#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwl s SER 3 N 0.00 1.28 0.00 0.55 0.01 -1.26 -5.03 113.70 109.25 2wwl s SER 3 Ca 0.00 -1.04 0.01 0.00 1.31 0.00 0.00 55.95 56.23 2wwl s SER 3 Cb 0.00 0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.32 2wwl s SER 3 CO 0.00 -0.46 0.55 0.18 0.41 0.00 0.00 173.24 173.92 2wwl n LEU 4 N -0.11 1.11 0.00 2.44 4.32 -1.26 -5.11 117.00 118.39 2wwl n LEU 4 Ca -0.11 -1.05 0.00 0.00 -0.02 0.00 0.00 56.01 54.83 2wwl n LEU 4 Cb 0.61 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.41 2wwl n LEU 4 CO 0.31 0.27 0.00 1.17 -1.22 0.00 0.00 177.39 177.92 2wwl n LYS 5 N 0.02 0.00 -0.06 3.23 4.81 -1.26 -3.51 118.16 121.39 2wwl n LYS 5 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2wwl n LYS 5 Cb 0.03 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.08 2wwl n LYS 5 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2wwl n LYS 6 N 13.59 0.00 -3.13 1.64 2.85 -1.26 -4.87 118.16 126.97 2wwl n LYS 6 Ca 0.00 -0.56 -0.38 0.00 -1.05 0.00 0.00 58.31 56.33 2wwl n LYS 6 Cb 0.00 -0.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.86 2wwl n LYS 6 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2wwl n GLY 7 N 0.00 5.10 3.77 2.58 0.00 -1.23 -5.10 105.19 110.31 2wwl n GLY 7 Ca 0.00 -2.71 -0.38 0.00 0.00 0.00 0.00 46.02 42.94 2wwl n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wwl s PRO 8 N -2.76 4.12 -0.18 1.61 0.04 -1.25 -4.97 135.00 131.62 2wwl s PRO 8 Ca 0.34 1.75 -0.26 0.00 0.04 0.00 0.00 61.00 62.87 2wwl s PRO 8 Cb 0.09 -2.67 -0.01 0.00 0.04 0.00 0.00 34.50 31.95 2wwl s PRO 8 CO 0.06 -0.24 0.87 0.12 0.04 0.00 0.00 177.00 177.85 2wwl s PHE 9 N -1.46 3.41 0.11 0.56 2.19 -1.25 -4.89 117.98 116.65 2wwl s PHE 9 Ca 0.56 1.30 -0.10 0.00 0.33 0.00 0.00 56.93 59.02 2wwl s PHE 9 Cb -0.28 -3.06 -0.14 0.00 -1.31 0.00 0.00 43.02 38.23 2wwl s PHE 9 CO 0.36 -0.28 1.29 0.82 1.83 0.00 0.00 175.22 179.24 2wwl h ILE 10 N 5.23 1.31 -0.53 3.12 1.08 -1.84 -3.18 117.51 122.70 2wwl h ILE 10 Ca -0.28 -2.17 0.00 0.00 -0.39 0.00 0.00 64.86 62.03 2wwl h ILE 10 Cb 1.12 2.20 0.00 0.00 -3.07 0.00 0.00 36.82 37.07 2wwl h ILE 10 CO 0.86 0.67 -0.13 0.47 -0.69 0.00 0.00 178.15 179.32 2wwl n ASP 11 N -3.86 -1.66 0.04 1.72 9.92 -1.26 -3.99 116.55 117.45 2wwl n ASP 11 Ca -0.08 0.22 0.07 0.00 -0.53 0.00 0.00 54.79 54.47 2wwl n ASP 11 Cb 0.80 0.15 -0.08 0.00 -0.64 0.00 0.00 41.12 41.36 2wwl n ASP 11 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2wwl n LEU 12 N -1.30 0.55 -0.70 0.64 7.94 -1.26 -2.99 117.00 119.88 2wwl n LEU 12 Ca 0.00 0.22 0.11 0.00 -1.11 0.00 0.00 56.01 55.23 2wwl n LEU 12 Cb 0.03 0.03 0.33 0.00 0.53 0.00 0.00 43.42 44.33 2wwl n LEU 12 CO 0.00 -0.01 0.75 1.41 -1.11 0.00 0.00 177.39 178.43 2wwl n HIS 13 N -2.61 0.28 -0.06 1.96 8.25 -1.26 -2.89 115.22 118.88 2wwl n HIS 13 Ca -0.06 -0.14 -0.06 0.00 -0.26 0.00 0.00 57.72 57.20 2wwl n HIS 13 Cb 0.66 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.67 2wwl n HIS 13 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2wwl n LEU 14 N 0.61 0.00 -0.27 2.41 7.99 -1.25 -4.53 117.00 121.96 2wwl n LEU 14 Ca 0.17 0.00 0.08 0.00 -0.01 0.00 0.00 56.01 56.24 2wwl n LEU 14 Cb 0.39 0.32 0.22 0.00 -0.11 0.00 0.00 43.42 44.24 2wwl n LEU 14 CO 0.13 0.32 0.99 0.25 -1.51 0.00 0.00 177.39 177.57 2wwl h LEU 15 N 0.00 0.17 -1.50 2.23 5.85 -1.45 0.65 115.31 121.26 2wwl h LEU 15 Ca -0.35 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 2wwl h LEU 15 Cb 1.81 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.98 2wwl h LEU 15 CO 0.02 0.01 -0.19 0.07 -0.34 0.00 0.00 178.44 178.01 2wwl h LYS 16 N 0.36 0.09 0.01 1.25 2.10 -1.78 -2.51 116.57 116.09 2wwl h LYS 16 Ca 0.46 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 59.06 2wwl h LYS 16 Cb 0.78 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.10 2wwl h LYS 16 CO -0.49 0.28 -0.10 0.87 -2.00 0.00 0.00 179.45 178.01 2wwl h LYS 17 N 0.08 0.05 -0.91 0.07 1.79 -1.34 -3.11 116.57 113.21 2wwl h LYS 17 Ca 0.02 -0.07 0.12 0.00 -2.18 0.00 0.00 60.65 58.54 2wwl h LYS 17 Cb 0.39 0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 30.98 2wwl h LYS 17 CO 0.03 0.91 0.53 -0.24 -1.08 0.00 0.00 179.45 179.60 2wwl h VAL 18 N -0.77 0.87 0.00 0.50 3.04 -0.70 -0.51 116.25 118.68 2wwl h VAL 18 Ca -0.01 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 2wwl h VAL 18 Cb 0.95 -0.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.19 2wwl h VAL 18 CO 0.02 0.15 0.00 1.21 -1.01 0.00 0.00 177.57 177.94 2wwl n GLU 19 N -4.72 0.00 -0.59 4.17 4.07 -0.97 -1.09 120.64 121.52 2wwl n GLU 19 Ca 0.17 0.25 0.06 0.00 -0.06 0.00 0.00 57.16 57.58 2wwl n GLU 19 Cb 0.35 -1.50 0.21 0.00 -0.06 0.00 0.00 31.44 30.43 2wwl n GLU 19 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2wwl n LYS 20 N -1.50 1.59 -0.44 5.31 5.02 -0.29 -4.52 118.16 123.34 2wwl n LYS 20 Ca 0.03 -3.28 0.00 0.00 -2.02 0.00 0.00 58.31 53.04 2wwl n LYS 20 Cb 0.16 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 2wwl n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wwl n ALA 21 N -1.13 1.87 -1.39 7.82 0.00 -0.25 -4.73 120.51 122.70 2wwl n ALA 21 Ca 0.19 -0.29 0.07 0.00 0.00 0.00 0.00 53.44 53.41 2wwl n ALA 21 Cb 0.70 -0.14 0.19 0.00 0.00 0.00 0.00 19.45 20.20 2wwl n ALA 21 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2wwl n VAL 22 N 0.00 2.14 -1.65 0.00 0.24 -0.92 -4.22 118.33 113.92 2wwl n VAL 22 Ca 0.00 -2.84 0.00 0.00 -2.04 0.00 0.00 64.34 59.46 2wwl n VAL 22 Cb 0.55 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 2wwl n VAL 22 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2wwl n GLU 23 N -1.20 0.00 -3.74 7.34 0.00 -1.26 -5.11 120.64 116.67 2wwl n GLU 23 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.22 2wwl n GLU 23 Cb 0.71 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 32.06 2wwl n GLU 23 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2wwl s SER 24 N 0.00 -0.33 0.00 -1.84 0.01 -1.26 -5.14 113.70 105.15 2wwl s SER 24 Ca 0.00 0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.75 2wwl s SER 24 Cb 0.00 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.81 2wwl s SER 24 CO 0.00 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.97 2wwl n GLY 25 N 2.12 0.74 3.74 3.44 0.00 -1.26 -4.51 105.19 109.46 2wwl n GLY 25 Ca -0.17 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 2wwl n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wwl s ASP 26 N -1.00 7.01 0.00 1.61 -1.08 -1.26 -4.88 116.67 117.08 2wwl s ASP 26 Ca 0.00 2.29 0.00 0.00 -0.52 0.00 0.00 52.55 54.32 2wwl s ASP 26 Cb 0.00 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.85 2wwl s ASP 26 CO 0.00 -0.43 0.00 0.29 0.52 0.00 0.00 175.17 175.55 2wwl n LYS 27 N 2.61 0.00 -3.63 4.34 4.76 -1.26 -5.13 118.16 119.85 2wwl n LYS 27 Ca 0.05 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.45 2wwl n LYS 27 Cb 0.44 -0.15 -0.02 0.00 -1.84 0.00 0.00 35.03 33.47 2wwl n LYS 27 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2wwl s LYS 28 N 0.00 0.86 -0.42 1.97 -2.85 -1.26 -5.09 119.74 112.94 2wwl s LYS 28 Ca 0.00 -0.42 -0.20 0.00 -1.00 0.00 0.00 55.97 54.35 2wwl s LYS 28 Cb 0.00 0.33 0.02 0.00 -2.06 0.00 0.00 37.83 36.12 2wwl s LYS 28 CO 0.00 -0.39 0.63 -1.25 0.10 0.00 0.00 175.35 174.44 2wwl s PRO 29 N -3.01 3.34 -0.40 1.78 0.04 -1.26 -4.77 135.00 130.72 2wwl s PRO 29 Ca 0.10 -0.33 -0.28 0.00 0.04 0.00 0.00 61.00 60.53 2wwl s PRO 29 Cb -0.00 -3.93 -0.08 0.00 0.04 0.00 0.00 34.50 30.53 2wwl s PRO 29 CO -0.03 -0.95 2.34 1.28 0.04 0.00 0.00 177.00 179.67 2wwl n LEU 30 N 6.19 2.53 -4.56 -3.56 4.32 -0.94 -4.68 117.00 116.30 2wwl n LEU 30 Ca -0.02 -0.11 -0.21 0.00 -0.02 0.00 0.00 56.01 55.66 2wwl n LEU 30 Cb 0.48 -1.50 -0.06 0.00 -1.62 0.00 0.00 43.42 40.72 2wwl n LEU 30 CO 0.52 -1.11 1.39 -0.13 -1.22 0.00 0.00 177.39 176.85 2wwl s ARG 31 N 7.38 1.89 -0.13 3.23 1.81 -1.26 -1.86 118.95 130.01 2wwl s ARG 31 Ca 1.03 0.50 -0.00 0.00 -1.72 0.00 0.00 55.73 55.54 2wwl s ARG 31 Cb -0.37 -4.78 0.03 0.00 -0.45 0.00 0.00 34.95 29.37 2wwl s ARG 31 CO 0.33 -3.99 -0.07 0.99 -0.68 0.00 0.00 175.30 171.88 2wwl s THR 32 N 13.29 1.08 -0.19 0.02 2.01 -1.01 -5.00 115.64 125.84 2wwl s THR 32 Ca 0.88 -0.43 0.17 0.00 0.31 0.00 0.00 61.69 62.63 2wwl s THR 32 Cb -0.12 -1.15 0.02 0.00 0.01 0.00 0.00 72.50 71.26 2wwl s THR 32 CO 0.10 0.29 1.23 -0.50 -0.69 0.00 0.00 174.62 175.04 2wwl h TRP 33 N 8.15 0.00 -2.53 4.92 6.55 -1.91 -2.22 115.95 128.90 2wwl h TRP 33 Ca -0.28 0.00 -0.53 0.00 0.95 0.00 0.00 58.89 59.03 2wwl h TRP 33 Cb 1.12 0.00 0.02 0.00 -0.86 0.00 0.00 29.16 29.44 2wwl h TRP 33 CO 0.46 0.42 1.12 -1.12 -1.05 0.00 0.00 178.44 178.27 2wwl s SER 34 N -6.10 6.52 -0.01 -3.49 0.01 -1.26 -4.30 113.70 105.07 2wwl s SER 34 Ca 0.02 2.56 0.13 0.00 1.31 0.00 0.00 55.95 59.97 2wwl s SER 34 Cb 0.08 -2.55 -0.19 0.00 0.21 0.00 0.00 66.02 63.57 2wwl s SER 34 CO 0.76 -0.98 0.34 0.54 0.41 0.00 0.00 173.24 174.32 2wwl n ARG 35 N 6.53 0.88 -0.36 12.44 1.74 -1.26 -4.62 116.66 132.00 2wwl n ARG 35 Ca 0.18 -0.10 0.10 0.00 -0.77 0.00 0.00 57.85 57.26 2wwl n ARG 35 Cb 0.41 -1.27 0.29 0.00 -1.02 0.00 0.00 32.46 30.86 2wwl n ARG 35 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wwl n ARG 36 N -1.83 2.90 -0.55 5.56 1.74 -1.26 -2.55 116.66 120.67 2wwl n ARG 36 Ca -0.01 -2.57 -0.29 0.00 -0.77 0.00 0.00 57.85 54.21 2wwl n ARG 36 Cb 0.31 -1.55 0.26 0.00 -1.02 0.00 0.00 32.46 30.46 2wwl n ARG 36 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2wwl s SER 37 N -1.01 0.53 -0.34 0.55 1.04 -1.25 -3.77 113.70 109.46 2wwl s SER 37 Ca 0.44 1.31 -0.01 0.00 0.48 0.00 0.00 55.95 58.17 2wwl s SER 37 Cb 0.24 -2.01 0.19 0.00 0.10 0.00 0.00 66.02 64.53 2wwl s SER 37 CO 0.28 -4.45 0.81 0.42 0.98 0.00 0.00 173.24 171.28 2wwl s THR 38 N -2.46 -0.66 0.32 2.02 -4.23 -1.20 -3.25 115.64 106.18 2wwl s THR 38 Ca 0.68 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 61.10 2wwl s THR 38 Cb -0.22 -0.30 -0.07 0.00 1.34 0.00 0.00 72.50 73.25 2wwl s THR 38 CO 0.63 0.00 0.65 0.27 -0.54 0.00 0.00 174.62 175.63 2wwl s ILE 39 N 2.36 4.86 0.39 2.99 -4.36 -1.26 -4.70 121.20 121.48 2wwl s ILE 39 Ca 0.17 0.50 -0.26 0.00 -0.26 0.00 0.00 60.65 60.80 2wwl s ILE 39 Cb -0.03 -3.68 -0.09 0.00 1.25 0.00 0.00 42.46 39.91 2wwl s ILE 39 CO -0.17 -0.30 1.18 0.12 0.24 0.00 0.00 174.94 176.01 2wwl s PHE 40 N -2.09 3.10 0.45 1.37 2.19 -1.26 -4.89 117.98 116.85 2wwl s PHE 40 Ca 0.49 1.55 0.38 0.00 0.33 0.00 0.00 56.93 59.68 2wwl s PHE 40 Cb -0.11 -3.41 1.44 0.00 -1.31 0.00 0.00 43.02 39.63 2wwl s PHE 40 CO 0.26 -1.32 1.36 -2.30 1.83 0.00 0.00 175.22 175.05 2wwl n PRO 41 N 0.20 -0.01 -0.10 10.12 -0.02 -1.26 -1.46 135.00 142.47 2wwl n PRO 41 Ca 0.04 1.00 -0.05 0.00 -2.02 0.00 0.00 63.50 62.46 2wwl n PRO 41 Cb 0.46 -2.17 0.14 0.00 -0.02 0.00 0.00 33.50 31.90 2wwl n PRO 41 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2wwl h ASN 42 N 0.00 0.76 0.97 2.55 -1.24 -1.97 0.50 115.58 117.16 2wwl h ASN 42 Ca 0.80 -0.21 0.00 0.00 0.71 0.00 0.00 56.30 57.60 2wwl h ASN 42 Cb 3.00 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 41.84 2wwl h ASN 42 CO -0.16 0.87 -0.15 0.23 -1.29 0.00 0.00 177.43 176.94 2wwl n MET 43 N -4.18 0.07 -2.58 6.67 2.81 -0.53 -4.78 117.12 114.59 2wwl n MET 43 Ca 0.02 0.04 -0.36 0.00 -1.81 0.00 0.00 57.70 55.59 2wwl n MET 43 Cb 0.34 -1.57 -0.04 0.00 -0.71 0.00 0.00 33.22 31.24 2wwl n MET 43 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2wwl s ILE 44 N -3.03 3.81 0.00 2.02 1.01 0.17 -3.67 121.20 121.50 2wwl s ILE 44 Ca 0.12 1.38 0.00 0.00 0.00 0.00 0.00 60.65 62.15 2wwl s ILE 44 Cb 0.17 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.93 2wwl s ILE 44 CO 0.59 0.00 0.00 0.61 0.00 0.00 0.00 174.94 176.15 2wwl n GLY 45 N 0.31 1.04 3.16 6.18 0.00 -1.26 -4.96 105.19 109.65 2wwl n GLY 45 Ca 0.05 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 2wwl n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wwl s LEU 46 N -0.16 1.98 -0.98 0.99 1.43 -1.24 -4.85 118.68 115.84 2wwl s LEU 46 Ca 0.00 -1.16 -0.15 0.00 -1.03 0.00 0.00 54.13 51.79 2wwl s LEU 46 Cb 0.00 0.20 0.19 0.00 0.03 0.00 0.00 46.19 46.61 2wwl s LEU 46 CO 0.00 -0.67 1.08 0.42 0.23 0.00 0.00 176.35 177.41 2wwl s THR 47 N -3.94 5.23 -0.40 5.49 -4.23 -1.26 -3.10 115.64 113.42 2wwl s THR 47 Ca 0.21 -2.31 -0.26 0.00 -1.18 0.00 0.00 61.69 58.15 2wwl s THR 47 Cb 0.07 -4.69 0.02 0.00 1.34 0.00 0.00 72.50 69.24 2wwl s THR 47 CO 0.00 -1.35 0.95 -0.63 -0.54 0.00 0.00 174.62 173.05 2wwl s ILE 48 N 1.18 4.51 -1.26 2.99 -1.09 -0.84 -2.21 121.20 124.48 2wwl s ILE 48 Ca 0.30 1.07 -0.15 0.00 -2.23 0.00 0.00 60.65 59.65 2wwl s ILE 48 Cb -0.07 -4.39 0.13 0.00 -1.58 0.00 0.00 42.46 36.56 2wwl s ILE 48 CO -0.07 -0.67 1.61 0.00 -1.23 0.00 0.00 174.94 174.58 2wwl n ALA 49 N 6.99 3.96 -1.77 9.38 0.00 -0.78 -1.22 120.51 137.08 2wwl n ALA 49 Ca 0.07 -4.11 -0.37 0.00 0.00 0.00 0.00 53.44 49.03 2wwl n ALA 49 Cb 0.48 -3.25 -0.01 0.00 0.00 0.00 0.00 19.45 16.67 2wwl n ALA 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2wwl s VAL 50 N 2.41 3.08 0.16 0.00 -7.23 -1.12 -2.39 120.40 115.31 2wwl s VAL 50 Ca 0.46 0.84 -0.30 0.00 -1.81 0.00 0.00 61.98 61.17 2wwl s VAL 50 Cb 0.01 -3.44 -0.07 0.00 0.56 0.00 0.00 36.38 33.44 2wwl s VAL 50 CO 0.02 0.01 0.95 -2.28 -0.31 0.00 0.00 175.10 173.50 2wwl s HIS 51 N -1.50 3.88 -0.20 2.82 2.46 -0.84 -1.62 115.29 120.29 2wwl s HIS 51 Ca 0.62 1.84 0.12 0.00 0.47 0.00 0.00 55.06 58.11 2wwl s HIS 51 Cb -0.30 -3.02 0.42 0.00 -0.13 0.00 0.00 32.58 29.55 2wwl s HIS 51 CO 0.36 0.31 1.22 0.27 -2.47 0.00 0.00 174.74 174.43 2wwl n ASN 52 N 2.28 1.69 0.00 9.88 2.04 -1.14 -4.91 115.26 125.10 2wwl n ASN 52 Ca 0.01 -3.84 0.00 0.00 -0.44 0.00 0.00 54.58 50.31 2wwl n ASN 52 Cb 0.48 -0.52 0.00 0.00 -2.53 0.00 0.00 39.78 37.21 2wwl n ASN 52 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2wwl n GLY 53 N -1.07 1.17 1.77 4.83 0.00 -1.26 -4.69 105.19 105.94 2wwl n GLY 53 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2wwl n GLY 53 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wwl n ARG 54 N -2.00 0.00 -4.12 1.61 0.63 -1.26 -5.12 116.66 106.40 2wwl n ARG 54 Ca 0.00 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.83 2wwl n ARG 54 Cb 0.00 -0.05 -0.09 0.00 0.45 0.00 0.00 32.46 32.76 2wwl n ARG 54 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 2wwl s GLN 55 N -1.45 1.02 0.75 -0.14 0.00 -1.26 -5.17 119.66 113.41 2wwl s GLN 55 Ca 0.00 -1.41 -0.11 0.00 -0.00 0.00 0.00 55.36 53.84 2wwl s GLN 55 Cb 0.00 0.27 0.04 0.00 0.00 0.00 0.00 33.01 33.33 2wwl s GLN 55 CO 0.00 -0.31 1.08 -1.01 0.00 0.00 0.00 175.29 175.04 2wwl s HIS 56 N -4.05 2.89 -0.03 9.60 3.76 -1.26 -2.88 115.29 123.32 2wwl s HIS 56 Ca 0.25 1.35 0.00 0.00 -0.15 0.00 0.00 55.06 56.51 2wwl s HIS 56 Cb 0.07 -3.00 0.03 0.00 1.11 0.00 0.00 32.58 30.78 2wwl s HIS 56 CO 0.03 -1.57 0.00 0.54 -0.85 0.00 0.00 174.74 172.90 2wwl s VAL 57 N -3.05 0.17 0.41 -0.90 0.11 -0.64 -4.90 120.40 111.60 2wwl s VAL 57 Ca 0.60 0.11 -0.25 0.00 -2.93 0.00 0.00 61.98 59.51 2wwl s VAL 57 Cb -0.15 -0.29 -0.08 0.00 -1.53 0.00 0.00 36.38 34.33 2wwl s VAL 57 CO 0.55 0.16 1.19 -2.16 -3.33 0.00 0.00 175.10 171.50 2wwl s PRO 58 N 1.18 4.02 -0.13 1.54 0.04 -1.26 -2.80 135.00 137.59 2wwl s PRO 58 Ca -0.08 1.87 -0.01 0.00 0.04 0.00 0.00 61.00 62.83 2wwl s PRO 58 Cb -0.13 -2.66 0.04 0.00 0.04 0.00 0.00 34.50 31.78 2wwl s PRO 58 CO -0.02 -0.36 -0.03 0.08 0.04 0.00 0.00 177.00 176.71 2wwl s VAL 59 N -1.40 0.82 -1.34 -0.36 1.01 -0.36 -4.89 120.40 113.87 2wwl s VAL 59 Ca 0.58 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 62.07 2wwl s VAL 59 Cb -0.31 -0.99 -0.00 0.00 0.00 0.00 0.00 36.38 35.07 2wwl s VAL 59 CO 0.40 0.18 2.21 0.33 0.00 0.00 0.00 175.10 178.22 2wwl n PHE 60 N 4.99 3.18 -1.24 5.22 -0.00 -1.26 -1.98 117.46 126.36 2wwl n PHE 60 Ca -0.10 -2.77 -0.40 0.00 -0.00 0.00 0.00 57.45 54.17 2wwl n PHE 60 Cb 0.49 -2.40 -0.00 0.00 -0.00 0.00 0.00 39.48 37.56 2wwl n PHE 60 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 2wwl n VAL 61 N 5.17 0.62 -4.45 -2.13 0.24 -1.18 -4.95 118.33 111.65 2wwl n VAL 61 Ca 0.53 -0.48 -0.23 0.00 -2.04 0.00 0.00 64.34 62.12 2wwl n VAL 61 Cb 0.38 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.67 2wwl n VAL 61 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2wwl s THR 62 N -1.60 0.57 -0.03 3.34 2.01 -1.26 -4.20 115.64 114.47 2wwl s THR 62 Ca 0.57 -2.00 0.24 0.00 0.31 0.00 0.00 61.69 60.80 2wwl s THR 62 Cb -0.61 -2.44 0.25 0.00 0.01 0.00 0.00 72.50 69.71 2wwl s THR 62 CO 0.60 0.00 1.75 0.44 -0.69 0.00 0.00 174.62 176.71 2wwl h ASP 63 N 1.94 0.00 0.06 3.53 3.32 -1.99 -2.91 116.42 120.38 2wwl h ASP 63 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2wwl h ASP 63 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2wwl h ASP 63 CO 0.56 0.19 -0.07 -0.62 -1.72 0.00 0.00 179.24 177.58 2wwl n GLU 64 N -3.25 1.39 -0.88 3.56 -0.58 -1.26 -2.80 120.64 116.82 2wwl n GLU 64 Ca 0.01 -0.78 0.04 0.00 -0.42 0.00 0.00 57.16 56.01 2wwl n GLU 64 Cb 0.48 -1.48 0.36 0.00 -0.57 0.00 0.00 31.44 30.23 2wwl n GLU 64 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2wwl n MET 65 N -0.12 4.31 -1.09 3.49 2.81 -1.10 -4.05 117.12 121.37 2wwl n MET 65 Ca 0.17 -3.11 0.03 0.00 -1.81 0.00 0.00 57.70 52.98 2wwl n MET 65 Cb 0.34 -2.20 0.04 0.00 -0.71 0.00 0.00 33.22 30.69 2wwl n MET 65 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2wwl n VAL 66 N 0.24 0.29 0.67 2.03 0.24 -1.12 -4.51 118.33 116.17 2wwl n VAL 66 Ca 0.31 -1.00 0.13 0.00 -2.04 0.00 0.00 64.34 61.74 2wwl n VAL 66 Cb 1.21 0.70 0.38 0.00 -1.47 0.00 0.00 33.84 34.66 2wwl n VAL 66 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wwl n GLY 67 N 0.13 -1.61 3.76 7.63 0.00 -1.25 -4.81 105.19 109.03 2wwl n GLY 67 Ca 0.06 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 2wwl n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wwl s HIS 68 N -3.10 -0.18 1.03 1.61 3.76 -1.26 -5.06 115.29 112.09 2wwl s HIS 68 Ca 0.10 -0.24 -0.11 0.00 -0.15 0.00 0.00 55.06 54.66 2wwl s HIS 68 Cb 0.13 0.62 0.21 0.00 1.11 0.00 0.00 32.58 34.66 2wwl s HIS 68 CO 0.62 -1.15 1.10 1.63 -0.85 0.00 0.00 174.74 176.08 2wwl n LYS 69 N -0.44 -1.33 0.02 1.40 5.02 -1.26 -4.74 118.16 116.84 2wwl n LYS 69 Ca -0.06 -0.33 0.09 0.00 -2.02 0.00 0.00 58.31 55.99 2wwl n LYS 69 Cb 0.60 -2.29 -0.12 0.00 -0.02 0.00 0.00 35.03 33.20 2wwl n LYS 69 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wwl n LEU 70 N -4.58 0.27 -0.24 -0.35 4.32 -1.16 -4.29 117.00 110.97 2wwl n LEU 70 Ca 0.08 0.11 0.04 0.00 -0.02 0.00 0.00 56.01 56.22 2wwl n LEU 70 Cb 0.53 0.02 0.17 0.00 -1.62 0.00 0.00 43.42 42.52 2wwl n LEU 70 CO 0.52 -0.01 1.00 1.23 -1.22 0.00 0.00 177.39 178.92 2wwl h GLY 71 N 3.98 1.07 1.39 -0.72 0.00 -1.82 -2.62 103.07 104.35 2wwl h GLY 71 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2wwl h GLY 71 CO 0.00 -0.09 0.26 -2.09 0.00 0.00 0.00 176.54 174.62 2wwl h GLU 72 N 0.41 0.00 -0.39 4.80 4.81 -1.88 -1.74 114.58 120.59 2wwl h GLU 72 Ca 0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 2wwl h GLU 72 Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2wwl h GLU 72 CO -0.40 0.00 0.00 1.19 -0.73 0.00 0.00 179.01 179.07 2wwl n PHE 73 N -2.40 1.34 -3.88 0.92 3.01 -0.99 -4.52 117.46 110.94 2wwl n PHE 73 Ca -0.01 -0.81 -0.29 0.00 1.01 0.00 0.00 57.45 57.35 2wwl n PHE 73 Cb 0.29 -0.37 -0.16 0.00 -0.01 0.00 0.00 39.48 39.23 2wwl n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wwl s ALA 74 N -2.72 1.63 0.07 4.37 0.00 -0.66 -5.03 121.76 119.43 2wwl s ALA 74 Ca 0.46 -1.07 -0.36 0.00 0.00 0.00 0.00 51.96 50.99 2wwl s ALA 74 Cb 0.36 -1.29 -0.19 0.00 0.00 0.00 0.00 23.12 22.00 2wwl s ALA 74 CO 0.12 -1.08 0.97 -2.30 0.00 0.00 0.00 175.76 173.47 2wwl n PRO 75 N 4.81 0.20 -0.02 0.00 -0.02 -1.26 -4.92 135.00 133.79 2wwl n PRO 75 Ca -0.11 0.07 0.01 0.00 -2.02 0.00 0.00 63.50 61.44 2wwl n PRO 75 Cb 0.46 -1.47 0.02 0.00 -0.02 0.00 0.00 33.50 32.49 2wwl n PRO 75 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2wwl n THR 76 N 1.22 0.97 -3.72 3.45 -2.24 -1.26 -4.94 114.28 107.76 2wwl n THR 76 Ca 0.19 -0.99 -0.11 0.00 -2.27 0.00 0.00 64.05 60.88 2wwl n THR 76 Cb 0.15 0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 68.83 2wwl n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wwl s ARG 77 N -0.98 0.94 -0.03 -0.78 1.70 -1.26 -5.02 118.95 113.52 2wwl s ARG 77 Ca 0.02 -0.69 0.05 0.00 -0.47 0.00 0.00 55.73 54.65 2wwl s ARG 77 Cb 0.01 0.41 -0.01 0.00 -0.57 0.00 0.00 34.95 34.79 2wwl s ARG 77 CO 0.02 -0.34 -0.19 0.99 -1.08 0.00 0.00 175.30 174.70 2wwl s THR 78 N -3.40 1.54 0.01 4.99 2.01 -1.26 -5.14 115.64 114.39 2wwl s THR 78 Ca 0.01 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.22 2wwl s THR 78 Cb 0.02 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 2wwl s THR 78 CO -0.09 0.44 -0.01 -0.47 -0.69 0.00 0.00 174.62 173.80 2wwl s TYR 79 N -0.21 3.04 0.00 4.92 5.04 -1.26 -5.28 117.35 123.60 2wwl s TYR 79 Ca 0.01 0.05 0.00 0.00 -2.44 0.00 0.00 57.07 54.69 2wwl s TYR 79 Cb -0.10 -1.64 0.00 0.00 0.35 0.00 0.00 41.96 40.57 2wwl s TYR 79 CO 0.01 0.45 0.00 2.89 -1.34 0.00 0.00 175.55 177.56