -1.16 -0.28 0.00 -0.30 0.00 0.00 42.92 41.31 1wpi s ASP 93 CO 0.41 -0.38 0.32 -0.11 -0.17 0.00 0.00 175.17 175.24 1wpi n LEU 94 N 4.62 0.00 0.13 -1.34 -0.00 0.29 -3.65 117.00 117.05 1wpi n LEU 94 Ca -0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.94 1wpi n LEU 94 Cb 0.42 0.14 -0.03 0.00 -0.00 0.00 0.00 43.42 43.95 1wpi n LEU 94 CO 0.16 0.14 0.22 0.06 -0.00 0.00 0.00 177.39 177.97 1wpi h GLN 95 N 0.00 -0.36 -0.20 1.96 3.07 -1.86 1.12 115.11 118.84 1wpi h GLN 95 Ca -0.15 0.02 0.06 0.00 0.09 0.00 0.00 58.65 58.67 1wpi h GLN 95 Cb 1.27 0.08 -0.01 0.00 0.08 0.00 0.00 27.48 28.90 1wpi h GLN 95 CO 0.01 -0.24 0.60 0.87 0.09 0.00 0.00 178.83 180.16 1wpi h LYS 96 N -0.74 0.00 0.00 0.06 1.79 -1.87 5.32 116.57 121.13 1wpi h LYS 96 Ca -0.04 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.31 1wpi h LYS 96 Cb 0.29 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.92 1wpi h LYS 96 CO 0.06 0.00 -0.89 0.00 -1.08 0.00 0.00 179.45 177.54 1wpi h VAL 98 N -1.00 0.00 0.00 0.00 2.07 0.44 1.48 116.25 119.24 1wpi h VAL 98 Ca -0.19 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1wpi h VAL 98 Cb 0.93 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1wpi h VAL 98 CO -0.11 0.00 0.72 1.56 0.02 0.00 0.00 177.57 179.76 1wpi h GLN 99 N -1.03 0.00 0.00 1.57 1.08 1.04 -3.30 115.11 114.46 1wpi h GLN 99 Ca -0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1wpi h GLN 99 Cb 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1wpi h GLN 99 CO 0.03 0.00 0.00 -2.13 -0.95 0.00 0.00 178.83 175.78 1wpi n ARG 100 N -2.57 0.00 0.00 1.46 0.00 -1.04 -4.68 116.66 109.82 1wpi n ARG 100 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1wpi n ARG 100 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.20 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 1.41 6.05 5.14 0.00 0.51 -4.18 105.19 114.11 1wpi n GLY 101 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.95 0.99 0.00 -1.22 -4.27 117.00 108.56 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 -0.24 0.26 0.00 0.00 0.00 177.39 177.41 1wpi s TRP 103 N 0.00 0.24 -0.45 1.96 0.51 -1.26 -5.12 118.94 114.81 1wpi s TRP 103 Ca 0.00 -0.56 -0.14 0.00 -2.12 0.00 0.00 56.10 53.28 1wpi s TRP 103 Cb 0.00 -0.17 0.07 0.00 -0.81 0.00 0.00 33.47 32.56 1wpi s TRP 103 CO 0.00 -0.35 0.35 -0.80 -0.51 0.00 0.00 176.95 175.64 1wpi s ASN 104 N -2.12 6.00 0.00 2.95 0.01 -1.26 -4.63 114.94 115.89 1wpi s ASN 104 Ca -0.05 -1.33 0.22 0.00 -0.71 0.00 0.00 52.86 51.00 1wpi s ASN 104 Cb -0.01 -2.13 1.03 0.00 0.41 0.00 0.00 41.25 40.55 1wpi s ASN 104 CO -0.05 -0.60 1.72 -0.81 -1.51 0.00 0.00 177.10 175.85 1wpi n PRO 105 N 5.12 0.16 -3.97 -0.60 -0.04 -1.26 -4.89 135.00 129.52 1wpi n PRO 105 Ca -0.12 0.10 -0.30 0.00 -0.04 0.00 0.00 63.50 63.14 1wpi n PRO 105 Cb 0.44 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.36 1wpi n PRO 105 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wpi n LYS 106 N -1.39 -0.70 -4.08 0.54 4.01 -1.25 -4.90 118.16 110.40 1wpi n LYS 106 Ca 0.08 0.01 -0.07 0.00 -0.51 0.00 0.00 58.31 57.81 1wpi n LYS 106 Cb 0.22 -2.32 -0.10 0.00 -0.51 0.00 0.00 35.03 32.31 1wpi n LYS 106 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1wpi s GLU 107 N -6.69 0.58 -0.09 1.97 0.41 -1.20 -4.89 118.70 108.79 1wpi s GLU 107 Ca 0.17 -1.14 0.00 0.00 -0.41 0.00 0.00 54.97 53.60 1wpi s GLU 107 Cb -0.10 0.18 -0.03 0.00 -1.78 0.00 0.00 34.13 32.41 1wpi s GLU 107 CO 0.78 -0.10 -0.09 0.00 -0.49 0.00 0.00 175.26 175.36 1wpi s ALA 108 N -3.55 2.84 -0.03 5.21 0.00 -1.26 -3.38 121.76 121.59 1wpi s ALA 108 Ca 0.04 -0.90 -0.18 0.00 0.00 0.00 0.00 51.96 50.93 1wpi s ALA 108 Cb 0.05 -1.22 -0.05 0.00 0.00 0.00 0.00 23.12 21.90 1wpi s ALA 108 CO -0.09 0.45 0.49 -0.51 0.00 0.00 0.00 175.76 176.10 1wpi s LEU 109 N -0.37 4.41 -0.16 0.00 1.02 0.55 -2.69 118.68 121.44 1wpi s LEU 109 Ca 0.05 0.99 0.00 0.00 0.02 0.00 0.00 54.13 55.19 1wpi s LEU 109 Cb -0.12 -2.72 0.03 0.00 0.02 0.00 0.00 46.19 43.39 1wpi s LEU 109 CO 0.02 0.17 -0.11 -1.66 0.02 0.00 0.00 176.35 174.80 1wpi s TRP 110 N -0.36 2.05 -0.03 0.29 1.48 -1.06 0.28 118.94 121.58 1wpi s TRP 110 Ca 0.26 -1.21 0.01 0.00 -1.06 0.00 0.00 56.10 54.11 1wpi s TRP 110 Cb -0.17 -1.50 0.01 0.00 -1.16 0.00 0.00 33.47 30.65 1wpi s TRP 110 CO 0.14 -0.65 -0.05 0.54 -4.06 0.00 0.00 176.95 172.86 1wpi s VAL 111 N 1.52 0.53 -0.04 -0.66 0.11 0.38 -1.69 120.40 120.54 1wpi s VAL 111 Ca 0.03 -0.17 0.03 0.00 -2.93 0.00 0.00 61.98 58.93 1wpi s VAL 111 Cb -0.14 -0.52 0.01 0.00 -1.53 0.00 0.00 36.38 34.20 1wpi s VAL 111 CO -0.09 0.20 -0.11 -1.81 -3.33 0.00 0.00 175.10 169.95 1wpi s ASP 112 N 0.56 1.57 0.00 3.54 1.11 0.15 0.13 116.67 123.73 1wpi s ASP 112 Ca -0.07 -0.25 0.00 0.00 0.18 0.00 0.00 52.55 52.40 1wpi s ASP 112 Cb -0.11 -0.55 0.00 0.00 1.07 0.00 0.00 42.92 43.33 1wpi s ASP 112 CO 0.00 0.06 0.00 1.87 1.18 0.00 0.00 175.17 178.28 1wpi n TRP 113 N 3.49 0.00 0.00 4.23 -0.00 -1.25 -2.69 117.44 121.22 1wpi n TRP 113 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.30 1wpi n TRP 113 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.84 1wpi n TRP 113 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 1wpi n GLU 114 N -1.74 0.00 -0.00 5.87 1.02 -1.26 0.29 120.64 124.82 1wpi n GLU 114 Ca 0.00 0.03 0.05 0.00 -0.02 0.00 0.00 57.16 57.21 1wpi n GLU 114 Cb 0.00 -1.51 -0.06 0.00 -0.02 0.00 0.00 31.44 29.85 1wpi n GLU 114 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1wpi n ASN 115 N -0.90 0.92 -3.40 1.62 3.02 -1.26 -3.74 115.26 111.52 1wpi n ASN 115 Ca 0.00 -0.58 -0.24 0.00 -0.03 0.00 0.00 54.58 53.73 1wpi n ASN 115 Cb 0.01 1.09 0.01 0.00 -0.61 0.00 0.00 39.78 40.28 1wpi n ASN 115 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1wpi n LYS 116 N -1.35 -3.96 -3.79 3.52 2.85 0.84 -4.66 118.16 111.60 1wpi n LYS 116 Ca 0.01 0.57 -0.23 0.00 -1.05 0.00 0.00 58.31 57.61 1wpi n LYS 116 Cb 0.17 -5.33 -0.17 0.00 -0.65 0.00 0.00 35.03 29.04 1wpi n LYS 116 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1wpi s LEU 117 N -6.66 0.64 0.26 -5.58 1.43 -1.10 -4.99 118.68 102.68 1wpi s LEU 117 Ca 0.43 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 1wpi s LEU 117 Cb -0.22 -0.43 -0.05 0.00 0.03 0.00 0.00 46.19 45.52 1wpi s LEU 117 CO 0.53 -0.18 0.07 -0.69 0.23 0.00 0.00 176.35 176.30 1wpi s VAL 118 N 1.89 0.72 0.00 -1.59 1.01 -1.26 0.31 120.40 121.48 1wpi s VAL 118 Ca 0.04 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.02 1wpi s VAL 118 Cb -0.12 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.68 1wpi s VAL 118 CO -0.05 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.57 1wpi n GLY 119 N -0.47 2.57 3.12 4.51 0.00 -0.68 -4.97 105.19 109.28 1wpi n GLY 119 Ca -0.02 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 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 4.06 0.00 1.61 4.22 -1.26 -2.57 114.94 121.00 1wpi s ASN 120 Ca 0.00 -1.05 0.00 0.00 -2.14 0.00 0.00 52.86 49.67 1wpi s ASN 120 Cb 0.00 -1.56 0.00 0.00 1.28 0.00 0.00 41.25 40.97 1wpi s ASN 120 CO 0.00 -0.12 0.00 -0.62 -2.04 0.00 0.00 177.10 174.32 1wpi n GLU 121 N 4.55 0.00 0.10 3.55 -0.58 -1.10 -4.92 120.64 122.25 1wpi n GLU 121 Ca -0.17 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.53 1wpi n GLU 121 Cb 0.46 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 31.39 1wpi n GLU 121 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1wpi h PRO 122 N 0.00 0.05 0.00 3.49 0.13 -1.96 -2.96 132.00 130.75 1wpi h PRO 122 Ca 0.00 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 65.04 1wpi h PRO 122 Cb 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 1wpi h PRO 122 CO 0.00 0.78 -0.23 0.00 -0.23 0.00 0.00 178.00 178.32 1wpi h ALA 123 N 1.20 1.32 -0.04 -0.56 0.00 -1.94 -2.78 119.26 116.46 1wpi h ALA 123 Ca -0.01 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1wpi h ALA 123 Cb 1.34 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1wpi h ALA 123 CO 0.10 0.29 -0.13 -0.44 0.00 0.00 0.00 179.25 179.07 1wpi h ASP 124 N 0.00 -0.39 -0.04 0.00 3.32 -1.87 0.28 116.42 117.71 1wpi h ASP 124 Ca -0.00 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.15 1wpi h ASP 124 Cb 0.51 0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.18 1wpi h ASP 124 CO 0.03 -0.18 -0.27 0.40 -1.72 0.00 0.00 179.24 177.50 1wpi h ILE 125 N -0.20 0.38 -0.08 0.35 2.04 -1.61 0.78 117.51 119.17 1wpi h ILE 125 Ca 0.06 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1wpi h ILE 125 Cb 0.28 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 1wpi h ILE 125 CO -0.16 0.00 -0.38 -0.78 0.00 0.00 0.00 178.15 176.83 1wpi h ASP 126 N -0.39 -1.17 -0.28 1.72 1.82 -1.40 2.84 116.42 119.58 1wpi h ASP 126 Ca 0.07 0.15 0.06 0.00 -0.39 0.00 0.00 57.03 56.93 1wpi h ASP 126 Cb 0.50 0.47 -0.06 0.00 0.68 0.00 0.00 39.33 40.92 1wpi h ASP 126 CO -0.27 -0.41 -0.14 0.11 -1.61 0.00 0.00 179.24 176.92 1wpi h LYS 127 N -0.48 -0.11 0.00 0.28 6.56 0.14 -3.21 116.57 119.76 1wpi h LYS 127 Ca 0.07 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 1wpi h LYS 127 Cb 0.60 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.29 1wpi h LYS 127 CO -0.35 -0.07 0.00 0.98 -2.06 0.00 0.00 179.45 177.95 1wpi n TYR 128 N -5.31 0.00 -3.84 -1.35 9.36 0.27 -4.84 117.16 111.45 1wpi n TYR 128 Ca -0.00 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.88 1wpi n TYR 128 Cb 0.23 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 38.82 1wpi n TYR 128 CO 0.00 0.00 0.00 0.96 0.22 0.00 0.00 176.86 178.04 1wpi s ILE 129 N 0.00 3.14 0.00 2.97 -0.00 0.91 -4.72 121.20 123.50 1wpi s ILE 129 Ca 0.00 -3.04 0.00 0.00 -0.00 0.00 0.00 60.65 57.61 1wpi s ILE 129 Cb 0.00 -3.11 0.00 0.00 -0.00 0.00 0.00 42.46 39.35 1wpi s ILE 129 CO 0.00 -0.82 0.00 2.30 -0.00 0.00 0.00 174.94 176.42 1wpi n ILE 130 N 3.41 0.00 0.33 8.37 -6.64 0.12 -4.13 119.36 120.81 1wpi n ILE 130 Ca 0.06 0.00 -0.17 0.00 -1.77 0.00 0.00 62.75 60.87 1wpi n ILE 130 Cb 0.36 0.00 -0.09 0.00 -1.44 0.00 0.00 39.64 38.47 1wpi n ILE 130 CO 0.00 0.00 0.00 1.56 -1.77 0.00 0.00 176.55 176.34 1wpi h GLN 131 N 0.00 -0.78 -2.29 6.28 7.50 -1.83 -3.41 115.11 120.59 1wpi h GLN 131 Ca 0.00 0.05 -0.11 0.00 0.50 0.00 0.00 58.65 59.09 1wpi h GLN 131 Cb 0.00 0.18 -0.28 0.00 0.05 0.00 0.00 27.48 27.42 1wpi h GLN 131 CO 0.00 -0.52 -0.41 1.03 -1.50 0.00 0.00 178.83 177.44 1wpi s ARG 132 N -6.07 0.33 0.00 1.46 3.00 -1.26 -4.86 118.95 111.55 1wpi s ARG 132 Ca -0.17 0.87 0.28 0.00 0.00 0.00 0.00 55.73 56.71 1wpi s ARG 132 Cb 0.04 0.07 0.99 0.00 0.00 0.00 0.00 34.95 36.05 1wpi s ARG 132 CO 0.62 -0.39 1.71 1.17 0.00 0.00 0.00 175.30 178.42