#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 -4.12 7.83 7.64 -1.26 -5.05 113.62 118.66 1wpi n SER 2 Ca 0.00 0.00 -0.46 0.00 1.01 0.00 0.00 58.87 59.42 1wpi n SER 2 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 1wpi n SER 2 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1wpi n PHE 3 N -0.98 -1.34 0.01 1.43 3.72 -1.26 -4.85 117.46 114.18 1wpi n PHE 3 Ca 0.00 0.11 -0.19 0.00 -0.05 0.00 0.00 57.45 57.32 1wpi n PHE 3 Cb 0.00 -2.75 -0.14 0.00 -0.94 0.00 0.00 39.48 35.65 1wpi n PHE 3 CO 0.00 0.00 0.00 2.35 -0.05 0.00 0.00 176.76 179.06 1wpi h TRP 4 N -2.58 0.39 -0.19 1.38 2.91 -1.91 -3.12 115.95 112.84 1wpi h TRP 4 Ca -0.71 -0.29 -0.08 0.00 1.13 0.00 0.00 58.89 58.94 1wpi h TRP 4 Cb 1.40 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 30.04 1wpi h TRP 4 CO 0.39 1.31 -0.21 0.87 -1.03 0.00 0.00 178.44 179.77 1wpi h LYS 5 N -0.51 0.47 -3.60 2.65 6.56 -1.80 -3.40 116.57 116.94 1wpi h LYS 5 Ca -0.16 -0.26 -0.54 0.00 -1.06 0.00 0.00 60.65 58.63 1wpi h LYS 5 Cb 1.53 0.01 -0.40 0.00 -0.57 0.00 0.00 32.23 32.80 1wpi h LYS 5 CO 0.09 0.83 -0.76 0.95 -2.06 0.00 0.00 179.45 178.50 1wpi s THR 6 N -4.29 0.70 0.28 -0.16 -4.23 -1.26 -3.61 115.64 103.08 1wpi s THR 6 Ca -0.13 -0.85 0.01 0.00 -1.18 0.00 0.00 61.69 59.53 1wpi s THR 6 Cb 0.06 -1.27 0.39 0.00 1.34 0.00 0.00 72.50 73.02 1wpi s THR 6 CO 0.78 -0.34 1.43 0.18 -0.54 0.00 0.00 174.62 176.13 1wpi n LEU 7 N 4.97 -0.13 -3.73 4.79 4.32 -1.18 -4.21 117.00 121.82 1wpi n LEU 7 Ca -0.07 1.55 -0.13 0.00 -0.02 0.00 0.00 56.01 57.34 1wpi n LEU 7 Cb 0.45 -0.56 -0.14 0.00 -1.62 0.00 0.00 43.42 41.56 1wpi n LEU 7 CO 0.13 -1.57 -0.18 -1.58 -1.22 0.00 0.00 177.39 172.97 1wpi s GLN 8 N -5.92 0.14 0.47 3.23 0.74 -1.26 -4.71 119.66 112.35 1wpi s GLN 8 Ca -0.12 0.46 0.00 0.00 0.05 0.00 0.00 55.36 55.75 1wpi s GLN 8 Cb 0.27 -0.16 0.00 0.00 1.10 0.00 0.00 33.01 34.22 1wpi s GLN 8 CO 0.71 -0.17 0.00 0.54 -0.55 0.00 0.00 175.29 175.82 1wpi n ARG 9 N 4.30 -5.24 -3.34 1.67 3.00 -1.26 -4.88 116.66 110.90 1wpi n ARG 9 Ca -0.25 3.83 -0.38 0.00 -0.01 0.00 0.00 57.85 61.05 1wpi n ARG 9 Cb 0.52 -4.27 -0.06 0.00 0.00 0.00 0.00 32.46 28.65 1wpi n ARG 9 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1wpi s GLN 10 N -2.69 4.29 0.00 5.56 1.11 -1.26 -4.74 119.66 121.93 1wpi s GLN 10 Ca 0.00 0.38 0.00 0.00 0.01 0.00 0.00 55.36 55.75 1wpi s GLN 10 Cb 0.00 -3.47 0.00 0.00 -1.01 0.00 0.00 33.01 28.53 1wpi s GLN 10 CO 0.00 0.10 0.00 -0.35 0.01 0.00 0.00 175.29 175.05 1wpi n PRO 11 N 3.92 1.32 0.00 2.91 -0.04 -1.26 -4.87 135.00 136.98 1wpi n PRO 11 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1wpi n PRO 11 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1wpi n PRO 11 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1wpi n ARG 12 N 0.00 0.00 -3.80 0.54 3.00 -1.26 -4.97 116.66 110.17 1wpi n ARG 12 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.49 1wpi n ARG 12 Cb 0.00 -0.29 -0.13 0.00 0.00 0.00 0.00 32.46 32.04 1wpi n ARG 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1wpi s THR 13 N -1.12 3.84 -0.36 5.15 2.01 -1.26 -4.05 115.64 119.85 1wpi s THR 13 Ca 0.00 -0.56 -0.14 0.00 0.31 0.00 0.00 61.69 61.30 1wpi s THR 13 Cb 0.00 -2.89 -0.01 0.00 0.01 0.00 0.00 72.50 69.61 1wpi s THR 13 CO 0.00 0.22 0.28 -0.63 -0.69 0.00 0.00 174.62 173.80 1wpi s ILE 14 N 1.51 5.25 -0.56 1.82 -1.09 -1.23 -3.62 121.20 123.28 1wpi s ILE 14 Ca 0.04 -0.25 -0.16 0.00 -2.23 0.00 0.00 60.65 58.05 1wpi s ILE 14 Cb -0.16 -3.79 0.13 0.00 -1.58 0.00 0.00 42.46 37.06 1wpi s ILE 14 CO 0.01 -0.09 0.54 -0.44 -1.23 0.00 0.00 174.94 173.72 1wpi s SER 15 N 1.72 6.20 -0.15 3.58 0.01 0.12 -1.74 113.70 123.45 1wpi s SER 15 Ca 0.07 -1.76 0.02 0.00 1.31 0.00 0.00 55.95 55.59 1wpi s SER 15 Cb -0.17 -2.22 0.01 0.00 0.21 0.00 0.00 66.02 63.84 1wpi s SER 15 CO 0.11 -0.89 -0.20 -0.22 0.41 0.00 0.00 173.24 172.45 1wpi s LEU 16 N 1.72 2.22 0.18 2.44 2.96 -1.05 0.13 118.68 127.28 1wpi s LEU 16 Ca 0.05 -0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 53.37 1wpi s LEU 16 Cb -0.29 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1wpi s LEU 16 CO 0.03 0.07 0.38 -0.36 -1.32 0.00 0.00 176.35 175.15 1wpi s PHE 17 N 0.86 3.48 -0.02 5.38 0.08 0.46 -2.79 117.98 125.43 1wpi s PHE 17 Ca -0.06 0.38 -0.00 0.00 0.12 0.00 0.00 56.93 57.37 1wpi s PHE 17 Cb -0.15 -1.88 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 1wpi s PHE 17 CO -0.02 0.40 0.04 0.99 -0.10 0.00 0.00 175.22 176.53 1wpi s THR 18 N -1.80 4.49 -0.40 0.64 2.01 0.21 -1.85 115.64 118.94 1wpi s THR 18 Ca 0.39 -0.43 0.07 0.00 0.31 0.00 0.00 61.69 62.04 1wpi s THR 18 Cb -0.11 -3.01 0.24 0.00 0.01 0.00 0.00 72.50 69.63 1wpi s THR 18 CO 0.28 0.41 0.52 0.59 -0.69 0.00 0.00 174.62 175.73 1wpi n ASN 19 N 1.44 -0.14 -0.98 3.53 3.02 -1.19 -3.68 115.26 117.26 1wpi n ASN 19 Ca -0.15 -2.68 0.10 0.00 -0.03 0.00 0.00 54.58 51.82 1wpi n ASN 19 Cb 0.53 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 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 1.64 -4.50 0.00 6.41 -0.08 -1.26 -2.33 116.55 116.44 1wpi n ASP 20 Ca 0.22 0.52 0.00 0.00 -1.51 0.00 0.00 54.79 54.02 1wpi n ASP 20 Cb 0.53 -3.12 0.00 0.00 2.34 0.00 0.00 41.12 40.86 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 -3.15 0.00 -0.84 5.18 -6.64 -1.26 -3.38 119.36 109.27 1wpi n ILE 21 Ca -0.02 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.96 1wpi n ILE 21 Cb 0.60 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.80 1wpi n ILE 21 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1wpi n ALA 22 N -3.00 0.00 -0.21 -1.28 0.00 -1.26 -4.79 120.51 109.98 1wpi n ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wpi n ALA 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1wpi n ALA 22 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wpi n SER 23 N 0.00 0.00 -4.44 0.00 2.88 -1.26 -2.35 113.62 108.45 1wpi n SER 23 Ca 0.00 0.06 -0.44 0.00 -1.33 0.00 0.00 58.87 57.16 1wpi n SER 23 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1wpi n SER 23 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1wpi s ASN 24 N -0.62 6.41 0.42 -3.46 0.01 -1.26 -4.86 114.94 111.58 1wpi s ASN 24 Ca 0.00 -1.58 0.27 0.00 -0.71 0.00 0.00 52.86 50.85 1wpi s ASN 24 Cb 0.00 -2.40 1.38 0.00 0.41 0.00 0.00 41.25 40.64 1wpi s ASN 24 CO 0.00 -1.22 1.63 0.40 -1.51 0.00 0.00 177.10 176.40 1wpi h ILE 25 N 5.90 0.14 0.00 0.60 5.03 -1.83 1.93 117.51 129.28 1wpi h ILE 25 Ca -0.06 -0.04 0.00 0.00 -0.12 0.00 0.00 64.86 64.64 1wpi h ILE 25 Cb 1.05 0.02 0.00 0.00 -3.03 0.00 0.00 36.82 34.86 1wpi h ILE 25 CO 1.14 0.02 -0.25 0.11 -0.68 0.00 0.00 178.15 178.48 1wpi h LYS 26 N 0.11 0.00 0.08 2.37 6.56 -1.89 -3.23 116.57 120.57 1wpi h LYS 26 Ca 0.81 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 60.40 1wpi h LYS 26 Cb 2.43 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 34.08 1wpi h LYS 26 CO -0.47 0.00 -0.09 1.03 -2.06 0.00 0.00 179.45 177.86 1wpi h SER 27 N -0.94 -0.26 -1.03 0.86 0.87 -1.56 -0.75 113.55 110.74 1wpi h SER 27 Ca 0.00 0.02 0.30 0.00 -1.23 0.00 0.00 61.79 60.88 1wpi h SER 27 Cb 0.25 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 1wpi h SER 27 CO 0.00 -0.12 1.05 -0.61 -0.53 0.00 0.00 176.83 176.62 1wpi h GLN 28 N -0.18 0.00 0.00 2.24 5.75 0.27 0.64 115.11 123.83 1wpi h GLN 28 Ca -0.01 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1wpi h GLN 28 Cb 0.16 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.71 1wpi h GLN 28 CO -0.02 0.00 0.00 1.17 -2.65 0.00 0.00 178.83 177.33 1wpi n LYS 29 N -3.50 0.00 -0.12 1.69 0.00 -0.30 -3.69 118.16 112.24 1wpi n LYS 29 Ca 0.23 0.04 -0.24 0.00 0.00 0.00 0.00 58.31 58.34 1wpi n LYS 29 Cb 1.38 -0.84 -0.10 0.00 0.00 0.00 0.00 35.03 35.47 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 -4.35 0.28 -0.06 0.00 7.99 0.20 0.32 117.00 121.38 1wpi n LEU 31 Ca -0.41 1.36 -0.15 0.00 -0.01 0.00 0.00 56.01 56.80 1wpi n LEU 31 Cb 0.75 -0.66 -0.13 0.00 -0.11 0.00 0.00 43.42 43.27 1wpi n LEU 31 CO 0.11 -1.52 0.36 1.56 -1.51 0.00 0.00 177.39 176.39 1wpi h GLN 32 N 0.00 0.03 -0.15 3.23 1.08 -1.06 -0.66 115.11 117.59 1wpi h GLN 32 Ca 0.71 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.87 1wpi h GLN 32 Cb 1.91 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 29.35 1wpi h GLN 32 CO -0.62 1.02 0.07 1.25 -0.95 0.00 0.00 178.83 179.59 1wpi h LEU 33 N -0.93 0.10 -0.24 1.46 5.85 0.14 -0.09 115.31 121.59 1wpi h LEU 33 Ca -0.01 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1wpi h LEU 33 Cb 1.05 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1wpi h LEU 33 CO 0.01 0.08 0.00 0.18 -0.34 0.00 0.00 178.44 178.37 1wpi n LEU 34 N -5.03 0.46 0.05 2.25 4.77 0.96 -2.87 117.00 117.59 1wpi n LEU 34 Ca -0.04 0.58 0.02 0.00 -0.03 0.00 0.00 56.01 56.54 1wpi n LEU 34 Cb 0.05 -0.48 0.13 0.00 -2.33 0.00 0.00 43.42 40.79 1wpi n LEU 34 CO 0.32 -0.30 0.59 2.29 -1.33 0.00 0.00 177.39 178.96 1wpi n LYS 35 N -1.97 0.03 0.00 3.23 -0.00 -0.05 -3.64 118.16 115.76 1wpi n LYS 35 Ca 0.04 0.44 0.00 0.00 -0.00 0.00 0.00 58.31 58.79 1wpi n LYS 35 Cb 0.29 -1.74 0.00 0.00 -0.00 0.00 0.00 35.03 33.58 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 -1.35 -1.91 1.46 2.58 0.00 -1.14 -4.95 105.19 99.89 1wpi n GLY 36 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1wpi n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wpi n ASP 37 N 0.00 0.49 0.00 1.61 8.00 -1.24 -5.12 116.55 120.30 1wpi n ASP 37 Ca 0.00 -1.42 0.00 0.00 0.71 0.00 0.00 54.79 54.08 1wpi n ASP 37 Cb 0.00 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 1wpi n ASP 37 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1wpi n VAL 38 N -1.96 0.00 0.00 2.53 0.31 -1.26 -4.48 118.33 113.46 1wpi n VAL 38 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1wpi n VAL 38 Cb 0.22 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.15 1wpi n VAL 38 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1wpi n SER 39 N 0.00 0.00 -3.77 4.52 3.41 -1.26 -4.97 113.62 111.55 1wpi n SER 39 Ca 0.00 0.00 -0.48 0.00 -0.26 0.00 0.00 58.87 58.13 1wpi n SER 39 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1wpi n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wpi n HIS 40 N -1.19 0.43 0.00 7.33 1.44 -1.26 -4.77 115.22 117.20 1wpi n HIS 40 Ca 0.00 0.88 0.00 0.00 -2.01 0.00 0.00 57.72 56.59 1wpi n HIS 40 Cb 0.00 -1.74 0.00 0.00 0.12 0.00 0.00 29.99 28.37 1wpi n HIS 40 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 1wpi n ARG 41 N 1.21 0.00 -2.65 -1.40 3.00 -1.26 -5.05 116.66 110.51 1wpi n ARG 41 Ca 0.17 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.80 1wpi n ARG 41 Cb 0.08 0.00 0.07 0.00 0.00 0.00 0.00 32.46 32.61 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 -4.00 2.22 -0.16 -0.14 0.40 -1.23 -5.08 117.98 109.99 1wpi s PHE 42 Ca 0.00 -0.18 -0.14 0.00 -0.60 0.00 0.00 56.93 56.01 1wpi s PHE 42 Cb 0.00 -2.81 -0.05 0.00 0.51 0.00 0.00 43.02 40.68 1wpi s PHE 42 CO 0.00 -1.24 0.32 -0.51 0.70 0.00 0.00 175.22 174.49 1wpi s ASP 43 N -4.57 6.46 0.05 1.36 1.01 -1.24 -4.72 116.67 115.02 1wpi s ASP 43 Ca 0.61 0.54 -0.09 0.00 0.71 0.00 0.00 52.55 54.32 1wpi s ASP 43 Cb -0.08 -2.20 -0.05 0.00 1.01 0.00 0.00 42.92 41.60 1wpi s ASP 43 CO 0.41 0.08 0.35 0.68 0.21 0.00 0.00 175.17 176.89 1wpi s VAL 44 N 0.55 5.17 -0.27 -1.27 -7.23 -1.24 -3.54 120.40 112.57 1wpi s VAL 44 Ca 0.18 0.34 -0.06 0.00 -1.81 0.00 0.00 61.98 60.63 1wpi s VAL 44 Cb -0.13 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.20 1wpi s VAL 44 CO 0.05 0.32 0.04 -1.61 -0.31 0.00 0.00 175.10 173.59 1wpi s GLU 45 N -1.85 3.16 -0.39 4.82 2.02 -0.71 -4.98 118.70 120.77 1wpi s GLU 45 Ca 0.31 -0.80 -0.02 0.00 0.02 0.00 0.00 54.97 54.48 1wpi s GLU 45 Cb -0.14 -3.26 0.10 0.00 0.10 0.00 0.00 34.13 30.93 1wpi s GLU 45 CO 0.17 -0.38 0.16 0.42 0.02 0.00 0.00 175.26 175.66 1wpi s ILE 46 N 1.48 3.15 -0.03 -1.63 -1.09 -1.26 -2.53 121.20 119.30 1wpi s ILE 46 Ca 0.03 -1.99 -0.04 0.00 -2.23 0.00 0.00 60.65 56.42 1wpi s ILE 46 Cb -0.16 -3.13 0.01 0.00 -1.58 0.00 0.00 42.46 37.59 1wpi s ILE 46 CO 0.01 -0.60 0.10 0.00 -1.23 0.00 0.00 174.94 173.21 1wpi s ALA 47 N 1.13 -0.24 -0.25 9.38 0.00 -1.12 -5.00 121.76 125.67 1wpi s ALA 47 Ca 0.07 0.21 -0.07 0.00 0.00 0.00 0.00 51.96 52.16 1wpi s ALA 47 Cb -0.22 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1wpi s ALA 47 CO -0.04 -0.07 0.06 0.54 0.00 0.00 0.00 175.76 176.26 1wpi s ASN 48 N -0.13 5.08 0.05 0.00 2.20 -1.26 0.64 114.94 121.51 1wpi s ASN 48 Ca -0.02 -0.24 -0.27 0.00 -0.94 0.00 0.00 52.86 51.40 1wpi s ASN 48 Cb -0.02 -1.91 0.09 0.00 -2.00 0.00 0.00 41.25 37.41 1wpi s ASN 48 CO 0.00 -0.04 0.76 0.00 -2.94 0.00 0.00 177.10 174.88 1wpi s ARG 49 N 1.60 1.02 -0.32 3.55 1.70 -1.24 -4.76 118.95 120.50 1wpi s ARG 49 Ca 0.06 -0.31 -0.28 0.00 -0.47 0.00 0.00 55.73 54.73 1wpi s ARG 49 Cb -0.15 0.47 -0.02 0.00 -0.57 0.00 0.00 34.95 34.68 1wpi s ARG 49 CO 0.03 -0.43 1.76 -0.59 -1.08 0.00 0.00 175.30 174.99 1wpi s PHE 50 N -3.16 1.86 -0.87 5.89 -0.71 -1.26 -4.75 117.98 114.99 1wpi s PHE 50 Ca 0.02 0.61 -0.07 0.00 -1.04 0.00 0.00 56.93 56.45 1wpi s PHE 50 Cb -0.01 -4.13 -0.11 0.00 -1.21 0.00 0.00 43.02 37.56 1wpi s PHE 50 CO -0.09 -2.93 2.59 -0.35 -1.34 0.00 0.00 175.22 173.10 1wpi n PRO 51 N 8.33 2.41 -1.16 1.99 -0.04 -1.26 -4.88 135.00 140.38 1wpi n PRO 51 Ca 0.22 -1.48 -0.34 0.00 -0.04 0.00 0.00 63.50 61.86 1wpi n PRO 51 Cb 0.47 -2.39 0.12 0.00 -0.04 0.00 0.00 33.50 31.65 1wpi n PRO 51 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wpi n THR 52 N 3.55 2.18 0.31 0.52 -2.24 -1.26 -4.60 114.28 112.74 1wpi n THR 52 Ca 0.51 -0.25 0.17 0.00 -2.27 0.00 0.00 64.05 62.21 1wpi n THR 52 Cb 0.32 -1.14 0.98 0.00 -2.10 0.00 0.00 70.33 68.39 1wpi n THR 52 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 1wpi h TRP 53 N -0.75 0.00 -0.20 4.78 -0.00 -1.92 0.30 115.95 118.16 1wpi h TRP 53 Ca -0.46 0.00 0.03 0.00 -0.00 0.00 0.00 58.89 58.45 1wpi h TRP 53 Cb 1.31 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 30.41 1wpi h TRP 53 CO 0.44 0.00 -0.41 -0.44 -0.00 0.00 0.00 178.44 178.03 1wpi h ASP 54 N 0.00 -1.34 0.37 -3.49 5.19 -1.96 1.99 116.42 117.17 1wpi h ASP 54 Ca -0.00 0.17 -0.32 0.00 -0.62 0.00 0.00 57.03 56.26 1wpi h ASP 54 Cb 0.01 0.54 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 1wpi h ASP 54 CO 0.00 -0.33 -1.64 -0.61 -3.12 0.00 0.00 179.24 173.54 1wpi h GLN 55 N -0.37 0.26 0.00 3.56 5.75 -1.83 -3.26 115.11 119.23 1wpi h GLN 55 Ca 0.04 -0.45 0.00 0.00 -0.15 0.00 0.00 58.65 58.09 1wpi h GLN 55 Cb 0.47 0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.19 1wpi h GLN 55 CO -0.38 1.12 0.00 1.25 -2.65 0.00 0.00 178.83 178.16 1wpi h LEU 56 N 0.07 0.00 -1.50 -2.39 7.12 -0.26 -2.67 115.31 115.67 1wpi h LEU 56 Ca -0.29 0.00 0.37 0.00 0.13 0.00 0.00 57.88 58.10 1wpi h LEU 56 Cb 2.03 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 42.11 1wpi h LEU 56 CO 0.15 0.00 1.18 0.06 -0.13 0.00 0.00 178.44 179.71 1wpi h GLN 57 N 0.00 0.00 0.55 1.25 -0.00 0.31 0.64 115.11 117.87 1wpi h GLN 57 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.62 1wpi h GLN 57 Cb 0.12 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 27.60 1wpi h GLN 57 CO 0.00 0.00 -0.26 1.88 -0.00 0.00 0.00 178.83 180.45 1wpi h TYR 58 N 0.00 -0.68 0.02 0.06 0.05 -1.73 -2.84 116.97 111.85 1wpi h TYR 58 Ca 0.61 -0.02 -0.21 0.00 0.05 0.00 0.00 58.73 59.16 1wpi h TYR 58 Cb 2.97 0.23 -0.02 0.00 1.01 0.00 0.00 36.73 40.92 1wpi h TYR 58 CO 0.00 -0.37 -0.97 0.52 -1.05 0.00 0.00 178.16 176.29 1wpi h MET 59 N -0.87 0.08 -0.59 4.88 2.86 -0.25 -2.97 114.93 118.07 1wpi h MET 59 Ca -0.08 -0.12 0.17 0.00 -2.06 0.00 0.00 59.70 57.62 1wpi h MET 59 Cb 0.62 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 1wpi h MET 59 CO 0.12 0.98 0.48 0.07 1.06 0.00 0.00 176.91 179.62 1wpi h ARG 60 N 0.03 0.00 0.05 1.72 -0.00 -0.09 1.06 114.38 117.15 1wpi h ARG 60 Ca -0.04 0.00 -0.27 0.00 -0.00 0.00 0.00 59.98 59.67 1wpi h ARG 60 Cb 1.67 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 31.61 1wpi h ARG 60 CO 0.14 0.00 -1.47 1.79 -0.00 0.00 0.00 179.97 180.43 1wpi h THR 61 N 0.00 0.85 0.00 0.08 1.35 -1.48 -3.36 112.91 110.36 1wpi h THR 61 Ca 0.28 -2.25 -0.02 0.00 -0.55 0.00 0.00 66.41 63.88 1wpi h THR 61 Cb 1.23 2.36 -0.00 0.00 -1.73 0.00 0.00 68.15 70.01 1wpi h THR 61 CO -0.00 0.52 -0.07 0.28 -0.25 0.00 0.00 175.52 175.99 1wpi h SER 62 N -0.63 0.00 -4.19 5.36 0.02 -1.10 -3.41 113.55 109.59 1wpi h SER 62 Ca -0.36 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.15 1wpi h SER 62 Cb 1.55 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.81 1wpi h SER 62 CO -0.10 0.07 -0.79 0.00 -1.14 0.00 0.00 176.83 174.87 1wpi h PRO 64 N 5.59 0.30 -0.64 0.00 0.13 -1.81 -3.04 132.00 132.54 1wpi h PRO 64 Ca -0.34 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1wpi h PRO 64 Cb 1.17 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1wpi h PRO 64 CO 0.48 0.98 0.00 0.94 -0.23 0.00 0.00 178.00 180.16 1wpi n GLN 65 N -3.75 2.64 -0.21 0.86 7.27 -1.26 -4.48 117.38 118.45 1wpi n GLN 65 Ca -0.04 -2.32 -0.01 0.00 0.07 0.00 0.00 57.00 54.69 1wpi n GLN 65 Cb 0.77 -1.55 0.05 0.00 2.41 0.00 0.00 30.24 31.92 1wpi n GLN 65 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1wpi h GLY 66 N 4.58 0.33 0.33 1.69 0.00 -1.76 0.49 103.07 108.73 1wpi h GLY 66 Ca 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 1wpi h GLY 66 CO 0.04 -0.24 -0.08 -0.56 0.00 0.00 0.00 176.54 175.70 1wpi h PRO 67 N -0.05 0.06 -1.12 4.80 0.13 -1.83 -3.17 132.00 130.82 1wpi h PRO 67 Ca 0.29 -0.06 0.32 0.00 -0.87 0.00 0.00 66.00 65.68 1wpi h PRO 67 Cb 0.50 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.59 1wpi h PRO 67 CO -0.67 0.80 0.79 0.28 -0.23 0.00 0.00 178.00 178.97 1wpi h VAL 68 N -0.65 0.44 -0.18 1.56 2.07 -1.69 1.59 116.25 119.40 1wpi h VAL 68 Ca -0.01 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1wpi h VAL 68 Cb 0.82 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1wpi h VAL 68 CO 0.02 0.02 0.01 0.28 0.02 0.00 0.00 177.57 177.91 1wpi h SER 69 N 0.09 0.23 0.05 0.57 0.02 -0.00 0.43 113.55 114.93 1wpi h SER 69 Ca 0.56 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.48 1wpi h SER 69 Cb 2.04 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.53 1wpi h SER 69 CO -0.07 0.27 -0.03 -0.07 -1.14 0.00 0.00 176.83 175.79 1wpi h LEU 70 N 0.25 -0.06 -1.10 5.07 -0.00 0.22 0.31 115.31 120.00 1wpi h LEU 70 Ca 0.06 -0.59 0.06 0.00 -0.00 0.00 0.00 57.88 57.41 1wpi h LEU 70 Cb 0.16 0.02 -0.06 0.00 -0.00 0.00 0.00 40.66 40.77 1wpi h LEU 70 CO 0.00 0.65 0.61 1.56 -0.00 0.00 0.00 178.44 181.26 1wpi h GLN 71 N -0.86 1.06 0.00 1.13 4.20 -1.12 0.14 115.11 119.65 1wpi h GLN 71 Ca -0.01 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1wpi h GLN 71 Cb 0.65 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1wpi h GLN 71 CO 0.01 0.70 -0.22 0.00 -0.67 0.00 0.00 178.83 178.65 1wpi h ARG 72 N 1.09 0.00 -0.09 1.46 2.47 -0.20 -3.27 114.38 115.84 1wpi h ARG 72 Ca 0.40 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.89 1wpi h ARG 72 Cb 0.17 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.51 1wpi h ARG 72 CO -0.15 0.00 -0.86 0.37 0.56 0.00 0.00 179.97 179.89 1wpi h GLN 73 N 0.00 0.73 -7.48 0.04 -0.00 0.18 -3.45 115.11 105.13 1wpi h GLN 73 Ca -0.00 -0.68 -0.49 0.00 -0.00 0.00 0.00 58.65 57.49 1wpi h GLN 73 Cb 1.00 0.16 0.09 0.00 0.00 0.00 0.00 27.48 28.74 1wpi h GLN 73 CO 0.00 1.27 0.39 -1.50 0.00 0.00 0.00 178.83 178.99 1wpi s ILE 74 N -3.56 3.04 1.08 2.39 2.07 0.26 -4.75 121.20 121.72 1wpi s ILE 74 Ca -0.10 0.34 -0.17 0.00 -1.41 0.00 0.00 60.65 59.30 1wpi s ILE 74 Cb 0.08 -3.25 0.24 0.00 0.13 0.00 0.00 42.46 39.66 1wpi s ILE 74 CO 0.90 -0.44 1.22 -2.16 -1.91 0.00 0.00 174.94 172.55 1wpi s PRO 75 N -5.33 -0.25 -1.08 3.50 0.04 -1.26 -4.27 135.00 126.34 1wpi s PRO 75 Ca 0.60 -0.23 -0.26 0.00 0.04 0.00 0.00 61.00 61.15 1wpi s PRO 75 Cb -0.12 -1.72 0.04 0.00 0.04 0.00 0.00 34.50 32.73 1wpi s PRO 75 CO 0.52 -3.04 0.64 1.17 0.04 0.00 0.00 177.00 176.33 1wpi n LYS 76 N -4.25 -0.54 -0.03 4.56 4.81 -1.26 -4.41 118.16 117.04 1wpi n LYS 76 Ca 0.14 0.20 -0.03 0.00 -0.87 0.00 0.00 58.31 57.75 1wpi n LYS 76 Cb 0.59 -2.27 -0.02 0.00 0.02 0.00 0.00 35.03 33.35 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 -1.93 -0.45 -1.17 3.14 4.07 -1.80 1.11 115.31 118.27 1wpi h LEU 77 Ca -0.68 0.06 0.28 0.00 0.08 0.00 0.00 57.88 57.62 1wpi h LEU 77 Cb 1.36 0.18 -0.04 0.00 1.08 0.00 0.00 40.66 43.25 1wpi h LEU 77 CO 0.47 -0.10 1.14 -0.78 -1.08 0.00 0.00 178.44 178.09 1wpi h ASP 78 N -0.10 0.00 0.12 -0.43 1.82 -1.91 10.62 116.42 126.54 1wpi h ASP 78 Ca 0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 1wpi h ASP 78 Cb 0.15 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.16 1wpi h ASP 78 CO -0.14 0.00 -0.06 -1.28 -1.61 0.00 0.00 179.24 176.15 1wpi h SER 79 N 0.00 -0.14 0.66 2.28 0.87 0.80 -3.33 113.55 114.69 1wpi h SER 79 Ca 0.47 -0.03 -0.27 0.00 -1.23 0.00 0.00 61.79 60.72 1wpi h SER 79 Cb 2.74 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 64.72 1wpi h SER 79 CO -0.00 0.36 -1.34 1.62 -0.53 0.00 0.00 176.83 176.94 1wpi h VAL 80 N -1.04 1.35 0.00 2.23 3.04 0.32 0.86 116.25 123.01 1wpi h VAL 80 Ca -0.02 -3.02 0.00 0.00 -1.01 0.00 0.00 66.70 62.65 1wpi h VAL 80 Cb 0.16 2.78 0.00 0.00 -2.01 0.00 0.00 31.29 32.22 1wpi h VAL 80 CO 0.03 0.84 0.08 -0.11 -1.01 0.00 0.00 177.57 177.39 1wpi n LEU 81 N -3.38 0.00 0.00 3.16 -0.00 3.30 -3.91 117.00 116.17 1wpi n LEU 81 Ca -0.10 0.21 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 1wpi n LEU 81 Cb 1.01 -0.21 0.00 0.00 -0.00 0.00 0.00 43.42 44.22 1wpi n LEU 81 CO 0.49 -0.21 0.00 1.17 -0.00 0.00 0.00 177.39 178.85 1wpi n LYS 82 N -1.15 0.00 -0.13 1.96 4.81 -1.21 -4.93 118.16 117.51 1wpi n LYS 82 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1wpi n LYS 82 Cb 0.08 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.13 1wpi n LYS 82 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1wpi n TYR 83 N 0.00 0.00 0.00 5.64 4.01 -1.03 -5.05 117.16 120.74 1wpi n TYR 83 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1wpi n TYR 83 Cb 0.00 0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 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 0.00 2.29 0.16 -0.72 4.81 0.30 -3.61 118.16 121.38 1wpi n LYS 84 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 1wpi n LYS 84 Cb 0.35 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.48 1wpi n LYS 84 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1wpi n HIS 85 N -0.05 0.00 0.29 5.64 8.25 -1.26 0.14 115.22 128.23 1wpi n HIS 85 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 1wpi n HIS 85 Cb 0.00 -0.05 0.59 0.00 1.12 0.00 0.00 29.99 31.65 1wpi n HIS 85 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wpi h THR 86 N 0.00 0.00 0.00 1.59 1.03 -1.75 -3.30 112.91 110.48 1wpi h THR 86 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.49 1wpi h THR 86 Cb 1.73 0.48 0.00 0.00 -1.07 0.00 0.00 68.15 69.29 1wpi h THR 86 CO -0.00 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 175.98 1wpi n ASP 87 N -2.60 0.00 -0.47 0.00 8.00 0.37 -3.88 116.55 117.97 1wpi n ASP 87 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1wpi n ASP 87 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 1wpi n ASP 87 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1wpi n PRO 88 N 0.00 0.75 -0.05 -0.24 -0.04 -1.26 -3.44 135.00 130.72 1wpi n PRO 88 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1wpi n PRO 88 Cb 0.00 -1.35 -0.13 0.00 -0.04 0.00 0.00 33.50 31.98 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 1.72 0.00 0.52 1.03 -1.69 -3.37 112.91 111.12 1wpi h THR 89 Ca 0.00 -2.28 0.00 0.00 -0.01 0.00 0.00 66.41 64.12 1wpi h THR 89 Cb 0.35 3.26 0.00 0.00 -1.07 0.00 0.00 68.15 70.69 1wpi h THR 89 CO 0.00 0.60 -1.70 0.49 -0.01 0.00 0.00 175.52 174.91 1wpi n PHE 90 N -4.55 0.28 0.00 0.00 3.72 -1.22 -4.22 117.46 111.47 1wpi n PHE 90 Ca -0.10 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1wpi n PHE 90 Cb 0.52 -0.63 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 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 1.24 -1.11 0.00 1.37 0.00 -1.22 -1.32 105.19 104.15 1wpi n GLY 91 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.74 1.61 -0.00 -1.26 -1.79 117.12 111.94 1wpi n MET 92 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.70 57.32 1wpi n MET 92 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 33.22 33.10 1wpi n MET 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1wpi s ASP 93 N -0.87 5.33 -0.18 3.17 1.01 -1.26 -4.13 116.67 119.74 1wpi s ASP 93 Ca 0.00 -1.48 -0.16 0.00 0.71 0.00 0.00 52.55 51.61 1wpi s ASP 93 Cb 0.00 -1.87 -0.12 0.00 1.01 0.00 0.00 42.92 41.94 1wpi s ASP 93 CO 0.00 -0.43 0.05 -0.11 0.21 0.00 0.00 175.17 174.89 1wpi n LEU 94 N 4.76 1.84 0.02 1.23 7.94 -0.43 -4.04 117.00 128.32 1wpi n LEU 94 Ca -0.09 0.51 0.22 0.00 -1.11 0.00 0.00 56.01 55.54 1wpi n LEU 94 Cb 0.43 -0.93 0.69 0.00 0.53 0.00 0.00 43.42 44.14 1wpi n LEU 94 CO 0.33 -0.03 1.20 -0.61 -1.11 0.00 0.00 177.39 177.18 1wpi h GLN 95 N -1.00 0.00 0.00 1.96 -0.00 -1.86 1.72 115.11 115.93 1wpi h GLN 95 Ca -0.21 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.38 1wpi h GLN 95 Cb 0.99 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.46 1wpi h GLN 95 CO -0.13 0.00 -0.27 0.87 0.00 0.00 0.00 178.83 179.30 1wpi h LYS 96 N 0.00 0.00 0.00 1.69 1.79 -1.88 3.18 116.57 121.34 1wpi h LYS 96 Ca 0.26 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.34 1wpi h LYS 96 Cb 1.47 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 32.05 1wpi h LYS 96 CO -0.00 0.27 -2.47 0.00 -1.08 0.00 0.00 179.45 176.17 1wpi h VAL 98 N -0.13 0.78 -1.55 0.00 2.07 0.67 -0.96 116.25 117.13 1wpi h VAL 98 Ca -0.59 -1.53 0.46 0.00 0.82 0.00 0.00 66.70 65.86 1wpi h VAL 98 Cb 1.85 1.98 -0.07 0.00 -1.52 0.00 0.00 31.29 33.52 1wpi h VAL 98 CO -0.13 0.35 1.10 0.00 0.02 0.00 0.00 177.57 178.90 1wpi n GLN 99 N -3.43 -0.01 0.00 1.57 -0.00 1.06 -4.42 117.38 112.15 1wpi n GLN 99 Ca 0.00 0.92 0.00 0.00 -0.00 0.00 0.00 57.00 57.92 1wpi n GLN 99 Cb 0.53 -2.06 0.00 0.00 -0.00 0.00 0.00 30.24 28.71 1wpi n GLN 99 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 1wpi n ARG 100 N -3.72 0.00 0.00 2.61 1.85 -1.21 -4.91 116.66 111.28 1wpi n ARG 100 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.21 1wpi n ARG 100 Cb 1.61 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 33.02 1wpi n ARG 100 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wpi n GLY 101 N 0.00 -0.67 0.00 2.89 0.00 -0.95 -4.17 105.19 102.29 1wpi n GLY 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.77 0.99 -0.00 -0.41 -4.83 117.00 108.98 1wpi n LEU 102 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 1wpi n LEU 102 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 1wpi n LEU 102 CO 0.00 0.00 0.00 0.26 -0.00 0.00 0.00 177.39 177.65 1wpi s TRP 103 N 0.00 -0.06 -0.55 1.96 0.52 -1.26 -5.07 118.94 114.49 1wpi s TRP 103 Ca 0.00 -0.14 -0.18 0.00 0.02 0.00 0.00 56.10 55.80 1wpi s TRP 103 Cb 0.00 0.07 0.09 0.00 -1.15 0.00 0.00 33.47 32.48 1wpi s TRP 103 CO 0.00 -0.51 0.62 0.54 0.02 0.00 0.00 176.95 177.62 1wpi s ASN 104 N -2.21 6.19 0.00 2.95 4.22 -1.26 -4.57 114.94 120.26 1wpi s ASN 104 Ca -0.03 -1.28 0.22 0.00 -2.14 0.00 0.00 52.86 49.62 1wpi s ASN 104 Cb -0.00 -2.28 0.94 0.00 1.28 0.00 0.00 41.25 41.20 1wpi s ASN 104 CO -0.05 -0.96 1.70 -0.81 -2.04 0.00 0.00 177.10 174.94 1wpi n PRO 105 N 6.05 0.02 -1.81 3.55 -0.04 -1.26 -4.83 135.00 136.69 1wpi n PRO 105 Ca -0.09 0.12 -0.05 0.00 -0.04 0.00 0.00 63.50 63.44 1wpi n PRO 105 Cb 0.43 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.49 -1.62 -4.04 0.54 0.00 -0.99 -4.78 118.16 105.79 1wpi n LYS 106 Ca 0.06 0.02 -0.29 0.00 -0.00 0.00 0.00 58.31 58.09 1wpi n LYS 106 Cb 0.25 -2.06 -0.06 0.00 -0.00 0.00 0.00 35.03 33.16 1wpi n LYS 106 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1wpi s GLU 107 N -2.69 2.96 -0.13 -1.58 0.41 -1.21 -4.87 118.70 111.60 1wpi s GLU 107 Ca 0.10 -0.72 0.00 0.00 -0.41 0.00 0.00 54.97 53.95 1wpi s GLU 107 Cb -0.06 -2.74 -0.01 0.00 -1.78 0.00 0.00 34.13 29.54 1wpi s GLU 107 CO 0.13 0.54 -0.15 0.00 -0.49 0.00 0.00 175.26 175.29 1wpi s ALA 108 N -1.52 2.55 -0.33 5.21 0.00 -1.26 -3.17 121.76 123.23 1wpi s ALA 108 Ca 0.30 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 51.25 1wpi s ALA 108 Cb -0.12 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.84 1wpi s ALA 108 CO 0.23 0.23 0.18 -0.51 0.00 0.00 0.00 175.76 175.90 1wpi s LEU 109 N 0.38 4.36 -0.13 0.00 1.43 -0.77 -0.73 118.68 123.22 1wpi s LEU 109 Ca -0.12 -0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 52.32 1wpi s LEU 109 Cb -0.16 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 1wpi s LEU 109 CO 0.06 -0.26 -0.06 -1.66 0.23 0.00 0.00 176.35 174.66 1wpi s TRP 110 N 1.62 2.97 -0.24 0.29 1.48 -0.77 0.17 118.94 124.46 1wpi s TRP 110 Ca 0.04 -0.30 -0.12 0.00 -1.06 0.00 0.00 56.10 54.66 1wpi s TRP 110 Cb -0.18 -1.89 0.08 0.00 -1.16 0.00 0.00 33.47 30.33 1wpi s TRP 110 CO 0.07 0.01 0.57 0.14 -4.06 0.00 0.00 176.95 173.67 1wpi s VAL 111 N 0.12 -0.24 -0.02 -0.66 -7.23 0.34 -0.76 120.40 111.96 1wpi s VAL 111 Ca -0.02 0.05 -0.00 0.00 -1.81 0.00 0.00 61.98 60.20 1wpi s VAL 111 Cb -0.14 -0.84 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 1wpi s VAL 111 CO 0.03 0.02 0.04 -1.81 -0.31 0.00 0.00 175.10 173.07 1wpi s ASP 112 N 1.88 5.43 0.00 4.85 1.11 0.85 0.14 116.67 130.94 1wpi s ASP 112 Ca -0.08 0.10 0.04 0.00 0.18 0.00 0.00 52.55 52.78 1wpi s ASP 112 Cb -0.08 -1.51 0.07 0.00 1.07 0.00 0.00 42.92 42.47 1wpi s ASP 112 CO -0.17 0.29 0.85 1.87 1.18 0.00 0.00 175.17 179.19 1wpi n TRP 113 N 1.41 0.08 -0.05 4.23 -0.00 -1.24 -1.69 117.44 120.17 1wpi n TRP 113 Ca -0.15 -0.24 -0.22 0.00 -0.00 0.00 0.00 57.50 56.89 1wpi n TRP 113 Cb 0.53 -0.02 -0.13 0.00 -0.00 0.00 0.00 31.31 31.69 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 0.04 0.67 -0.30 5.87 -0.58 -1.26 -4.32 120.64 120.76 1wpi n GLU 114 Ca 0.03 0.40 0.09 0.00 -0.42 0.00 0.00 57.16 57.26 1wpi n GLU 114 Cb 0.20 -1.71 0.21 0.00 -0.57 0.00 0.00 31.44 29.57 1wpi n GLU 114 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1wpi n ASN 115 N -3.92 3.30 -3.77 1.62 3.02 -1.26 -4.85 115.26 109.39 1wpi n ASN 115 Ca -0.33 -2.97 -0.23 0.00 -0.03 0.00 0.00 54.58 51.03 1wpi n ASN 115 Cb 0.88 -0.48 0.02 0.00 -0.61 0.00 0.00 39.78 39.59 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 -0.76 -4.38 -4.39 3.52 0.00 -1.25 -4.96 118.16 105.93 1wpi n LYS 116 Ca 0.19 0.56 -0.33 0.00 -0.00 0.00 0.00 58.31 58.72 1wpi n LYS 116 Cb 0.77 -4.98 -0.10 0.00 -0.00 0.00 0.00 35.03 30.73 1wpi n LYS 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1wpi s LEU 117 N -6.75 3.42 -0.09 -5.58 1.43 -0.68 -4.97 118.68 105.45 1wpi s LEU 117 Ca 0.01 0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 52.98 1wpi s LEU 117 Cb -0.00 -1.88 0.03 0.00 0.03 0.00 0.00 46.19 44.37 1wpi s LEU 117 CO 0.83 0.32 0.35 -0.69 0.23 0.00 0.00 176.35 177.39 1wpi s VAL 118 N -0.97 0.02 -0.30 -1.59 1.01 -1.26 0.29 120.40 117.60 1wpi s VAL 118 Ca 0.16 -0.16 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 1wpi s VAL 118 Cb -0.11 -0.55 0.21 0.00 0.00 0.00 0.00 36.38 35.92 1wpi s VAL 118 CO 0.06 -0.09 1.25 -0.83 0.00 0.00 0.00 175.10 175.49 1wpi s GLY 119 N -0.34 0.56 0.77 4.51 0.00 0.06 -4.98 107.32 107.91 1wpi s GLY 119 Ca -0.05 3.79 -0.06 0.00 0.00 0.00 0.00 44.72 48.41 1wpi s GLY 119 CO 0.02 2.84 1.07 0.54 0.00 0.00 0.00 173.10 177.57 1wpi s ASN 120 N 1.19 4.18 0.00 1.64 4.22 -1.26 -1.85 114.94 123.06 1wpi s ASN 120 Ca -0.07 -0.03 0.00 0.00 -2.14 0.00 0.00 52.86 50.62 1wpi s ASN 120 Cb -0.02 -0.35 0.00 0.00 1.28 0.00 0.00 41.25 42.16 1wpi s ASN 120 CO -0.11 -1.99 0.00 1.21 -2.04 0.00 0.00 177.10 174.17 1wpi n GLU 121 N -3.06 0.00 0.01 3.55 0.00 0.09 -4.36 120.64 116.88 1wpi n GLU 121 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 57.11 1wpi n GLU 121 Cb 0.60 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.95 1wpi n GLU 121 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 1wpi h PRO 122 N 0.00 0.66 0.00 5.31 0.13 -1.91 -3.11 132.00 133.08 1wpi h PRO 122 Ca 0.00 -0.65 -0.04 0.00 -0.87 0.00 0.00 66.00 64.44 1wpi h PRO 122 Cb 0.00 0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.29 1wpi h PRO 122 CO 0.00 1.25 -0.19 0.00 -0.23 0.00 0.00 178.00 178.83 1wpi h ALA 123 N 0.43 1.58 -0.71 -0.56 0.00 -1.91 -1.65 119.26 116.44 1wpi h ALA 123 Ca -0.09 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1wpi h ALA 123 Cb 1.50 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 1wpi h ALA 123 CO 0.17 0.24 0.30 0.22 0.00 0.00 0.00 179.25 180.17 1wpi h ASP 124 N 0.00 0.95 -0.11 0.00 3.58 -1.74 -2.77 116.42 116.34 1wpi h ASP 124 Ca -0.00 -0.13 0.03 0.00 0.42 0.00 0.00 57.03 57.35 1wpi h ASP 124 Cb 0.36 -0.25 -0.06 0.00 1.72 0.00 0.00 39.33 41.10 1wpi h ASP 124 CO 0.02 0.84 -0.49 0.40 -2.88 0.00 0.00 179.24 177.13 1wpi h ILE 125 N 1.02 0.06 -0.39 2.25 2.04 -1.28 0.52 117.51 121.73 1wpi h ILE 125 Ca 0.24 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.18 1wpi h ILE 125 Cb 0.18 0.06 -0.09 0.00 -0.74 0.00 0.00 36.82 36.22 1wpi h ILE 125 CO -0.02 0.00 -0.31 -0.78 0.00 0.00 0.00 178.15 177.03 1wpi h ASP 126 N -0.57 -1.04 -0.48 1.72 3.58 -1.56 1.64 116.42 119.70 1wpi h ASP 126 Ca 0.05 0.19 0.10 0.00 0.42 0.00 0.00 57.03 57.78 1wpi h ASP 126 Cb 0.67 0.49 -0.09 0.00 1.72 0.00 0.00 39.33 42.12 1wpi h ASP 126 CO -0.41 -0.31 -0.09 0.11 -2.88 0.00 0.00 179.24 175.66 1wpi h LYS 127 N -0.24 0.03 0.00 0.28 1.79 -0.99 -3.30 116.57 114.14 1wpi h LYS 127 Ca 0.17 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1wpi h LYS 127 Cb 0.53 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1wpi h LYS 127 CO -0.53 0.02 0.00 0.66 -1.08 0.00 0.00 179.45 178.52 1wpi n TYR 128 N -5.32 0.00 -3.69 -1.35 4.01 0.17 -4.56 117.16 106.43 1wpi n TYR 128 Ca 0.04 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.40 1wpi n TYR 128 Cb 0.26 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.19 1wpi n TYR 128 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1wpi s ILE 129 N 0.03 3.70 0.00 -0.72 -0.00 0.54 -3.81 121.20 120.93 1wpi s ILE 129 Ca 0.00 -2.14 0.00 0.00 -0.00 0.00 0.00 60.65 58.51 1wpi s ILE 129 Cb 0.00 -3.47 0.00 0.00 -0.00 0.00 0.00 42.46 38.99 1wpi s ILE 129 CO 0.00 -0.76 0.00 2.30 -0.00 0.00 0.00 174.94 176.48 1wpi n ILE 130 N 4.49 0.00 -0.18 8.37 -0.00 -0.73 -4.10 119.36 127.21 1wpi n ILE 130 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 62.75 62.71 1wpi n ILE 130 Cb 0.41 -1.52 0.04 0.00 -0.00 0.00 0.00 39.64 38.57 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 -0.05 -0.23 6.28 -0.00 -1.85 0.82 115.11 120.09 1wpi h GLN 131 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 58.65 58.72 1wpi h GLN 131 Cb 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 27.48 1wpi h GLN 131 CO 0.00 -0.03 0.74 0.07 -0.00 0.00 0.00 178.83 179.61 1wpi h ARG 132 N -0.05 0.00 0.00 0.06 0.11 -1.89 -3.47 114.38 109.15 1wpi h ARG 132 Ca 0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.34 1wpi h ARG 132 Cb 0.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.53 1wpi h ARG 132 CO -0.59 0.00 0.00 0.36 0.10 0.00 0.00 179.97 179.84