#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 -7.35 -3.73 3.17 7.64 -1.26 -5.07 113.62 107.02 1wpi n SER 2 Ca 0.00 1.06 -0.08 0.00 1.01 0.00 0.00 58.87 60.86 1wpi n SER 2 Cb 0.00 -4.88 -0.02 0.00 -1.01 0.00 0.00 64.21 58.29 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 -1.72 0.09 -0.12 1.43 0.08 -1.26 -4.99 117.98 111.49 1wpi s PHE 3 Ca 0.06 -0.54 -0.19 0.00 0.12 0.00 0.00 56.93 56.37 1wpi s PHE 3 Cb -0.02 0.53 -0.26 0.00 -0.57 0.00 0.00 43.02 42.70 1wpi s PHE 3 CO 0.70 -1.21 0.59 -1.49 -0.10 0.00 0.00 175.22 173.70 1wpi h TRP 4 N 2.08 0.33 0.00 0.36 4.06 -1.97 -3.32 115.95 117.48 1wpi h TRP 4 Ca -0.24 -0.24 0.00 0.00 2.06 0.00 0.00 58.89 60.48 1wpi h TRP 4 Cb 1.25 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 29.40 1wpi h TRP 4 CO 0.62 1.43 -0.37 0.87 -3.56 0.00 0.00 178.44 177.42 1wpi h LYS 5 N -0.52 0.00 -4.82 0.49 1.79 -1.93 -3.49 116.57 108.09 1wpi h LYS 5 Ca -0.24 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.20 1wpi h LYS 5 Cb 1.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.21 1wpi h LYS 5 CO 0.02 0.00 -0.72 0.25 -1.08 0.00 0.00 179.45 177.92 1wpi n THR 6 N -2.37 -1.53 -3.58 -0.16 -2.24 -1.25 -4.98 114.28 98.16 1wpi n THR 6 Ca 0.04 0.32 -0.13 0.00 -2.27 0.00 0.00 64.05 62.01 1wpi n THR 6 Cb 0.46 -2.15 -0.06 0.00 -2.10 0.00 0.00 70.33 66.49 1wpi n THR 6 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1wpi s LEU 7 N -0.80 -0.52 0.07 3.22 0.20 -1.26 -5.06 118.68 114.52 1wpi s LEU 7 Ca 0.03 0.74 -0.11 0.00 0.69 0.00 0.00 54.13 55.48 1wpi s LEU 7 Cb -0.00 2.13 -0.06 0.00 -0.43 0.00 0.00 46.19 47.83 1wpi s LEU 7 CO 0.06 -0.35 0.40 -1.58 -0.29 0.00 0.00 176.35 174.59 1wpi s GLN 8 N -0.61 3.78 -0.29 1.98 0.74 -1.26 -4.67 119.66 119.33 1wpi s GLN 8 Ca -0.03 0.21 -0.02 0.00 0.05 0.00 0.00 55.36 55.57 1wpi s GLN 8 Cb -0.02 -3.03 0.00 0.00 1.10 0.00 0.00 33.01 31.06 1wpi s GLN 8 CO 0.02 0.58 0.07 0.54 -0.55 0.00 0.00 175.29 175.95 1wpi n ARG 9 N 1.04 -3.02 -3.21 1.67 1.74 -1.26 -4.96 116.66 108.66 1wpi n ARG 9 Ca -0.09 2.49 -0.39 0.00 -0.77 0.00 0.00 57.85 59.10 1wpi n ARG 9 Cb 0.52 -4.90 -0.06 0.00 -1.02 0.00 0.00 32.46 27.01 1wpi n ARG 9 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1wpi s GLN 10 N -1.68 4.29 0.00 5.56 -0.21 -1.26 -4.90 119.66 121.46 1wpi s GLN 10 Ca 0.03 0.77 0.00 0.00 0.02 0.00 0.00 55.36 56.19 1wpi s GLN 10 Cb -0.01 -3.30 0.00 0.00 1.00 0.00 0.00 33.01 30.71 1wpi s GLN 10 CO 0.70 0.48 0.00 -0.35 -2.12 0.00 0.00 175.29 174.01 1wpi n PRO 11 N 2.26 0.72 0.07 2.91 -0.04 -1.26 -4.87 135.00 134.79 1wpi n PRO 11 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 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 -0.23 0.00 -3.14 0.54 0.63 -1.26 -4.98 116.66 108.22 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 -0.07 0.00 0.45 0.00 0.00 32.46 32.84 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 4.92 -0.42 5.15 2.01 -1.26 -3.91 115.64 120.13 1wpi s THR 13 Ca 0.00 0.56 -0.14 0.00 0.31 0.00 0.00 61.69 62.42 1wpi s THR 13 Cb 0.00 -4.05 0.04 0.00 0.01 0.00 0.00 72.50 68.50 1wpi s THR 13 CO 0.00 -0.28 0.30 -0.63 -0.69 0.00 0.00 174.62 173.32 1wpi s ILE 14 N 2.63 5.00 -0.47 1.82 -1.09 -1.21 -3.80 121.20 124.08 1wpi s ILE 14 Ca 0.23 -0.87 -0.18 0.00 -2.23 0.00 0.00 60.65 57.60 1wpi s ILE 14 Cb -0.15 -3.86 0.05 0.00 -1.58 0.00 0.00 42.46 36.92 1wpi s ILE 14 CO 0.14 -0.37 0.55 -0.44 -1.23 0.00 0.00 174.94 173.59 1wpi s SER 15 N 1.90 6.22 -0.14 3.58 0.01 -0.51 -1.11 113.70 123.65 1wpi s SER 15 Ca 0.04 -0.84 -0.03 0.00 1.31 0.00 0.00 55.95 56.42 1wpi s SER 15 Cb -0.21 -2.26 -0.03 0.00 0.21 0.00 0.00 66.02 63.73 1wpi s SER 15 CO 0.08 -0.78 -0.04 -0.22 0.41 0.00 0.00 173.24 172.69 1wpi s LEU 16 N 2.41 3.25 0.18 2.44 1.98 -0.18 -0.82 118.68 127.94 1wpi s LEU 16 Ca 0.14 -0.11 0.04 0.00 -2.89 0.00 0.00 54.13 51.31 1wpi s LEU 16 Cb -0.19 -1.77 -0.04 0.00 0.66 0.00 0.00 46.19 44.86 1wpi s LEU 16 CO 0.12 0.20 0.25 -0.36 -1.89 0.00 0.00 176.35 174.67 1wpi s PHE 17 N 0.20 3.34 -0.04 5.38 0.40 0.77 -0.84 117.98 127.20 1wpi s PHE 17 Ca -0.02 0.03 -0.02 0.00 -0.60 0.00 0.00 56.93 56.32 1wpi s PHE 17 Cb -0.14 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 41.78 1wpi s PHE 17 CO 0.03 0.50 0.08 0.99 0.70 0.00 0.00 175.22 177.53 1wpi s THR 18 N -1.82 4.82 -0.41 0.64 2.01 0.71 -3.33 115.64 118.25 1wpi s THR 18 Ca 0.33 -0.27 0.10 0.00 0.31 0.00 0.00 61.69 62.15 1wpi s THR 18 Cb -0.10 -3.16 0.36 0.00 0.01 0.00 0.00 72.50 69.60 1wpi s THR 18 CO 0.27 0.43 1.04 0.59 -0.69 0.00 0.00 174.62 176.26 1wpi n ASN 19 N 1.45 -0.99 -1.39 3.53 4.13 -1.25 -4.00 115.26 116.74 1wpi n ASN 19 Ca -0.15 -3.18 0.14 0.00 1.68 0.00 0.00 54.58 53.07 1wpi n ASN 19 Cb 0.53 0.81 -0.08 0.00 -1.54 0.00 0.00 39.78 39.50 1wpi n ASN 19 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1wpi n ASP 20 N 0.11 -7.17 0.00 6.41 -0.08 -1.26 -3.43 116.55 111.13 1wpi n ASP 20 Ca 0.10 1.38 0.00 0.00 -1.51 0.00 0.00 54.79 54.76 1wpi n ASP 20 Cb 0.73 -4.71 0.00 0.00 2.34 0.00 0.00 41.12 39.48 1wpi n ASP 20 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1wpi n ILE 21 N -4.01 0.00 -1.63 5.18 -5.35 -0.47 -3.34 119.36 109.73 1wpi n ILE 21 Ca -0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1wpi n ILE 21 Cb 0.60 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.50 1wpi n ILE 21 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wpi n ALA 22 N -3.00 0.00 -0.48 -1.28 0.00 -1.26 -4.75 120.51 109.74 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 -4.49 0.00 7.64 -1.26 -2.80 113.62 112.72 1wpi n SER 23 Ca 0.00 0.14 -0.43 0.00 1.01 0.00 0.00 58.87 59.59 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 -1.43 6.33 0.48 6.43 0.01 -1.26 -4.85 114.94 120.66 1wpi s ASN 24 Ca 0.00 -1.23 0.28 0.00 -0.71 0.00 0.00 52.86 51.21 1wpi s ASN 24 Cb 0.00 -2.46 1.36 0.00 0.41 0.00 0.00 41.25 40.56 1wpi s ASN 24 CO 0.00 -1.43 1.80 0.40 -1.51 0.00 0.00 177.10 176.36 1wpi h ILE 25 N 6.08 0.48 0.00 0.60 5.03 -1.90 2.52 117.51 130.31 1wpi h ILE 25 Ca -0.10 -0.06 -0.06 0.00 -0.12 0.00 0.00 64.86 64.52 1wpi h ILE 25 Cb 1.05 0.30 -0.01 0.00 -3.03 0.00 0.00 36.82 35.13 1wpi h ILE 25 CO 1.22 0.03 -0.44 0.11 -0.68 0.00 0.00 178.15 178.39 1wpi h LYS 26 N 0.16 0.00 0.52 2.37 6.56 -1.89 -3.19 116.57 121.10 1wpi h LYS 26 Ca 0.56 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 60.12 1wpi h LYS 26 Cb 1.87 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 33.54 1wpi h LYS 26 CO -0.13 0.58 -0.25 1.03 -2.06 0.00 0.00 179.45 178.63 1wpi h SER 27 N -1.00 -0.59 -1.28 0.86 0.87 -1.56 -2.42 113.55 108.43 1wpi h SER 27 Ca -0.10 0.02 0.37 0.00 -1.23 0.00 0.00 61.79 60.86 1wpi h SER 27 Cb 0.77 0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.83 1wpi h SER 27 CO -0.06 -0.40 1.04 -0.61 -0.53 0.00 0.00 176.83 176.27 1wpi h GLN 28 N -0.73 0.00 0.00 2.24 5.75 0.41 0.88 115.11 123.66 1wpi h GLN 28 Ca -0.07 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 1wpi h GLN 28 Cb 0.53 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.08 1wpi h GLN 28 CO 0.12 0.00 0.00 1.17 -2.65 0.00 0.00 178.83 177.47 1wpi n LYS 29 N -3.86 0.00 -0.08 1.69 3.00 -0.92 -3.60 118.16 114.39 1wpi n LYS 29 Ca 0.28 0.01 -0.11 0.00 -0.00 0.00 0.00 58.31 58.50 1wpi n LYS 29 Cb 1.44 -0.92 -0.05 0.00 0.00 0.00 0.00 35.03 35.50 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 -4.54 -0.20 0.04 0.00 7.99 0.27 0.44 117.00 121.00 1wpi n LEU 31 Ca -0.16 1.10 -0.11 0.00 -0.01 0.00 0.00 56.01 56.83 1wpi n LEU 31 Cb 0.42 -0.35 0.01 0.00 -0.11 0.00 0.00 43.42 43.39 1wpi n LEU 31 CO 0.13 -1.07 0.33 1.56 -1.51 0.00 0.00 177.39 176.83 1wpi h GLN 32 N 0.00 0.45 0.02 3.23 1.08 -0.62 -1.32 115.11 117.95 1wpi h GLN 32 Ca 0.33 -0.38 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1wpi h GLN 32 Cb 0.54 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 1wpi h GLN 32 CO -0.65 1.01 -0.01 1.25 -0.95 0.00 0.00 178.83 179.49 1wpi h LEU 33 N 0.31 -0.02 -0.59 1.46 6.46 0.94 -1.10 115.31 122.77 1wpi h LEU 33 Ca -0.04 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1wpi h LEU 33 Cb 1.34 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.27 1wpi h LEU 33 CO 0.13 0.04 0.00 0.18 -0.62 0.00 0.00 178.44 178.18 1wpi n LEU 34 N -5.07 0.72 0.00 2.25 7.99 0.34 -2.63 117.00 120.61 1wpi n LEU 34 Ca -0.07 0.65 0.01 0.00 -0.01 0.00 0.00 56.01 56.59 1wpi n LEU 34 Cb 0.06 -0.53 0.04 0.00 -0.11 0.00 0.00 43.42 42.89 1wpi n LEU 34 CO 0.33 -0.50 0.17 1.17 -1.51 0.00 0.00 177.39 177.05 1wpi n LYS 35 N -2.27 0.15 0.00 3.23 0.00 -0.41 -4.05 118.16 114.80 1wpi n LYS 35 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.34 1wpi n LYS 35 Cb 0.27 -1.16 0.00 0.00 0.00 0.00 0.00 35.03 34.15 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 -0.46 1.53 0.00 3.14 0.00 -1.08 -5.02 105.19 103.30 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 0.00 0.00 -4.96 1.61 2.03 -1.26 -5.00 116.55 108.98 1wpi n ASP 37 Ca 0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 1wpi n ASP 37 Cb 0.00 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.44 1wpi n ASP 37 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1wpi s VAL 38 N 0.00 2.62 -0.12 5.18 1.01 -1.26 -4.92 120.40 122.91 1wpi s VAL 38 Ca 0.00 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1wpi s VAL 38 Cb 0.00 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.42 1wpi s VAL 38 CO 0.00 0.00 -0.18 -0.44 0.00 0.00 0.00 175.10 174.48 1wpi s SER 39 N -4.45 2.71 0.00 3.32 0.01 -1.25 -1.44 113.70 112.59 1wpi s SER 39 Ca 0.58 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.34 1wpi s SER 39 Cb -0.10 -1.23 0.00 0.00 0.21 0.00 0.00 66.02 64.90 1wpi s SER 39 CO 0.39 0.04 0.00 1.41 0.41 0.00 0.00 173.24 175.49 1wpi n HIS 40 N 4.15 0.00 0.00 2.43 8.25 -1.12 -4.89 115.22 124.04 1wpi n HIS 40 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1wpi n HIS 40 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 1wpi n HIS 40 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1wpi n ARG 41 N -0.10 0.00 -4.31 -0.41 3.00 -1.26 -4.02 116.66 109.56 1wpi n ARG 41 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.69 1wpi n ARG 41 Cb 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 32.46 32.32 1wpi n ARG 41 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.63 177.04 1wpi s PHE 42 N 0.00 1.51 -0.26 -0.14 -0.71 -1.26 -5.05 117.98 112.06 1wpi s PHE 42 Ca 0.00 -1.12 -0.10 0.00 -1.04 0.00 0.00 56.93 54.67 1wpi s PHE 42 Cb 0.00 -0.89 -0.05 0.00 -1.21 0.00 0.00 43.02 40.88 1wpi s PHE 42 CO 0.00 -0.27 0.17 -0.51 -1.34 0.00 0.00 175.22 173.27 1wpi s ASP 43 N -3.30 5.96 -0.01 1.98 1.01 -1.25 -4.95 116.67 116.11 1wpi s ASP 43 Ca 0.34 0.01 -0.15 0.00 0.71 0.00 0.00 52.55 53.46 1wpi s ASP 43 Cb 0.07 -2.09 -0.06 0.00 1.01 0.00 0.00 42.92 41.85 1wpi s ASP 43 CO 0.12 -0.01 0.41 -0.69 0.21 0.00 0.00 175.17 175.21 1wpi s VAL 44 N 1.52 5.03 -0.20 -1.27 1.01 -1.26 -3.29 120.40 121.94 1wpi s VAL 44 Ca 0.07 0.85 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1wpi s VAL 44 Cb -0.15 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.53 1wpi s VAL 44 CO 0.08 0.56 -0.16 -0.70 0.00 0.00 0.00 175.10 174.89 1wpi s GLU 45 N -0.95 2.94 -0.33 2.72 2.56 -0.26 -4.96 118.70 120.42 1wpi s GLU 45 Ca 0.24 -0.88 -0.05 0.00 0.00 0.00 0.00 54.97 54.28 1wpi s GLU 45 Cb -0.17 -2.70 0.05 0.00 2.00 0.00 0.00 34.13 33.31 1wpi s GLU 45 CO 0.13 -0.27 0.07 0.42 -0.56 0.00 0.00 175.26 175.06 1wpi s ILE 46 N 1.30 3.49 0.00 -3.70 1.09 -1.26 -1.01 121.20 121.11 1wpi s ILE 46 Ca 0.03 -1.26 0.01 0.00 -1.10 0.00 0.00 60.65 58.34 1wpi s ILE 46 Cb -0.14 -3.00 -0.01 0.00 -1.06 0.00 0.00 42.46 38.25 1wpi s ILE 46 CO -0.10 -0.18 -0.04 0.00 -0.10 0.00 0.00 174.94 174.53 1wpi s ALA 47 N 1.34 0.30 -0.26 9.38 0.00 -0.02 -5.01 121.76 127.50 1wpi s ALA 47 Ca -0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 51.96 51.64 1wpi s ALA 47 Cb -0.20 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.89 1wpi s ALA 47 CO 0.01 0.04 0.01 0.54 0.00 0.00 0.00 175.76 176.36 1wpi s ASN 48 N -0.35 4.69 0.07 0.00 2.20 -1.26 -0.21 114.94 120.08 1wpi s ASN 48 Ca -0.01 -0.63 -0.27 0.00 -0.94 0.00 0.00 52.86 51.01 1wpi s ASN 48 Cb -0.03 -1.79 0.09 0.00 -2.00 0.00 0.00 41.25 37.52 1wpi s ASN 48 CO -0.00 -0.12 0.99 0.00 -2.94 0.00 0.00 177.10 175.04 1wpi s ARG 49 N 1.46 0.94 0.05 3.55 1.70 -1.26 -4.83 118.95 120.57 1wpi s ARG 49 Ca 0.03 -0.47 -0.31 0.00 -0.47 0.00 0.00 55.73 54.51 1wpi s ARG 49 Cb -0.16 0.35 -0.05 0.00 -0.57 0.00 0.00 34.95 34.52 1wpi s ARG 49 CO -0.01 -0.43 1.19 0.12 -1.08 0.00 0.00 175.30 175.10 1wpi s PHE 50 N -3.08 3.44 -1.20 5.89 5.36 -1.25 -4.45 117.98 122.68 1wpi s PHE 50 Ca 0.10 1.31 -0.09 0.00 -0.96 0.00 0.00 56.93 57.29 1wpi s PHE 50 Cb -0.00 -3.41 -0.07 0.00 -0.34 0.00 0.00 43.02 39.20 1wpi s PHE 50 CO -0.02 -1.23 2.41 -0.35 -1.46 0.00 0.00 175.22 174.57 1wpi n PRO 51 N 3.97 2.67 -1.73 10.12 -0.04 -1.26 -4.92 135.00 143.80 1wpi n PRO 51 Ca 0.09 -1.85 -0.39 0.00 -0.04 0.00 0.00 63.50 61.31 1wpi n PRO 51 Cb 0.47 -2.69 0.03 0.00 -0.04 0.00 0.00 33.50 31.27 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 4.23 3.37 0.28 0.52 -2.24 -1.26 -4.78 114.28 114.39 1wpi n THR 52 Ca 0.58 -0.50 0.15 0.00 -2.27 0.00 0.00 64.05 62.01 1wpi n THR 52 Cb 0.21 -1.65 0.79 0.00 -2.10 0.00 0.00 70.33 67.58 1wpi n THR 52 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1wpi h TRP 53 N 1.68 0.00 -0.13 4.78 2.91 -1.93 0.59 115.95 123.85 1wpi h TRP 53 Ca -0.50 0.00 0.04 0.00 1.13 0.00 0.00 58.89 59.56 1wpi h TRP 53 Cb 1.30 0.00 -0.07 0.00 -0.51 0.00 0.00 29.16 29.88 1wpi h TRP 53 CO 0.46 0.08 -0.48 -0.44 -1.03 0.00 0.00 178.44 177.04 1wpi h ASP 54 N 0.00 -1.51 0.65 2.65 5.19 -1.98 3.12 116.42 124.54 1wpi h ASP 54 Ca -0.00 0.19 -0.27 0.00 -0.62 0.00 0.00 57.03 56.33 1wpi h ASP 54 Cb 0.31 0.60 -0.02 0.00 0.18 0.00 0.00 39.33 40.40 1wpi h ASP 54 CO 0.01 -0.46 -1.37 1.56 -3.12 0.00 0.00 179.24 175.87 1wpi h GLN 55 N -0.54 0.13 0.00 3.56 7.50 -1.88 -3.22 115.11 120.66 1wpi h GLN 55 Ca 0.06 -0.23 -0.01 0.00 0.50 0.00 0.00 58.65 58.97 1wpi h GLN 55 Cb 0.66 0.08 -0.00 0.00 0.05 0.00 0.00 27.48 28.27 1wpi h GLN 55 CO -0.42 0.98 -0.05 1.25 -1.50 0.00 0.00 178.83 179.09 1wpi h LEU 56 N 0.04 0.00 -1.51 1.46 6.46 -0.50 -3.03 115.31 118.22 1wpi h LEU 56 Ca -0.17 0.00 0.48 0.00 -0.12 0.00 0.00 57.88 58.07 1wpi h LEU 56 Cb 1.93 0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 41.76 1wpi h LEU 56 CO 0.14 0.05 1.04 0.00 -0.62 0.00 0.00 178.44 179.06 1wpi n GLN 57 N -3.23 -0.02 -0.01 1.25 -0.00 1.04 0.25 117.38 116.65 1wpi n GLN 57 Ca -0.01 1.07 -0.16 0.00 -0.00 0.00 0.00 57.00 57.90 1wpi n GLN 57 Cb 0.27 -2.26 -0.11 0.00 -0.00 0.00 0.00 30.24 28.14 1wpi n GLN 57 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.06 178.94 1wpi h TYR 58 N 0.00 0.49 -0.02 2.61 0.05 -1.78 -3.28 116.97 115.04 1wpi h TYR 58 Ca 0.83 -0.25 -0.16 0.00 0.05 0.00 0.00 58.73 59.20 1wpi h TYR 58 Cb 2.99 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 40.66 1wpi h TYR 58 CO -0.00 1.04 -0.72 0.52 -1.05 0.00 0.00 178.16 177.95 1wpi h MET 59 N -0.20 0.14 -0.76 4.88 2.86 0.30 -3.03 114.93 119.12 1wpi h MET 59 Ca -0.05 -0.12 0.21 0.00 -2.06 0.00 0.00 59.70 57.69 1wpi h MET 59 Cb 1.15 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.80 1wpi h MET 59 CO 0.09 0.80 0.54 0.07 1.06 0.00 0.00 176.91 179.47 1wpi h ARG 60 N 0.09 0.05 0.07 1.72 -0.00 0.18 -0.82 114.38 115.67 1wpi h ARG 60 Ca -0.02 -0.00 -0.17 0.00 -0.00 0.00 0.00 59.98 59.79 1wpi h ARG 60 Cb 1.27 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.97 31.23 1wpi h ARG 60 CO 0.10 0.03 -0.86 1.79 -0.00 0.00 0.00 179.97 181.03 1wpi h THR 61 N 0.05 1.34 -0.42 0.08 1.35 -1.60 -3.35 112.91 110.35 1wpi h THR 61 Ca 0.36 -2.39 -0.31 0.00 -0.55 0.00 0.00 66.41 63.53 1wpi h THR 61 Cb 1.38 2.94 -0.11 0.00 -1.73 0.00 0.00 68.15 70.63 1wpi h THR 61 CO -0.02 0.62 -0.06 -1.20 -0.25 0.00 0.00 175.52 174.61 1wpi n SER 62 N -4.24 5.74 -3.63 5.36 7.64 -0.35 -4.75 113.62 119.39 1wpi n SER 62 Ca -0.19 -2.77 -0.06 0.00 1.01 0.00 0.00 58.87 56.86 1wpi n SER 62 Cb 0.73 -1.33 -0.06 0.00 -1.01 0.00 0.00 64.21 62.54 1wpi n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wpi h PRO 64 N 3.02 0.48 0.00 0.00 0.13 -1.85 -3.23 132.00 130.55 1wpi h PRO 64 Ca -0.21 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1wpi h PRO 64 Cb 1.18 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1wpi h PRO 64 CO 0.20 1.11 -1.21 1.04 -0.23 0.00 0.00 178.00 178.91 1wpi n GLN 65 N -3.80 0.44 0.00 0.86 6.02 -1.26 -4.96 117.38 114.67 1wpi n GLN 65 Ca -0.07 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 1wpi n GLN 65 Cb 0.80 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 30.42 1wpi n GLN 65 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wpi n GLY 66 N 1.30 1.33 0.19 1.08 0.00 -1.22 0.21 105.19 108.09 1wpi n GLY 66 Ca 0.00 0.66 -0.17 0.00 0.00 0.00 0.00 46.02 46.51 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 0.63 -1.06 1.61 0.13 -1.90 -3.16 132.00 128.26 1wpi h PRO 67 Ca 0.00 -0.62 0.28 0.00 -0.87 0.00 0.00 66.00 64.79 1wpi h PRO 67 Cb 0.00 0.16 -0.10 0.00 0.13 0.00 0.00 31.00 31.19 1wpi h PRO 67 CO 0.00 1.22 0.67 0.28 -0.23 0.00 0.00 178.00 179.94 1wpi h VAL 68 N 0.39 0.48 -0.51 1.56 2.07 0.22 1.28 116.25 121.74 1wpi h VAL 68 Ca -0.09 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 1wpi h VAL 68 Cb 1.55 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1wpi h VAL 68 CO 0.18 0.07 0.11 0.28 0.02 0.00 0.00 177.57 178.23 1wpi h SER 69 N 0.40 0.72 0.28 0.57 0.02 -1.38 0.72 113.55 114.87 1wpi h SER 69 Ca 0.63 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.44 1wpi h SER 69 Cb 1.56 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.91 1wpi h SER 69 CO -0.35 0.72 -0.13 -0.07 -1.14 0.00 0.00 176.83 175.86 1wpi h LEU 70 N 0.75 -0.32 -1.69 5.07 -0.00 0.14 -0.47 115.31 118.78 1wpi h LEU 70 Ca 0.16 0.01 0.14 0.00 -0.00 0.00 0.00 57.88 58.20 1wpi h LEU 70 Cb 0.30 0.08 -0.04 0.00 -0.00 0.00 0.00 40.66 41.00 1wpi h LEU 70 CO 0.00 0.10 0.46 0.06 -0.00 0.00 0.00 178.44 179.06 1wpi h GLN 71 N -1.03 0.30 0.00 1.13 -0.00 -0.56 0.60 115.11 115.55 1wpi h GLN 71 Ca -0.04 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.58 1wpi h GLN 71 Cb 0.29 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.48 27.70 1wpi h GLN 71 CO 0.06 0.20 -0.07 0.00 -0.00 0.00 0.00 178.83 179.02 1wpi h ARG 72 N 0.31 0.00 -0.42 0.06 2.47 0.42 -3.21 114.38 114.01 1wpi h ARG 72 Ca 0.32 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.93 1wpi h ARG 72 Cb 0.83 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.14 1wpi h ARG 72 CO -0.08 0.07 -0.18 0.37 0.56 0.00 0.00 179.97 180.71 1wpi h GLN 73 N 0.00 0.86 -7.06 0.04 5.75 0.19 -3.44 115.11 111.45 1wpi h GLN 73 Ca -0.00 -0.37 -0.50 0.00 -0.15 0.00 0.00 58.65 57.63 1wpi h GLN 73 Cb 0.99 -0.03 0.04 0.00 1.07 0.00 0.00 27.48 29.55 1wpi h GLN 73 CO 0.01 1.01 0.20 -1.50 -2.65 0.00 0.00 178.83 175.90 1wpi s ILE 74 N -4.66 4.85 0.47 2.39 2.07 -0.98 -4.82 121.20 120.51 1wpi s ILE 74 Ca -0.12 0.40 -0.21 0.00 -1.41 0.00 0.00 60.65 59.31 1wpi s ILE 74 Cb 0.11 -3.87 -0.09 0.00 0.13 0.00 0.00 42.46 38.75 1wpi s ILE 74 CO 0.84 -0.94 1.04 -2.16 -1.91 0.00 0.00 174.94 171.82 1wpi s PRO 75 N -4.86 3.86 -0.68 3.50 0.04 -1.26 -3.72 135.00 131.87 1wpi s PRO 75 Ca 0.50 1.39 -0.04 0.00 0.04 0.00 0.00 61.00 62.89 1wpi s PRO 75 Cb -0.10 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1wpi s PRO 75 CO 0.47 -0.38 0.59 1.17 0.04 0.00 0.00 177.00 178.90 1wpi n LYS 76 N -0.82 -3.99 -0.13 4.56 4.81 -1.26 -4.80 118.16 116.54 1wpi n LYS 76 Ca 0.09 0.43 -0.12 0.00 -0.87 0.00 0.00 58.31 57.83 1wpi n LYS 76 Cb 0.52 -4.25 -0.09 0.00 0.02 0.00 0.00 35.03 31.23 1wpi n LYS 76 CO 0.00 0.00 0.00 1.37 1.17 0.00 0.00 177.40 179.94 1wpi h LEU 77 N -1.31 -1.69 -1.66 3.14 -0.00 -1.72 1.18 115.31 113.26 1wpi h LEU 77 Ca -0.30 0.22 0.47 0.00 -0.00 0.00 0.00 57.88 58.28 1wpi h LEU 77 Cb 1.19 0.69 -0.07 0.00 -0.00 0.00 0.00 40.66 42.47 1wpi h LEU 77 CO 0.28 -0.36 1.35 -0.78 -0.00 0.00 0.00 178.44 178.93 1wpi h ASP 78 N -0.35 0.00 0.14 0.17 3.58 -1.92 11.39 116.42 129.43 1wpi h ASP 78 Ca 0.07 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 1wpi h ASP 78 Cb 0.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1wpi h ASP 78 CO -0.54 0.00 -0.07 -1.28 -2.88 0.00 0.00 179.24 174.47 1wpi h SER 79 N 0.00 -0.16 0.71 2.28 0.87 0.10 -3.24 113.55 114.10 1wpi h SER 79 Ca 0.78 0.01 -0.23 0.00 -1.23 0.00 0.00 61.79 61.11 1wpi h SER 79 Cb 3.47 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 65.46 1wpi h SER 79 CO -0.01 0.27 -1.03 1.62 -0.53 0.00 0.00 176.83 177.15 1wpi h VAL 80 N -0.96 1.55 0.00 2.23 3.04 0.12 1.68 116.25 123.92 1wpi h VAL 80 Ca -0.02 -2.98 0.00 0.00 -1.01 0.00 0.00 66.70 62.69 1wpi h VAL 80 Cb 0.15 2.73 0.00 0.00 -2.01 0.00 0.00 31.29 32.16 1wpi h VAL 80 CO 0.03 0.86 0.05 -0.11 -1.01 0.00 0.00 177.57 177.39 1wpi n LEU 81 N -3.54 0.09 0.00 3.16 -0.00 3.53 -4.19 117.00 116.05 1wpi n LEU 81 Ca -0.04 0.50 0.00 0.00 -0.00 0.00 0.00 56.01 56.47 1wpi n LEU 81 Cb 0.92 -0.51 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 1wpi n LEU 81 CO 0.50 -0.53 0.00 1.17 -0.00 0.00 0.00 177.39 178.53 1wpi n LYS 82 N -1.58 0.00 0.00 1.96 3.00 -1.13 -4.94 118.16 115.46 1wpi n LYS 82 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1wpi n LYS 82 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.08 1wpi n LYS 82 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 1wpi n TYR 83 N 0.00 0.00 0.00 5.64 0.18 -1.05 -4.92 117.16 117.01 1wpi n TYR 83 Ca 0.00 -0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1wpi n TYR 83 Cb 0.00 -0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 1wpi n TYR 83 CO 0.00 0.00 0.00 1.17 -2.08 0.00 0.00 176.86 175.95 1wpi n LYS 84 N -0.00 3.07 -0.20 -3.48 0.00 0.57 -2.95 118.16 115.17 1wpi n LYS 84 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 58.31 58.47 1wpi n LYS 84 Cb 0.28 0.00 0.27 0.00 0.00 0.00 0.00 35.03 35.58 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 0.20 -0.19 5.64 8.25 -1.25 0.39 115.22 128.26 1wpi n HIS 85 Ca 0.00 0.20 0.30 0.00 -0.26 0.00 0.00 57.72 57.96 1wpi n HIS 85 Cb 0.00 -0.51 0.68 0.00 1.12 0.00 0.00 29.99 31.29 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 0.27 0.00 1.59 1.03 -1.74 -2.94 112.91 111.13 1wpi h THR 86 Ca 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.74 1wpi h THR 86 Cb 1.16 0.36 0.00 0.00 -1.07 0.00 0.00 68.15 68.61 1wpi h THR 86 CO -0.13 0.00 0.00 -0.67 -0.01 0.00 0.00 175.52 174.71 1wpi n ASP 87 N -3.80 0.00 -0.48 0.00 2.03 1.27 -3.42 116.55 112.15 1wpi n ASP 87 Ca 0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.51 1wpi n ASP 87 Cb 1.16 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.56 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 -0.03 -0.67 -0.04 -1.26 -2.26 135.00 131.48 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 -1.36 -0.13 0.00 -0.04 0.00 0.00 33.50 31.97 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 0.09 1.70 -0.03 0.52 5.66 -1.24 -4.53 114.28 116.45 1wpi n THR 89 Ca 0.00 -0.48 0.01 0.00 -3.05 0.00 0.00 64.05 60.54 1wpi n THR 89 Cb 0.18 -1.81 -0.10 0.00 -1.55 0.00 0.00 70.33 67.05 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 -3.75 0.00 0.00 1.09 3.72 -1.11 -4.59 117.46 112.82 1wpi n PHE 90 Ca -0.33 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.07 1wpi n PHE 90 Cb 0.94 -0.45 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 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 1.93 0.00 0.00 1.37 0.00 -0.96 -1.99 105.19 105.53 1wpi n GLY 91 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1wpi n GLY 91 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wpi n MET 92 N 0.00 0.00 -3.50 1.61 -0.00 -1.26 -3.82 117.12 110.15 1wpi n MET 92 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.70 57.28 1wpi n MET 92 Cb 0.00 -0.04 -0.09 0.00 -0.00 0.00 0.00 33.22 33.09 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 -1.13 5.87 0.45 3.17 1.01 -1.26 -3.74 116.67 121.04 1wpi s ASP 93 Ca 0.00 -1.47 0.25 0.00 0.71 0.00 0.00 52.55 52.04 1wpi s ASP 93 Cb 0.00 -2.08 0.78 0.00 1.01 0.00 0.00 42.92 42.63 1wpi s ASP 93 CO 0.00 -0.61 1.76 0.17 0.21 0.00 0.00 175.17 176.71 1wpi h LEU 94 N 8.57 0.00 -2.21 1.23 -0.00 -1.50 -2.90 115.31 118.50 1wpi h LEU 94 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 1wpi h LEU 94 Cb 1.09 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.75 1wpi h LEU 94 CO 0.83 0.13 0.01 1.56 -0.00 0.00 0.00 178.44 180.96 1wpi h GLN 95 N 0.00 0.00 0.00 0.17 7.50 -1.87 1.36 115.11 122.27 1wpi h GLN 95 Ca -0.00 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.11 1wpi h GLN 95 Cb 0.83 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.36 1wpi h GLN 95 CO 0.02 0.00 -0.20 0.87 -1.50 0.00 0.00 178.83 178.02 1wpi h LYS 96 N 0.00 0.00 0.00 1.46 1.79 -1.85 2.19 116.57 120.16 1wpi h LYS 96 Ca 0.00 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 58.03 1wpi h LYS 96 Cb 0.01 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.59 1wpi h LYS 96 CO -0.00 0.20 -2.51 0.00 -1.08 0.00 0.00 179.45 176.06 1wpi h VAL 98 N -0.79 0.95 -1.13 0.00 2.07 0.17 0.39 116.25 117.92 1wpi h VAL 98 Ca -0.67 -0.77 0.33 0.00 0.82 0.00 0.00 66.70 66.40 1wpi h VAL 98 Cb 1.67 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 32.84 1wpi h VAL 98 CO -0.35 0.21 1.23 0.00 0.02 0.00 0.00 177.57 178.67 1wpi n GLN 99 N -4.01 0.01 0.00 1.57 -0.00 0.74 -4.35 117.38 111.35 1wpi n GLN 99 Ca -0.02 1.01 0.00 0.00 -0.00 0.00 0.00 57.00 57.99 1wpi n GLN 99 Cb 0.29 -2.50 0.00 0.00 -0.00 0.00 0.00 30.24 28.03 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 -3.28 0.00 0.00 2.61 0.00 -1.01 -4.98 116.66 109.99 1wpi n ARG 100 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.10 1wpi n ARG 100 Cb 1.57 0.00 0.00 0.00 0.00 0.00 0.00 32.46 34.03 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 -3.27 0.00 5.14 0.00 0.14 -4.29 105.19 102.91 1wpi n GLY 101 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -4.06 0.99 0.00 -1.20 -4.12 117.00 108.61 1wpi n LEU 102 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 56.01 55.94 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 -0.32 0.86 0.00 0.00 0.00 177.39 177.93 1wpi s TRP 103 N 0.00 0.46 -0.86 1.96 -0.11 -1.26 -5.10 118.94 114.03 1wpi s TRP 103 Ca 0.00 -0.99 -0.06 0.00 1.22 0.00 0.00 56.10 56.27 1wpi s TRP 103 Cb 0.00 -0.34 0.22 0.00 -1.50 0.00 0.00 33.47 31.85 1wpi s TRP 103 CO 0.00 -0.40 0.76 0.54 -4.62 0.00 0.00 176.95 173.23 1wpi s ASN 104 N -2.88 6.23 1.00 5.86 4.22 -1.26 -4.31 114.94 123.79 1wpi s ASN 104 Ca 0.06 -3.29 -0.15 0.00 -2.14 0.00 0.00 52.86 47.34 1wpi s ASN 104 Cb 0.07 -2.01 0.19 0.00 1.28 0.00 0.00 41.25 40.78 1wpi s ASN 104 CO -0.10 -0.32 1.18 -2.16 -2.04 0.00 0.00 177.10 173.65 1wpi s PRO 105 N -0.73 0.42 -0.35 3.55 0.04 -1.26 -4.87 135.00 131.80 1wpi s PRO 105 Ca 0.24 0.02 0.14 0.00 0.04 0.00 0.00 61.00 61.43 1wpi s PRO 105 Cb -0.11 -1.78 0.43 0.00 0.04 0.00 0.00 34.50 33.07 1wpi s PRO 105 CO -0.09 -2.63 1.24 1.63 0.04 0.00 0.00 177.00 177.19 1wpi n LYS 106 N -4.01 1.26 -4.46 4.56 4.01 -1.21 -1.37 118.16 116.93 1wpi n LYS 106 Ca 0.10 -2.32 -0.31 0.00 -0.51 0.00 0.00 58.31 55.27 1wpi n LYS 106 Cb 0.59 -0.48 -0.11 0.00 -0.51 0.00 0.00 35.03 34.52 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 -1.19 2.26 -0.17 1.97 0.41 -1.22 -4.89 118.70 115.87 1wpi s GLU 107 Ca 0.22 -0.90 -0.02 0.00 -0.41 0.00 0.00 54.97 53.86 1wpi s GLU 107 Cb 0.42 -2.34 -0.01 0.00 -1.78 0.00 0.00 34.13 30.42 1wpi s GLU 107 CO -0.05 0.55 -0.08 0.00 -0.49 0.00 0.00 175.26 175.19 1wpi s ALA 108 N -1.04 2.76 -0.31 5.21 0.00 -1.26 -3.82 121.76 123.30 1wpi s ALA 108 Ca 0.18 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 51.02 1wpi s ALA 108 Cb -0.11 -1.47 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 1wpi s ALA 108 CO 0.09 -0.06 0.20 -0.51 0.00 0.00 0.00 175.76 175.47 1wpi s LEU 109 N 0.85 4.21 -0.21 0.00 1.02 -1.21 -0.36 118.68 122.98 1wpi s LEU 109 Ca -0.02 -0.30 -0.02 0.00 0.02 0.00 0.00 54.13 53.81 1wpi s LEU 109 Cb -0.15 -2.09 -0.00 0.00 0.02 0.00 0.00 46.19 43.97 1wpi s LEU 109 CO 0.01 -0.15 -0.09 0.86 0.02 0.00 0.00 176.35 177.00 1wpi s TRP 110 N 1.71 2.91 -0.03 0.29 -0.00 -1.13 -0.16 118.94 122.52 1wpi s TRP 110 Ca 0.06 -1.14 0.03 0.00 -0.00 0.00 0.00 56.10 55.05 1wpi s TRP 110 Cb -0.17 -2.05 0.00 0.00 -0.00 0.00 0.00 33.47 31.26 1wpi s TRP 110 CO 0.09 -0.62 -0.10 0.14 -0.00 0.00 0.00 176.95 176.46 1wpi s VAL 111 N 1.42 0.89 -0.17 5.86 -7.23 0.00 -0.66 120.40 120.50 1wpi s VAL 111 Ca 0.05 -0.40 -0.04 0.00 -1.81 0.00 0.00 61.98 59.78 1wpi s VAL 111 Cb -0.14 -0.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.98 1wpi s VAL 111 CO -0.06 0.28 -0.02 -0.62 -0.31 0.00 0.00 175.10 174.36 1wpi s ASP 112 N 0.26 4.80 0.00 4.85 2.15 0.82 -1.42 116.67 128.13 1wpi s ASP 112 Ca -0.05 -0.16 0.14 0.00 0.43 0.00 0.00 52.55 52.92 1wpi s ASP 112 Cb -0.10 -1.80 0.27 0.00 -0.30 0.00 0.00 42.92 40.99 1wpi s ASP 112 CO 0.01 0.13 1.16 1.87 -0.17 0.00 0.00 175.17 178.17 1wpi n TRP 113 N 3.79 0.32 -0.08 -5.34 -0.00 -1.25 -2.05 117.44 112.83 1wpi n TRP 113 Ca -0.17 -0.26 -0.22 0.00 -0.00 0.00 0.00 57.50 56.84 1wpi n TRP 113 Cb 0.52 -0.01 -0.12 0.00 -0.00 0.00 0.00 31.31 31.70 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 0.84 0.65 0.00 5.87 4.07 -1.26 -4.48 120.64 126.33 1wpi n GLU 114 Ca 0.12 0.33 0.04 0.00 -0.06 0.00 0.00 57.16 57.59 1wpi n GLU 114 Cb 0.43 -1.64 0.01 0.00 -0.06 0.00 0.00 31.44 30.17 1wpi n GLU 114 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1wpi n ASN 115 N -3.86 1.24 -1.70 4.31 5.15 -1.26 -4.86 115.26 114.28 1wpi n ASN 115 Ca -0.39 -1.12 -0.10 0.00 -0.60 0.00 0.00 54.58 52.37 1wpi n ASN 115 Cb 0.90 0.34 0.03 0.00 -0.53 0.00 0.00 39.78 40.52 1wpi n ASN 115 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1wpi n LYS 116 N -0.09 -3.03 -3.80 1.20 2.85 -1.09 -5.01 118.16 109.19 1wpi n LYS 116 Ca 0.04 0.36 -0.36 0.00 -1.05 0.00 0.00 58.31 57.29 1wpi n LYS 116 Cb 0.18 -3.99 -0.13 0.00 -0.65 0.00 0.00 35.03 30.44 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 -3.52 3.47 0.15 -5.58 1.43 -0.87 -4.80 118.68 108.97 1wpi s LEU 117 Ca 0.22 -0.48 0.07 0.00 -1.03 0.00 0.00 54.13 52.91 1wpi s LEU 117 Cb -0.10 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1wpi s LEU 117 CO 0.27 -0.10 -0.16 -0.69 0.23 0.00 0.00 176.35 175.90 1wpi s VAL 118 N 1.53 1.61 -0.30 -1.59 1.01 -1.26 0.29 120.40 121.69 1wpi s VAL 118 Ca 0.04 -1.88 -0.15 0.00 0.00 0.00 0.00 61.98 59.99 1wpi s VAL 118 Cb -0.16 -1.75 0.18 0.00 0.00 0.00 0.00 36.38 34.65 1wpi s VAL 118 CO 0.01 -0.40 1.10 -0.83 0.00 0.00 0.00 175.10 174.98 1wpi s GLY 119 N -2.68 -0.16 -0.89 4.51 0.00 0.16 -4.94 107.32 103.32 1wpi s GLY 119 Ca 0.14 3.04 -0.25 0.00 0.00 0.00 0.00 44.72 47.66 1wpi s GLY 119 CO 0.05 3.61 1.95 -1.31 0.00 0.00 0.00 173.10 177.40 1wpi s ASN 120 N 2.67 5.14 0.00 1.64 0.02 -1.26 -2.82 114.94 120.32 1wpi s ASN 120 Ca -0.02 -0.62 0.00 0.00 -1.02 0.00 0.00 52.86 51.20 1wpi s ASN 120 Cb -0.07 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.64 1wpi s ASN 120 CO -0.13 -2.74 0.00 1.21 0.02 0.00 0.00 177.10 175.46 1wpi n GLU 121 N 8.87 0.00 0.20 -0.60 2.13 0.51 -4.95 120.64 126.80 1wpi n GLU 121 Ca 0.39 0.00 0.09 0.00 0.66 0.00 0.00 57.16 58.30 1wpi n GLU 121 Cb 0.47 0.00 0.32 0.00 0.27 0.00 0.00 31.44 32.50 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 0.00 0.00 5.31 0.13 -1.84 -2.87 132.00 132.73 1wpi h PRO 122 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 1wpi h PRO 122 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1wpi h PRO 122 CO 0.00 0.25 -0.51 0.00 -0.23 0.00 0.00 178.00 177.50 1wpi h ALA 123 N 1.75 0.82 -0.70 -0.56 0.00 -1.94 -3.00 119.26 115.63 1wpi h ALA 123 Ca -0.00 -0.47 0.15 0.00 0.00 0.00 0.00 54.91 54.59 1wpi h ALA 123 Cb 0.94 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1wpi h ALA 123 CO 0.03 0.64 0.48 -0.44 0.00 0.00 0.00 179.25 179.96 1wpi h ASP 124 N 0.00 0.27 0.36 0.00 3.32 -1.79 0.52 116.42 119.09 1wpi h ASP 124 Ca -0.01 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1wpi h ASP 124 Cb 1.17 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1wpi h ASP 124 CO 0.07 0.14 -0.17 0.40 -1.72 0.00 0.00 179.24 177.95 1wpi h ILE 125 N 0.29 0.00 -0.81 0.35 2.04 -1.67 -0.59 117.51 117.11 1wpi h ILE 125 Ca 0.34 -0.65 0.18 0.00 1.00 0.00 0.00 64.86 65.73 1wpi h ILE 125 Cb 0.92 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.89 1wpi h ILE 125 CO -0.08 0.00 0.28 -0.78 0.00 0.00 0.00 178.15 177.56 1wpi h ASP 126 N -1.13 0.17 0.25 1.72 3.58 -1.43 4.91 116.42 124.48 1wpi h ASP 126 Ca -0.05 0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 1wpi h ASP 126 Cb 0.37 0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1wpi h ASP 126 CO 0.08 -0.01 -0.12 0.11 -2.88 0.00 0.00 179.24 176.43 1wpi h LYS 127 N 0.34 -0.32 0.00 0.28 6.56 -0.03 -3.27 116.57 120.13 1wpi h LYS 127 Ca 0.47 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 60.09 1wpi h LYS 127 Cb 0.84 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.57 1wpi h LYS 127 CO -0.51 -0.17 0.00 0.98 -2.06 0.00 0.00 179.45 177.69 1wpi n TYR 128 N -5.21 0.00 -3.70 -1.35 9.36 0.14 -4.85 117.16 111.56 1wpi n TYR 128 Ca -0.09 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.83 1wpi n TYR 128 Cb 0.17 -0.31 -0.14 0.00 -0.63 0.00 0.00 39.34 38.43 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 -0.73 1.08 0.00 2.97 -0.00 1.58 -4.82 121.20 121.28 1wpi s ILE 129 Ca 0.00 -2.01 0.00 0.00 -0.00 0.00 0.00 60.65 58.64 1wpi s ILE 129 Cb 0.00 -1.78 0.00 0.00 -0.00 0.00 0.00 42.46 40.68 1wpi s ILE 129 CO 0.00 -0.81 0.00 2.30 -0.00 0.00 0.00 174.94 176.43 1wpi n ILE 130 N 4.12 0.00 0.26 8.37 -0.00 -0.03 -4.00 119.36 128.09 1wpi n ILE 130 Ca 0.05 0.00 0.10 0.00 -0.00 0.00 0.00 62.75 62.89 1wpi n ILE 130 Cb 0.38 -0.15 0.51 0.00 -0.00 0.00 0.00 39.64 40.38 1wpi n ILE 130 CO 0.00 0.00 0.00 0.06 -0.00 0.00 0.00 176.55 176.61 1wpi h GLN 131 N 0.00 0.00 0.00 6.28 -0.00 -1.81 -0.90 115.11 118.68 1wpi h GLN 131 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.59 1wpi h GLN 131 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 27.48 27.38 1wpi h GLN 131 CO 0.00 0.00 -0.39 2.89 -0.00 0.00 0.00 178.83 181.33 1wpi n ARG 132 N -2.47 0.00 -0.25 0.06 -4.01 -0.52 -2.78 116.66 106.68 1wpi n ARG 132 Ca -0.01 -0.87 0.00 0.00 -1.04 0.00 0.00 57.85 55.93 1wpi n ARG 132 Cb 0.45 -0.01 0.00 0.00 -3.04 0.00 0.00 32.46 29.85 1wpi n ARG 132 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76