#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 -8.68 -3.73 7.83 7.64 -1.26 -5.02 113.62 110.41 1wpi n SER 2 Ca 0.00 1.24 -0.23 0.00 1.01 0.00 0.00 58.87 60.88 1wpi n SER 2 Cb 0.00 -4.57 -0.17 0.00 -1.01 0.00 0.00 64.21 58.46 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 -1.50 0.52 -0.14 1.43 0.08 -1.26 -4.99 117.98 112.12 1wpi s PHE 3 Ca 0.00 -0.16 0.15 0.00 0.12 0.00 0.00 56.93 57.04 1wpi s PHE 3 Cb 0.00 -0.74 0.01 0.00 -0.57 0.00 0.00 43.02 41.72 1wpi s PHE 3 CO 0.00 -0.35 1.31 2.35 -0.10 0.00 0.00 175.22 178.44 1wpi h TRP 4 N 8.35 0.00 0.08 0.36 2.91 -1.98 -3.27 115.95 122.40 1wpi h TRP 4 Ca -0.17 0.00 -0.32 0.00 1.13 0.00 0.00 58.89 59.53 1wpi h TRP 4 Cb 1.13 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.75 1wpi h TRP 4 CO 0.42 0.54 -1.77 0.87 -1.03 0.00 0.00 178.44 177.47 1wpi h LYS 5 N 0.00 0.16 0.00 2.65 6.56 -1.91 -3.44 116.57 120.59 1wpi h LYS 5 Ca -0.03 -0.28 0.00 0.00 -1.06 0.00 0.00 60.65 59.27 1wpi h LYS 5 Cb 1.44 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 33.21 1wpi h LYS 5 CO 0.06 0.93 0.00 -2.37 -2.06 0.00 0.00 179.45 176.01 1wpi n THR 6 N -3.32 0.00 -0.32 -0.16 5.66 -1.24 -4.60 114.28 110.31 1wpi n THR 6 Ca -0.23 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 60.82 1wpi n THR 6 Cb 1.05 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.81 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 -0.19 0.00 1.09 7.94 -1.26 -4.84 117.00 119.74 1wpi n LEU 7 Ca 0.00 0.43 -0.03 0.00 -1.11 0.00 0.00 56.01 55.29 1wpi n LEU 7 Cb 0.00 -1.02 0.03 0.00 0.53 0.00 0.00 43.42 42.96 1wpi n LEU 7 CO 0.00 -0.71 0.04 1.67 -1.11 0.00 0.00 177.39 177.28 1wpi n GLN 8 N -2.66 -0.78 -1.35 1.96 7.27 -1.26 -4.69 117.38 115.87 1wpi n GLN 8 Ca -0.01 -0.16 -0.53 0.00 0.07 0.00 0.00 57.00 56.38 1wpi n GLN 8 Cb 0.15 -0.27 -0.07 0.00 2.41 0.00 0.00 30.24 32.45 1wpi n GLN 8 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1wpi n ARG 9 N -1.44 0.00 -2.29 3.69 0.63 -1.26 -4.82 116.66 111.16 1wpi n ARG 9 Ca 0.02 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.53 1wpi n ARG 9 Cb 0.07 -1.33 -0.03 0.00 0.45 0.00 0.00 32.46 31.62 1wpi n ARG 9 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 1wpi s GLN 10 N -0.06 4.45 0.00 -0.14 -2.07 -1.26 -4.85 119.66 115.73 1wpi s GLN 10 Ca 0.81 1.99 0.00 0.00 -1.82 0.00 0.00 55.36 56.33 1wpi s GLN 10 Cb -1.13 -3.19 0.00 0.00 -1.09 0.00 0.00 33.01 27.60 1wpi s GLN 10 CO 0.52 -0.13 0.00 -0.35 -1.32 0.00 0.00 175.29 174.01 1wpi n PRO 11 N 2.12 1.52 0.10 9.60 -0.04 -1.26 -4.86 135.00 142.18 1wpi n PRO 11 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1wpi n PRO 11 Cb 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 1wpi n PRO 11 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wpi n ARG 12 N 0.00 0.00 -3.19 0.54 1.74 -1.26 -4.97 116.66 109.52 1wpi n ARG 12 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 1wpi n ARG 12 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.37 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 -1.58 5.03 -0.42 0.55 2.01 -1.26 -4.52 115.64 115.46 1wpi s THR 13 Ca 0.00 0.93 -0.20 0.00 0.31 0.00 0.00 61.69 62.74 1wpi s THR 13 Cb 0.00 -3.88 0.02 0.00 0.01 0.00 0.00 72.50 68.65 1wpi s THR 13 CO 0.00 0.03 0.58 -0.63 -0.69 0.00 0.00 174.62 173.92 1wpi s ILE 14 N 2.40 4.91 -0.41 1.82 -1.09 -1.25 -3.65 121.20 123.93 1wpi s ILE 14 Ca 0.23 0.08 -0.08 0.00 -2.23 0.00 0.00 60.65 58.64 1wpi s ILE 14 Cb -0.15 -4.13 0.08 0.00 -1.58 0.00 0.00 42.46 36.67 1wpi s ILE 14 CO 0.09 -0.50 0.24 -0.44 -1.23 0.00 0.00 174.94 173.10 1wpi s SER 15 N 1.92 5.57 -0.00 3.58 0.01 0.85 -1.22 113.70 124.40 1wpi s SER 15 Ca 0.20 -1.49 0.05 0.00 1.31 0.00 0.00 55.95 56.02 1wpi s SER 15 Cb -0.15 -1.96 -0.02 0.00 0.21 0.00 0.00 66.02 64.11 1wpi s SER 15 CO 0.17 -0.51 -0.17 -0.22 0.41 0.00 0.00 173.24 172.92 1wpi s LEU 16 N 1.40 2.06 0.31 2.44 2.96 -1.10 0.16 118.68 126.91 1wpi s LEU 16 Ca 0.03 -0.34 0.07 0.00 -0.22 0.00 0.00 54.13 53.67 1wpi s LEU 16 Cb -0.23 -0.87 -0.03 0.00 0.50 0.00 0.00 46.19 45.57 1wpi s LEU 16 CO 0.02 0.19 0.24 -0.36 -1.32 0.00 0.00 176.35 175.12 1wpi s PHE 17 N -0.48 2.95 -0.03 5.38 0.08 0.21 -2.74 117.98 123.35 1wpi s PHE 17 Ca 0.06 -0.24 -0.05 0.00 0.12 0.00 0.00 56.93 56.83 1wpi s PHE 17 Cb -0.07 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 1wpi s PHE 17 CO -0.00 0.31 0.19 0.99 -0.10 0.00 0.00 175.22 176.62 1wpi s THR 18 N -2.26 5.42 -0.11 0.64 2.01 -0.07 -2.90 115.64 118.37 1wpi s THR 18 Ca 0.38 0.00 0.21 0.00 0.31 0.00 0.00 61.69 62.59 1wpi s THR 18 Cb -0.06 -3.52 0.40 0.00 0.01 0.00 0.00 72.50 69.33 1wpi s THR 18 CO 0.26 0.40 1.16 -3.20 -0.69 0.00 0.00 174.62 172.55 1wpi n ASN 19 N 1.21 0.74 -1.09 3.53 5.15 -1.18 -4.09 115.26 119.53 1wpi n ASN 19 Ca -0.13 -2.02 0.11 0.00 -0.60 0.00 0.00 54.58 51.94 1wpi n ASN 19 Cb 0.53 -0.21 -0.05 0.00 -0.53 0.00 0.00 39.78 39.52 1wpi n ASN 19 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1wpi n ASP 20 N -0.09 -5.03 0.00 1.20 -0.08 -1.24 -2.05 116.55 109.26 1wpi n ASP 20 Ca 0.00 0.81 0.00 0.00 -1.51 0.00 0.00 54.79 54.09 1wpi n ASP 20 Cb 0.96 -3.61 0.00 0.00 2.34 0.00 0.00 41.12 40.81 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 -3.69 0.00 -1.33 5.18 -0.00 -1.26 -2.01 119.36 116.25 1wpi n ILE 21 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.70 1wpi n ILE 21 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.13 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 -2.43 0.00 0.00 -1.39 0.00 -1.26 -4.73 120.51 110.70 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 -4.89 0.00 7.64 -1.26 -3.98 113.62 111.13 1wpi n SER 23 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 1wpi n SER 23 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1wpi n SER 23 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1wpi s ASN 24 N -0.96 6.55 -0.13 6.43 2.47 -1.26 -5.00 114.94 123.03 1wpi s ASN 24 Ca 0.00 0.70 -0.27 0.00 0.42 0.00 0.00 52.86 53.71 1wpi s ASN 24 Cb 0.00 -2.14 -0.24 0.00 -1.45 0.00 0.00 41.25 37.42 1wpi s ASN 24 CO 0.00 0.04 0.77 0.40 -3.72 0.00 0.00 177.10 174.60 1wpi h ILE 25 N 2.18 1.65 0.00 -5.21 1.08 -1.94 -2.95 117.51 112.32 1wpi h ILE 25 Ca -0.47 -2.15 -0.14 0.00 -0.39 0.00 0.00 64.86 61.71 1wpi h ILE 25 Cb 1.17 3.08 -0.02 0.00 -3.07 0.00 0.00 36.82 37.98 1wpi h ILE 25 CO 0.71 0.54 -0.79 0.07 -0.69 0.00 0.00 178.15 177.99 1wpi h LYS 26 N -0.95 0.00 -0.59 2.37 2.10 -1.94 -2.31 116.57 115.25 1wpi h LYS 26 Ca -0.00 0.00 0.12 0.00 -2.00 0.00 0.00 60.65 58.77 1wpi h LYS 26 Cb 0.89 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 32.11 1wpi h LYS 26 CO 0.00 0.87 -0.18 0.66 -2.00 0.00 0.00 179.45 178.80 1wpi h SER 27 N -1.00 -0.67 -0.26 7.07 4.64 -1.95 -0.42 113.55 120.97 1wpi h SER 27 Ca -0.21 0.19 -0.12 0.00 -0.47 0.00 0.00 61.79 61.19 1wpi h SER 27 Cb 1.10 0.41 -0.00 0.00 -0.31 0.00 0.00 62.40 63.59 1wpi h SER 27 CO -0.13 -0.22 -0.29 -0.61 -0.87 0.00 0.00 176.83 174.71 1wpi h GLN 28 N -0.04 0.65 0.00 4.77 5.75 -1.68 3.65 115.11 128.20 1wpi h GLN 28 Ca 0.28 -0.36 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 1wpi h GLN 28 Cb 0.47 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.04 1wpi h GLN 28 CO -0.63 0.96 0.00 1.17 -2.65 0.00 0.00 178.83 177.69 1wpi n LYS 29 N -4.29 0.00 -0.09 1.69 0.00 -0.18 -3.21 118.16 112.07 1wpi n LYS 29 Ca -0.04 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.11 1wpi n LYS 29 Cb 0.47 -0.09 -0.14 0.00 0.00 0.00 0.00 35.03 35.28 1wpi n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wpi h LEU 31 N 0.01 0.28 0.03 0.00 3.38 -1.26 1.87 115.31 119.62 1wpi h LEU 31 Ca -0.53 0.13 -0.28 0.00 0.09 0.00 0.00 57.88 57.30 1wpi h LEU 31 Cb 2.03 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 42.85 1wpi h LEU 31 CO -0.02 -0.13 -1.50 1.56 0.09 0.00 0.00 178.44 178.44 1wpi h GLN 32 N 0.14 0.06 -0.09 1.13 1.08 0.69 -1.97 115.11 116.15 1wpi h GLN 32 Ca 0.77 -0.10 -0.02 0.00 -1.45 0.00 0.00 58.65 57.86 1wpi h GLN 32 Cb 2.35 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 29.81 1wpi h GLN 32 CO -0.40 0.78 -0.00 1.25 -0.95 0.00 0.00 178.83 179.51 1wpi h LEU 33 N 0.02 0.17 -0.21 1.46 5.85 0.23 -2.70 115.31 120.12 1wpi h LEU 33 Ca -0.21 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1wpi h LEU 33 Cb 1.95 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.93 1wpi h LEU 33 CO 0.11 0.44 0.00 0.17 -0.34 0.00 0.00 178.44 178.82 1wpi h LEU 34 N -0.11 0.00 -2.37 2.25 8.10 0.99 -3.05 115.31 121.11 1wpi h LEU 34 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.02 1wpi h LEU 34 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.58 1wpi h LEU 34 CO 0.01 0.00 0.18 0.50 -4.11 0.00 0.00 178.44 175.01 1wpi h LYS 35 N 0.00 0.00 0.00 0.17 3.64 -1.00 -3.16 116.57 116.22 1wpi h LYS 35 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1wpi h LYS 35 Cb 0.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1wpi h LYS 35 CO 0.00 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.59 1wpi n GLY 36 N -1.17 -2.63 3.95 5.01 0.00 -1.16 -4.85 105.19 104.35 1wpi n GLY 36 Ca -0.02 0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 1wpi n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wpi s ASP 37 N -2.31 5.30 0.16 1.61 1.01 -1.19 -5.14 116.67 116.10 1wpi s ASP 37 Ca 0.00 -0.63 -0.09 0.00 0.71 0.00 0.00 52.55 52.53 1wpi s ASP 37 Cb 0.00 -0.51 -0.01 0.00 1.01 0.00 0.00 42.92 43.42 1wpi s ASP 37 CO 0.00 -0.77 0.29 -0.69 0.21 0.00 0.00 175.17 174.21 1wpi s VAL 38 N -2.45 0.07 -0.16 -1.27 1.01 -1.26 -4.72 120.40 111.62 1wpi s VAL 38 Ca 0.52 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1wpi s VAL 38 Cb -0.06 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1wpi s VAL 38 CO 0.31 -0.32 0.00 -0.24 0.00 0.00 0.00 175.10 174.85 1wpi n SER 39 N -0.21 0.00 -3.18 3.32 2.88 -1.26 -5.01 113.62 110.16 1wpi n SER 39 Ca -0.08 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.47 1wpi n SER 39 Cb 0.63 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.07 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 -4.00 -1.62 0.00 0.66 2.46 -1.26 -5.00 115.29 106.52 1wpi s HIS 40 Ca 0.00 1.18 0.00 0.00 0.47 0.00 0.00 55.06 56.71 1wpi s HIS 40 Cb 0.00 0.32 0.00 0.00 -0.13 0.00 0.00 32.58 32.77 1wpi s HIS 40 CO 0.00 -0.99 0.00 2.89 -2.47 0.00 0.00 174.74 174.17 1wpi n ARG 41 N 5.41 0.00 -4.15 2.88 0.00 -1.26 -5.15 116.66 114.39 1wpi n ARG 41 Ca 0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.76 1wpi n ARG 41 Cb 0.52 -0.08 -0.09 0.00 -0.00 0.00 0.00 32.46 32.82 1wpi n ARG 41 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1wpi s PHE 42 N -1.68 0.96 -0.17 2.89 0.40 -1.26 -5.06 117.98 114.05 1wpi s PHE 42 Ca 0.00 -1.21 -0.06 0.00 -0.60 0.00 0.00 56.93 55.06 1wpi s PHE 42 Cb 0.00 -0.35 -0.04 0.00 0.51 0.00 0.00 43.02 43.14 1wpi s PHE 42 CO 0.00 -0.75 0.04 -0.51 0.70 0.00 0.00 175.22 174.69 1wpi s ASP 43 N -3.13 5.42 -0.02 1.36 1.01 -1.26 -4.72 116.67 115.34 1wpi s ASP 43 Ca 0.34 0.04 -0.07 0.00 0.71 0.00 0.00 52.55 53.57 1wpi s ASP 43 Cb 0.05 -1.90 -0.05 0.00 1.01 0.00 0.00 42.92 42.03 1wpi s ASP 43 CO 0.12 0.19 0.25 -0.69 0.21 0.00 0.00 175.17 175.25 1wpi s VAL 44 N 0.28 5.32 -0.28 -1.27 1.01 -1.26 -3.79 120.40 120.41 1wpi s VAL 44 Ca 0.02 0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.17 1wpi s VAL 44 Cb -0.13 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 1wpi s VAL 44 CO 0.01 0.44 0.07 -0.70 0.00 0.00 0.00 175.10 174.92 1wpi s GLU 45 N -1.54 3.28 -0.33 2.72 -6.30 -0.36 -4.97 118.70 111.20 1wpi s GLU 45 Ca 0.24 -0.73 -0.01 0.00 -2.50 0.00 0.00 54.97 51.98 1wpi s GLU 45 Cb -0.13 -3.35 0.07 0.00 0.00 0.00 0.00 34.13 30.72 1wpi s GLU 45 CO 0.13 -0.36 0.05 0.42 0.02 0.00 0.00 175.26 175.53 1wpi s ILE 46 N 1.54 2.88 -0.00 -3.70 1.09 -1.26 -2.69 121.20 119.04 1wpi s ILE 46 Ca 0.04 -1.74 0.01 0.00 -1.10 0.00 0.00 60.65 57.86 1wpi s ILE 46 Cb -0.16 -2.81 0.00 0.00 -1.06 0.00 0.00 42.46 38.42 1wpi s ILE 46 CO 0.03 -0.33 -0.02 0.00 -0.10 0.00 0.00 174.94 174.51 1wpi s ALA 47 N 1.15 0.21 -0.34 9.38 0.00 -1.11 -5.05 121.76 126.00 1wpi s ALA 47 Ca 0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 51.96 51.75 1wpi s ALA 47 Cb -0.20 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1wpi s ALA 47 CO -0.03 0.04 0.24 0.54 0.00 0.00 0.00 175.76 176.55 1wpi s ASN 48 N 0.02 6.06 -0.04 0.00 2.20 -1.26 -0.89 114.94 121.04 1wpi s ASN 48 Ca 0.00 -0.41 -0.31 0.00 -0.94 0.00 0.00 52.86 51.20 1wpi s ASN 48 Cb -0.02 -2.14 0.11 0.00 -2.00 0.00 0.00 41.25 37.20 1wpi s ASN 48 CO -0.00 -0.23 1.14 -0.13 -2.94 0.00 0.00 177.10 174.93 1wpi s ARG 49 N 1.73 0.59 0.08 3.55 0.52 -1.26 -4.54 118.95 119.62 1wpi s ARG 49 Ca 0.06 -0.28 -0.25 0.00 -0.52 0.00 0.00 55.73 54.74 1wpi s ARG 49 Cb -0.17 0.23 -0.06 0.00 0.52 0.00 0.00 34.95 35.46 1wpi s ARG 49 CO 0.11 -0.26 0.78 0.12 0.02 0.00 0.00 175.30 176.06 1wpi s PHE 50 N -2.70 3.79 -1.10 -0.53 5.36 -1.21 -4.37 117.98 117.23 1wpi s PHE 50 Ca 0.11 1.54 -0.18 0.00 -0.96 0.00 0.00 56.93 57.44 1wpi s PHE 50 Cb 0.01 -2.82 -0.07 0.00 -0.34 0.00 0.00 43.02 39.80 1wpi s PHE 50 CO -0.04 0.34 2.08 -0.35 -1.46 0.00 0.00 175.22 175.79 1wpi n PRO 51 N 2.46 2.15 -1.70 10.12 -0.04 -1.26 -4.76 135.00 141.97 1wpi n PRO 51 Ca -0.03 -2.19 -0.43 0.00 -0.04 0.00 0.00 63.50 60.81 1wpi n PRO 51 Cb 0.50 -3.08 -0.01 0.00 -0.04 0.00 0.00 33.50 30.86 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 5.54 1.66 0.02 0.52 -2.24 -1.26 -4.54 114.28 113.98 1wpi n THR 52 Ca 0.51 -0.41 0.22 0.00 -2.27 0.00 0.00 64.05 62.09 1wpi n THR 52 Cb 0.39 -1.59 0.73 0.00 -2.10 0.00 0.00 70.33 67.76 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 3.16 0.00 -0.04 4.78 0.09 -1.93 0.61 115.95 122.62 1wpi h TRP 53 Ca -0.46 0.00 0.03 0.00 0.09 0.00 0.00 58.89 58.55 1wpi h TRP 53 Cb 1.28 0.00 -0.06 0.00 0.08 0.00 0.00 29.16 30.46 1wpi h TRP 53 CO 0.53 0.00 -0.45 -0.44 0.09 0.00 0.00 178.44 178.17 1wpi h ASP 54 N 0.00 -1.39 0.00 0.11 5.19 -1.98 1.11 116.42 119.45 1wpi h ASP 54 Ca 0.25 0.17 -0.13 0.00 -0.62 0.00 0.00 57.03 56.70 1wpi h ASP 54 Cb 1.21 0.55 -0.02 0.00 0.18 0.00 0.00 39.33 41.25 1wpi h ASP 54 CO -0.00 -0.47 -0.71 1.56 -3.12 0.00 0.00 179.24 176.50 1wpi h GLN 55 N -0.58 0.00 -0.50 3.56 4.20 -1.41 -3.32 115.11 117.07 1wpi h GLN 55 Ca 0.05 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.90 1wpi h GLN 55 Cb 0.67 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1wpi h GLN 55 CO -0.36 0.93 0.55 1.25 -0.67 0.00 0.00 178.83 180.53 1wpi h LEU 56 N -1.00 0.00 -1.61 1.46 6.46 0.12 -0.09 115.31 120.64 1wpi h LEU 56 Ca -0.19 0.00 0.43 0.00 -0.12 0.00 0.00 57.88 58.00 1wpi h LEU 56 Cb 1.11 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.99 1wpi h LEU 56 CO -0.12 0.00 1.27 1.56 -0.62 0.00 0.00 178.44 180.53 1wpi h GLN 57 N 0.00 0.00 0.04 1.25 1.08 0.12 1.46 115.11 119.06 1wpi h GLN 57 Ca 0.24 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.44 1wpi h GLN 57 Cb 1.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.77 1wpi h GLN 57 CO -0.00 0.00 -0.02 1.88 -0.95 0.00 0.00 178.83 179.74 1wpi h TYR 58 N 0.00 -0.05 -0.03 2.96 0.05 -1.25 -3.16 116.97 115.49 1wpi h TYR 58 Ca 0.71 -0.00 -0.22 0.00 0.05 0.00 0.00 58.73 59.26 1wpi h TYR 58 Cb 3.24 0.01 0.00 0.00 1.01 0.00 0.00 36.73 41.00 1wpi h TYR 58 CO 0.00 0.57 -0.89 0.52 -1.05 0.00 0.00 178.16 177.32 1wpi h MET 59 N -0.72 0.48 -0.13 4.88 2.86 0.81 -2.99 114.93 120.12 1wpi h MET 59 Ca -0.00 -0.47 0.04 0.00 -2.06 0.00 0.00 59.70 57.20 1wpi h MET 59 Cb 0.64 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 1wpi h MET 59 CO 0.01 1.11 0.27 0.07 1.06 0.00 0.00 176.91 179.43 1wpi h ARG 60 N 0.29 0.00 0.09 1.72 0.11 0.14 -0.48 114.38 116.26 1wpi h ARG 60 Ca -0.07 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.74 1wpi h ARG 60 Cb 1.51 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.58 1wpi h ARG 60 CO 0.16 0.00 -1.42 1.79 0.10 0.00 0.00 179.97 180.59 1wpi h THR 61 N 0.00 0.98 -1.03 0.08 1.35 -1.49 -3.35 112.91 109.44 1wpi h THR 61 Ca 0.06 -2.35 0.28 0.00 -0.55 0.00 0.00 66.41 63.85 1wpi h THR 61 Cb 0.60 2.62 -0.12 0.00 -1.73 0.00 0.00 68.15 69.52 1wpi h THR 61 CO -0.00 0.66 0.63 0.77 -0.25 0.00 0.00 175.52 177.33 1wpi h SER 62 N -0.39 0.56 -4.73 5.36 4.64 -0.96 -3.41 113.55 114.62 1wpi h SER 62 Ca -0.32 0.14 -0.24 0.00 -0.47 0.00 0.00 61.79 60.90 1wpi h SER 62 Cb 1.70 0.06 -0.18 0.00 -0.31 0.00 0.00 62.40 63.66 1wpi h SER 62 CO 0.02 0.03 -0.71 0.00 -0.87 0.00 0.00 176.83 175.29 1wpi h PRO 64 N 3.74 0.19 -0.59 0.00 0.13 -1.80 -2.98 132.00 130.70 1wpi h PRO 64 Ca -0.35 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1wpi h PRO 64 Cb 1.18 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1wpi h PRO 64 CO 0.53 0.89 0.00 1.04 -0.23 0.00 0.00 178.00 180.23 1wpi n GLN 65 N -3.71 2.64 -0.03 0.86 6.02 -1.26 -4.39 117.38 117.52 1wpi n GLN 65 Ca -0.03 -2.13 -0.08 0.00 -0.01 0.00 0.00 57.00 54.75 1wpi n GLN 65 Cb 0.76 -1.57 -0.02 0.00 1.02 0.00 0.00 30.24 30.43 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 4.66 0.04 0.26 1.08 0.00 -1.75 0.44 103.07 107.80 1wpi h GLY 66 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1wpi h GLY 66 CO 0.07 -0.13 -0.08 -0.56 0.00 0.00 0.00 176.54 175.84 1wpi h PRO 67 N -0.10 -0.22 -1.12 4.80 0.13 -1.80 -3.21 132.00 130.47 1wpi h PRO 67 Ca 0.11 0.01 0.32 0.00 -0.87 0.00 0.00 66.00 65.57 1wpi h PRO 67 Cb 0.26 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 31.39 1wpi h PRO 67 CO -0.25 0.11 0.82 -0.39 -0.23 0.00 0.00 178.00 178.07 1wpi h VAL 68 N -0.97 0.41 -0.21 1.56 -1.51 -1.80 1.53 116.25 115.27 1wpi h VAL 68 Ca -0.02 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.43 1wpi h VAL 68 Cb 0.43 0.42 -0.01 0.00 -2.13 0.00 0.00 31.29 30.00 1wpi h VAL 68 CO 0.04 0.00 0.06 0.28 -1.23 0.00 0.00 177.57 176.72 1wpi h SER 69 N 0.00 0.26 0.10 4.19 0.02 -0.12 1.12 113.55 119.13 1wpi h SER 69 Ca 0.53 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.46 1wpi h SER 69 Cb 2.17 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.65 1wpi h SER 69 CO -0.01 0.26 -0.05 -0.07 -1.14 0.00 0.00 176.83 175.83 1wpi h LEU 70 N 0.29 -0.12 -0.71 5.07 -0.00 0.21 -1.45 115.31 118.60 1wpi h LEU 70 Ca 0.07 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 58.06 1wpi h LEU 70 Cb 0.10 0.03 -0.08 0.00 -0.00 0.00 0.00 40.66 40.72 1wpi h LEU 70 CO -0.00 0.19 0.33 0.06 -0.00 0.00 0.00 178.44 179.01 1wpi h GLN 71 N -0.68 0.54 0.00 1.13 3.07 -1.40 0.43 115.11 118.19 1wpi h GLN 71 Ca -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.69 1wpi h GLN 71 Cb 0.11 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 27.55 1wpi h GLN 71 CO 0.02 0.35 0.00 0.00 0.09 0.00 0.00 178.83 179.30 1wpi h ARG 72 N 0.55 0.00 -0.44 0.06 2.47 0.12 -2.65 114.38 114.49 1wpi h ARG 72 Ca 0.36 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.96 1wpi h ARG 72 Cb 0.42 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 1wpi h ARG 72 CO -0.30 0.00 -0.22 1.96 0.56 0.00 0.00 179.97 181.97 1wpi h GLN 73 N 0.00 0.88 -6.78 0.04 4.20 0.98 -3.43 115.11 111.00 1wpi h GLN 73 Ca 0.00 -0.37 -0.48 0.00 0.06 0.00 0.00 58.65 57.86 1wpi h GLN 73 Cb 0.46 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1wpi h GLN 73 CO 0.00 1.02 0.34 0.42 -0.67 0.00 0.00 178.83 179.93 1wpi s ILE 74 N -4.64 4.15 -1.10 2.54 1.01 -1.00 -4.89 121.20 117.26 1wpi s ILE 74 Ca -0.10 1.96 -0.18 0.00 0.00 0.00 0.00 60.65 62.32 1wpi s ILE 74 Cb 0.13 -4.20 -0.06 0.00 0.01 0.00 0.00 42.46 38.34 1wpi s ILE 74 CO 0.85 0.37 2.05 -0.81 0.00 0.00 0.00 174.94 177.40 1wpi n PRO 75 N 1.14 2.15 0.00 2.79 -0.04 -1.26 -3.01 135.00 136.77 1wpi n PRO 75 Ca -0.01 -2.25 0.00 0.00 -0.04 0.00 0.00 63.50 61.20 1wpi n PRO 75 Cb 0.48 -3.13 0.00 0.00 -0.04 0.00 0.00 33.50 30.81 1wpi n PRO 75 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wpi n LYS 76 N 6.71 0.00 0.18 0.54 4.76 -1.26 -4.99 118.16 124.11 1wpi n LYS 76 Ca 0.50 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.78 1wpi n LYS 76 Cb 0.40 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.50 1wpi n LYS 76 CO 0.00 0.00 0.00 1.37 -1.37 0.00 0.00 177.40 177.40 1wpi h LEU 77 N 0.00 -1.46 -1.52 -0.35 -0.00 -1.64 0.39 115.31 110.73 1wpi h LEU 77 Ca 0.00 0.14 0.44 0.00 -0.00 0.00 0.00 57.88 58.46 1wpi h LEU 77 Cb 0.00 0.51 -0.06 0.00 -0.00 0.00 0.00 40.66 41.11 1wpi h LEU 77 CO 0.00 -0.59 1.19 -0.67 -0.00 0.00 0.00 178.44 178.38 1wpi n ASP 78 N -5.38 0.00 -0.07 0.17 -0.08 -1.26 0.63 116.55 110.55 1wpi n ASP 78 Ca -0.10 0.81 -0.06 0.00 -1.51 0.00 0.00 54.79 53.93 1wpi n ASP 78 Cb 0.42 -0.38 -0.03 0.00 2.34 0.00 0.00 41.12 43.47 1wpi n ASP 78 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1wpi h SER 79 N 0.00 0.00 0.05 1.67 0.02 -1.06 -3.34 113.55 110.90 1wpi h SER 79 Ca 0.72 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 61.48 1wpi h SER 79 Cb 3.10 0.00 0.01 0.00 0.14 0.00 0.00 62.40 65.65 1wpi h SER 79 CO -0.01 0.81 -0.43 1.62 -1.14 0.00 0.00 176.83 177.69 1wpi h VAL 80 N -1.00 1.59 0.00 2.27 3.04 0.41 1.72 116.25 124.28 1wpi h VAL 80 Ca -0.04 -2.28 0.00 0.00 -1.01 0.00 0.00 66.70 63.37 1wpi h VAL 80 Cb 0.54 3.07 0.00 0.00 -2.01 0.00 0.00 31.29 32.89 1wpi h VAL 80 CO -0.03 0.63 0.31 -0.11 -1.01 0.00 0.00 177.57 177.36 1wpi n LEU 81 N -4.37 0.24 0.00 3.16 7.94 2.76 -3.94 117.00 122.79 1wpi n LEU 81 Ca -0.11 0.47 0.00 0.00 -1.11 0.00 0.00 56.01 55.26 1wpi n LEU 81 Cb 0.63 -0.42 0.00 0.00 0.53 0.00 0.00 43.42 44.16 1wpi n LEU 81 CO 0.42 -0.55 0.00 0.29 -1.11 0.00 0.00 177.39 176.44 1wpi n LYS 82 N -1.85 0.00 0.00 1.96 4.01 -1.08 -4.92 118.16 116.27 1wpi n LYS 82 Ca -0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1wpi n LYS 82 Cb 0.32 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.84 1wpi n LYS 82 CO 0.00 0.00 0.00 0.98 -1.11 0.00 0.00 177.40 177.27 1wpi n TYR 83 N 0.00 0.00 0.00 2.13 4.19 -1.05 -4.93 117.16 117.50 1wpi n TYR 83 Ca 0.00 -0.01 0.00 0.00 3.31 0.00 0.00 57.90 61.20 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 -0.01 2.73 -0.18 2.98 0.00 0.58 -3.59 118.16 120.68 1wpi n LYS 84 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 58.31 58.53 1wpi n LYS 84 Cb 0.33 0.00 0.34 0.00 0.00 0.00 0.00 35.03 35.70 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 0.00 -0.19 5.64 8.25 -1.26 0.13 115.22 127.80 1wpi n HIS 85 Ca 0.00 0.00 0.30 0.00 -0.26 0.00 0.00 57.72 57.76 1wpi n HIS 85 Cb 0.00 -0.21 0.64 0.00 1.12 0.00 0.00 29.99 31.54 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 0.20 0.00 1.59 1.03 -1.74 -3.27 112.91 110.72 1wpi h THR 86 Ca 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.79 1wpi h THR 86 Cb 2.33 0.29 0.00 0.00 -1.07 0.00 0.00 68.15 69.70 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 -3.64 0.00 -0.48 0.00 2.03 0.35 -4.15 116.55 110.66 1wpi n ASP 87 Ca 0.21 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.52 1wpi n ASP 87 Cb 1.24 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.64 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 0.08 -0.67 -0.04 -1.26 -3.15 135.00 130.70 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 -1.36 -0.15 0.00 -0.04 0.00 0.00 33.50 31.95 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 0.00 1.05 0.00 0.52 1.03 -1.76 -3.38 112.91 110.38 1wpi h THR 89 Ca 0.00 -2.53 -0.06 0.00 -0.01 0.00 0.00 66.41 63.81 1wpi h THR 89 Cb 0.36 2.84 -0.01 0.00 -1.07 0.00 0.00 68.15 70.27 1wpi h THR 89 CO 0.00 0.82 -1.82 0.49 -0.01 0.00 0.00 175.52 175.00 1wpi n PHE 90 N -3.70 0.00 0.00 0.00 3.72 -1.19 -4.46 117.46 111.83 1wpi n PHE 90 Ca -0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 1wpi n PHE 90 Cb 1.04 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 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 1.67 -1.19 0.85 1.37 0.00 -1.19 -1.82 105.19 104.89 1wpi n GLY 91 Ca -0.08 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.34 0.00 -3.64 1.61 -0.00 -1.26 -2.39 117.12 111.10 1wpi n MET 92 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.70 57.30 1wpi n MET 92 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 33.22 33.11 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 -0.56 5.57 0.05 3.17 1.11 -1.26 -3.36 116.67 121.38 1wpi s ASP 93 Ca 0.00 -1.42 0.03 0.00 0.18 0.00 0.00 52.55 51.34 1wpi s ASP 93 Cb 0.00 -1.96 -0.25 0.00 1.07 0.00 0.00 42.92 41.78 1wpi s ASP 93 CO 0.00 -0.49 1.02 0.25 1.18 0.00 0.00 175.17 177.14 1wpi h LEU 94 N 8.36 0.19 -1.79 1.23 5.85 -0.98 -3.27 115.31 124.89 1wpi h LEU 94 Ca -0.23 -0.24 0.28 0.00 0.84 0.00 0.00 57.88 58.53 1wpi h LEU 94 Cb 1.08 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 1wpi h LEU 94 CO 0.72 1.20 0.85 -0.61 -0.34 0.00 0.00 178.44 180.25 1wpi h GLN 95 N 0.03 0.00 0.00 1.25 4.15 -1.85 2.15 115.11 120.85 1wpi h GLN 95 Ca -0.15 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.25 1wpi h GLN 95 Cb 1.92 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.61 1wpi h GLN 95 CO 0.14 0.00 -0.11 0.87 -1.93 0.00 0.00 178.83 177.81 1wpi h LYS 96 N 0.00 0.00 0.00 1.69 1.79 -1.89 2.36 116.57 120.53 1wpi h LYS 96 Ca 0.46 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 58.47 1wpi h LYS 96 Cb 2.16 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 32.74 1wpi h LYS 96 CO -0.00 0.11 -2.55 0.00 -1.08 0.00 0.00 179.45 175.92 1wpi h VAL 98 N -0.92 0.94 -1.26 0.00 2.07 -0.35 0.41 116.25 117.14 1wpi h VAL 98 Ca -0.70 -0.42 0.37 0.00 0.82 0.00 0.00 66.70 66.77 1wpi h VAL 98 Cb 1.64 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 32.59 1wpi h VAL 98 CO -0.40 0.11 1.24 0.00 0.02 0.00 0.00 177.57 178.54 1wpi n GLN 99 N -4.19 0.01 0.00 1.57 -0.00 0.80 -4.37 117.38 111.19 1wpi n GLN 99 Ca -0.03 1.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.98 1wpi n GLN 99 Cb 0.19 -2.44 0.00 0.00 -0.00 0.00 0.00 30.24 28.00 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 -3.36 0.00 0.00 2.61 0.63 -0.93 -4.98 116.66 110.63 1wpi n ARG 100 Ca 0.28 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.21 1wpi n ARG 100 Cb 1.62 0.00 0.00 0.00 0.45 0.00 0.00 32.46 34.53 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 -1.84 5.28 5.14 0.00 0.14 -4.60 105.19 109.31 1wpi n GLY 101 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 -3.72 0.99 -0.00 -1.24 -4.18 117.00 108.85 1wpi n LEU 102 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.87 1wpi n LEU 102 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 1wpi n LEU 102 CO 0.00 0.00 0.09 -1.66 -0.00 0.00 0.00 177.39 175.82 1wpi s TRP 103 N 0.00 -0.37 -0.47 1.96 -2.14 -1.26 -5.10 118.94 111.56 1wpi s TRP 103 Ca 0.00 0.79 -0.24 0.00 2.66 0.00 0.00 56.10 59.31 1wpi s TRP 103 Cb 0.00 0.16 0.03 0.00 -3.10 0.00 0.00 33.47 30.56 1wpi s TRP 103 CO 0.00 -0.32 0.84 -0.80 -2.66 0.00 0.00 176.95 174.02 1wpi s ASN 104 N -0.49 6.41 0.00 -2.66 -0.87 -1.26 -4.62 114.94 111.45 1wpi s ASN 104 Ca -0.06 -0.13 0.23 0.00 -1.57 0.00 0.00 52.86 51.33 1wpi s ASN 104 Cb -0.04 -2.41 1.16 0.00 -0.02 0.00 0.00 41.25 39.94 1wpi s ASN 104 CO 0.03 -1.01 1.74 -0.81 -2.57 0.00 0.00 177.10 174.48 1wpi n PRO 105 N 6.95 0.34 -3.19 -0.60 -0.04 -1.22 -4.83 135.00 132.42 1wpi n PRO 105 Ca 0.03 0.07 -0.07 0.00 -0.04 0.00 0.00 63.50 63.48 1wpi n PRO 105 Cb 0.48 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.27 -0.95 -3.89 0.54 -0.00 -0.87 -4.81 118.16 106.90 1wpi n LYS 106 Ca 0.11 -0.13 -0.10 0.00 -0.00 0.00 0.00 58.31 58.19 1wpi n LYS 106 Cb 0.18 -0.38 -0.09 0.00 -0.00 0.00 0.00 35.03 34.74 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 -4.45 0.65 -0.15 -1.58 2.02 -0.85 -4.84 118.70 109.51 1wpi s GLU 107 Ca 0.03 -0.74 -0.01 0.00 0.02 0.00 0.00 54.97 54.28 1wpi s GLU 107 Cb -0.02 0.26 -0.01 0.00 0.10 0.00 0.00 34.13 34.46 1wpi s GLU 107 CO 0.20 -0.18 -0.12 0.00 0.02 0.00 0.00 175.26 175.18 1wpi s ALA 108 N -2.75 2.64 -0.30 5.21 0.00 -1.26 -3.11 121.76 122.18 1wpi s ALA 108 Ca -0.04 -0.96 -0.12 0.00 0.00 0.00 0.00 51.96 50.84 1wpi s ALA 108 Cb -0.00 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1wpi s ALA 108 CO -0.05 0.09 0.23 -0.51 0.00 0.00 0.00 175.76 175.52 1wpi s LEU 109 N 0.61 4.20 -0.07 0.00 1.02 -1.14 -2.47 118.68 120.83 1wpi s LEU 109 Ca -0.07 -0.13 0.00 0.00 0.02 0.00 0.00 54.13 53.96 1wpi s LEU 109 Cb -0.15 -2.17 -0.03 0.00 0.02 0.00 0.00 46.19 43.86 1wpi s LEU 109 CO 0.03 -0.14 -0.06 0.86 0.02 0.00 0.00 176.35 177.06 1wpi s TRP 110 N 1.79 2.97 -0.17 0.29 -0.00 -1.13 0.65 118.94 123.34 1wpi s TRP 110 Ca 0.08 0.05 -0.13 0.00 -0.00 0.00 0.00 56.10 56.10 1wpi s TRP 110 Cb -0.16 -1.72 0.05 0.00 -0.00 0.00 0.00 33.47 31.64 1wpi s TRP 110 CO 0.11 0.36 0.44 0.14 -0.00 0.00 0.00 176.95 178.00 1wpi s VAL 111 N -0.82 -0.01 -0.07 5.86 -7.23 0.43 -1.39 120.40 117.16 1wpi s VAL 111 Ca 0.13 0.04 0.02 0.00 -1.81 0.00 0.00 61.98 60.36 1wpi s VAL 111 Cb -0.11 -0.64 -0.02 0.00 0.56 0.00 0.00 36.38 36.17 1wpi s VAL 111 CO 0.02 0.02 -0.12 -0.62 -0.31 0.00 0.00 175.10 174.08 1wpi s ASP 112 N 0.86 4.18 0.00 4.85 2.15 1.11 -0.11 116.67 129.71 1wpi s ASP 112 Ca -0.05 -0.18 0.13 0.00 0.43 0.00 0.00 52.55 52.88 1wpi s ASP 112 Cb -0.06 -1.07 0.18 0.00 -0.30 0.00 0.00 42.92 41.67 1wpi s ASP 112 CO -0.07 0.31 1.02 1.87 -0.17 0.00 0.00 175.17 178.14 1wpi n TRP 113 N 2.53 0.16 -0.09 -5.34 -0.00 -1.24 -2.31 117.44 111.15 1wpi n TRP 113 Ca -0.17 -0.15 -0.16 0.00 -0.00 0.00 0.00 57.50 57.02 1wpi n TRP 113 Cb 0.52 -0.01 -0.08 0.00 -0.00 0.00 0.00 31.31 31.75 1wpi n TRP 113 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 1wpi n GLU 114 N 0.71 0.53 -0.20 5.87 4.07 -1.26 -4.49 120.64 125.86 1wpi n GLU 114 Ca 0.09 0.54 0.07 0.00 -0.06 0.00 0.00 57.16 57.80 1wpi n GLU 114 Cb 0.36 -1.71 0.16 0.00 -0.06 0.00 0.00 31.44 30.19 1wpi n GLU 114 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1wpi n ASN 115 N -4.49 2.90 -3.63 4.31 5.03 -1.26 -4.91 115.26 113.22 1wpi n ASN 115 Ca -0.24 -2.76 -0.28 0.00 0.87 0.00 0.00 54.58 52.17 1wpi n ASN 115 Cb 0.54 -0.38 0.04 0.00 -1.02 0.00 0.00 39.78 38.97 1wpi n ASN 115 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1wpi n LYS 116 N -0.72 -1.82 -3.93 3.52 2.85 -1.18 -4.96 118.16 111.93 1wpi n LYS 116 Ca 0.15 0.53 -0.35 0.00 -1.05 0.00 0.00 58.31 57.60 1wpi n LYS 116 Cb 0.64 -4.51 -0.14 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 -6.34 3.75 0.03 -5.58 2.96 -0.98 -4.89 118.68 107.63 1wpi s LEU 117 Ca 0.41 -1.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.13 1wpi s LEU 117 Cb -0.13 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 1wpi s LEU 117 CO 0.84 -0.23 -0.07 0.68 -1.32 0.00 0.00 176.35 176.25 1wpi s VAL 118 N 1.26 0.51 -0.20 1.68 -7.23 -1.26 0.36 120.40 115.50 1wpi s VAL 118 Ca -0.05 -0.82 -0.27 0.00 -1.81 0.00 0.00 61.98 59.03 1wpi s VAL 118 Cb -0.19 -0.53 0.10 0.00 0.56 0.00 0.00 36.38 36.32 1wpi s VAL 118 CO -0.02 -0.23 0.88 -0.83 -0.31 0.00 0.00 175.10 174.60 1wpi s GLY 119 N -1.14 -0.35 -0.83 2.32 0.00 -0.49 -4.98 107.32 101.86 1wpi s GLY 119 Ca -0.06 2.11 -0.21 0.00 0.00 0.00 0.00 44.72 46.56 1wpi s GLY 119 CO 0.00 1.45 1.08 0.54 0.00 0.00 0.00 173.10 176.17 1wpi s ASN 120 N -0.34 6.44 0.00 1.64 4.22 -1.26 -2.83 114.94 122.81 1wpi s ASN 120 Ca -0.02 -1.59 0.00 0.00 -2.14 0.00 0.00 52.86 49.11 1wpi s ASN 120 Cb -0.03 -2.42 0.00 0.00 1.28 0.00 0.00 41.25 40.08 1wpi s ASN 120 CO 0.01 -1.24 0.00 -1.84 -2.04 0.00 0.00 177.10 171.98 1wpi n GLU 121 N 7.16 0.00 0.07 3.55 0.28 -1.03 -4.96 120.64 125.71 1wpi n GLU 121 Ca 0.14 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 57.04 1wpi n GLU 121 Cb 0.48 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.35 1wpi n GLU 121 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 1wpi h PRO 122 N 0.00 0.29 -0.19 3.44 0.13 -1.90 -3.07 132.00 130.71 1wpi h PRO 122 Ca 0.00 -0.28 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 1wpi h PRO 122 Cb 0.00 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.19 1wpi h PRO 122 CO 0.00 0.97 -0.03 0.00 -0.23 0.00 0.00 178.00 178.71 1wpi h ALA 123 N 0.94 1.61 -0.98 -0.56 0.00 -1.95 -1.47 119.26 116.85 1wpi h ALA 123 Ca -0.04 -0.14 0.25 0.00 0.00 0.00 0.00 54.91 54.97 1wpi h ALA 123 Cb 1.43 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.05 1wpi h ALA 123 CO 0.13 0.29 0.66 0.22 0.00 0.00 0.00 179.25 180.55 1wpi h ASP 124 N 0.27 0.34 0.57 0.00 1.82 -1.89 0.68 116.42 118.21 1wpi h ASP 124 Ca 0.06 0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 56.72 1wpi h ASP 124 Cb 0.24 -0.01 0.01 0.00 0.68 0.00 0.00 39.33 40.24 1wpi h ASP 124 CO 0.01 0.10 -0.28 0.40 -1.61 0.00 0.00 179.24 177.86 1wpi h ILE 125 N 0.32 0.33 0.16 2.25 2.04 -1.41 -1.52 117.51 119.69 1wpi h ILE 125 Ca 0.52 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 66.09 1wpi h ILE 125 Cb 1.46 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1wpi h ILE 125 CO -0.19 0.04 -0.17 -0.78 0.00 0.00 0.00 178.15 177.05 1wpi h ASP 126 N -0.98 -0.46 -0.86 1.72 1.82 -1.05 1.13 116.42 117.74 1wpi h ASP 126 Ca -0.08 0.05 0.17 0.00 -0.39 0.00 0.00 57.03 56.77 1wpi h ASP 126 Cb 0.65 0.16 -0.16 0.00 0.68 0.00 0.00 39.33 40.66 1wpi h ASP 126 CO 0.13 -0.26 -0.24 0.11 -1.61 0.00 0.00 179.24 177.37 1wpi h LYS 127 N -0.37 -0.01 0.00 0.28 6.56 0.26 -3.28 116.57 120.00 1wpi h LYS 127 Ca 0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1wpi h LYS 127 Cb 0.35 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.02 1wpi h LYS 127 CO -0.05 -0.01 0.00 0.98 -2.06 0.00 0.00 179.45 178.31 1wpi n TYR 128 N -5.54 0.00 -3.16 -1.35 9.36 -0.58 -4.75 117.16 111.15 1wpi n TYR 128 Ca 0.12 0.00 -0.46 0.00 3.32 0.00 0.00 57.90 60.88 1wpi n TYR 128 Cb 0.43 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.11 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 0.04 5.25 0.00 2.97 -5.25 0.35 -4.56 121.20 119.99 1wpi s ILE 129 Ca 0.00 -2.13 0.00 0.00 -0.99 0.00 0.00 60.65 57.53 1wpi s ILE 129 Cb 0.00 -4.61 0.00 0.00 2.95 0.00 0.00 42.46 40.80 1wpi s ILE 129 CO 0.00 -1.24 0.00 2.30 -1.79 0.00 0.00 174.94 174.21 1wpi n ILE 130 N 4.58 0.00 0.12 8.37 -6.64 0.11 -3.93 119.36 121.97 1wpi n ILE 130 Ca 0.19 0.00 -0.08 0.00 -1.77 0.00 0.00 62.75 61.08 1wpi n ILE 130 Cb 0.48 0.00 -0.05 0.00 -1.44 0.00 0.00 39.64 38.63 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 -0.42 0.00 6.28 7.50 -1.87 -3.16 115.11 123.43 1wpi h GLN 131 Ca 0.00 0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.18 1wpi h GLN 131 Cb 0.00 0.10 0.00 0.00 0.05 0.00 0.00 27.48 27.63 1wpi h GLN 131 CO 0.00 -0.28 0.00 0.54 -1.50 0.00 0.00 178.83 177.59 1wpi n ARG 132 N -3.77 0.00 0.00 1.46 5.12 -1.26 -4.85 116.66 113.36 1wpi n ARG 132 Ca -0.05 0.70 0.16 0.00 -1.93 0.00 0.00 57.85 56.73 1wpi n ARG 132 Cb 0.21 -1.06 0.87 0.00 -1.16 0.00 0.00 32.46 31.32 1wpi n ARG 132 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87