#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwq n LYS 3 N 0.00 0.00 -5.10 0.00 2.85 -1.26 -5.11 118.16 109.53 2wwq n LYS 3 Ca 0.00 -0.83 -0.31 0.00 -1.05 0.00 0.00 58.31 56.12 2wwq n LYS 3 Cb 0.00 -0.46 -0.15 0.00 -0.65 0.00 0.00 35.03 33.78 2wwq n LYS 3 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2wwq s ILE 4 N 0.00 2.34 -2.08 0.58 -1.09 -1.26 -5.10 121.20 114.59 2wwq s ILE 4 Ca 0.00 -1.08 0.14 0.00 -2.23 0.00 0.00 60.65 57.47 2wwq s ILE 4 Cb 0.00 -1.86 0.35 0.00 -1.58 0.00 0.00 42.46 39.37 2wwq s ILE 4 CO 0.00 0.53 1.43 -1.14 -1.23 0.00 0.00 174.94 174.52 2wwq n ARG 6 N 2.23 1.38 0.00 2.79 3.00 -1.26 -4.91 116.66 119.88 2wwq n ARG 6 Ca -0.16 -0.58 0.00 0.00 -0.00 0.00 0.00 57.85 57.11 2wwq n ARG 6 Cb 0.51 -1.26 0.00 0.00 0.00 0.00 0.00 32.46 31.72 2wwq n ARG 6 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2wwq n ASP 8 N -0.14 0.00 -4.36 6.15 2.03 -1.23 -3.69 116.55 115.32 2wwq n ASP 8 Ca 0.11 0.00 -0.45 0.00 0.52 0.00 0.00 54.79 54.97 2wwq n ASP 8 Cb 0.18 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.54 2wwq n ASP 8 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2wwq s GLU 9 N -1.68 3.26 0.15 -0.67 0.41 -1.26 -1.92 118.70 116.98 2wwq s GLU 9 Ca 0.00 -1.76 0.04 0.00 -0.41 0.00 0.00 54.97 52.84 2wwq s GLU 9 Cb 0.00 -4.40 -0.04 0.00 -1.78 0.00 0.00 34.13 27.91 2wwq s GLU 9 CO 0.00 -1.46 0.16 0.14 -0.49 0.00 0.00 175.26 173.61 2wwq s VAL 10 N 1.80 4.72 -0.25 2.63 -7.23 -1.25 -0.56 120.40 120.26 2wwq s VAL 10 Ca 0.14 -0.92 0.07 0.00 -1.81 0.00 0.00 61.98 59.46 2wwq s VAL 10 Cb -0.19 -3.39 -0.08 0.00 0.56 0.00 0.00 36.38 33.28 2wwq s VAL 10 CO -0.01 -0.06 0.25 0.00 -0.31 0.00 0.00 175.10 174.97 2wwq n ILE 11 N -0.26 0.00 -1.24 -0.62 3.06 -0.67 -3.80 119.36 115.83 2wwq n ILE 11 Ca -0.08 -0.31 0.00 0.00 -2.50 0.00 0.00 62.75 59.86 2wwq n ILE 11 Cb 0.54 0.87 0.00 0.00 0.54 0.00 0.00 39.64 41.59 2wwq n ILE 11 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 2wwq n VAL 12 N -1.27 -7.31 -0.15 9.51 0.31 -1.00 -3.57 118.33 114.84 2wwq n VAL 12 Ca 0.01 1.68 -0.10 0.00 -0.01 0.00 0.00 64.34 65.92 2wwq n VAL 12 Cb 0.12 -3.60 -0.01 0.00 -0.91 0.00 0.00 33.84 29.44 2wwq n VAL 12 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2wwq h LEU 13 N 2.08 0.74-10.05 7.52 5.85 -1.46 -3.40 115.31 116.58 2wwq h LEU 13 Ca 0.00 -0.29 -0.48 0.00 0.84 0.00 0.00 57.88 57.95 2wwq h LEU 13 Cb 0.00 -0.20 0.04 0.00 0.37 0.00 0.00 40.66 40.87 2wwq h LEU 13 CO 0.00 0.84 0.41 0.28 -0.34 0.00 0.00 178.44 179.63 2wwq s THR 14 N -5.09 3.57 0.82 1.05 -1.32 -1.19 -4.83 115.64 108.64 2wwq s THR 14 Ca -0.13 1.03 -0.10 0.00 -1.21 0.00 0.00 61.69 61.28 2wwq s THR 14 Cb 0.11 -3.44 0.09 0.00 -1.51 0.00 0.00 72.50 67.74 2wwq s THR 14 CO 0.80 -0.16 1.11 -0.83 -2.21 0.00 0.00 174.62 173.33 2wwq s GLY 15 N -1.81 1.68 0.00 6.08 0.00 -1.26 -2.59 107.32 109.42 2wwq s GLY 15 Ca 0.67 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.77 2wwq s GLY 15 CO 0.24 0.76 0.00 0.28 0.00 0.00 0.00 173.10 174.38 2wwq n LYS 16 N -3.78 0.00 0.00 2.90 5.02 -1.26 -4.61 118.16 116.43 2wwq n LYS 16 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 2wwq n LYS 16 Cb 0.53 -0.69 0.00 0.00 -0.02 0.00 0.00 35.03 34.85 2wwq n LYS 16 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2wwq n ASP 17 N 0.00 0.00 -0.15 4.39 10.43 -1.22 -5.00 116.55 124.99 2wwq n ASP 17 Ca 0.00 -1.00 -0.09 0.00 2.57 0.00 0.00 54.79 56.27 2wwq n ASP 17 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 2wwq n ASP 17 CO 0.00 0.00 0.00 0.50 -1.07 0.00 0.00 177.20 176.63 2wwq h LYS 18 N 0.00 0.67 -0.31 -1.24 3.64 -1.71 -2.99 116.57 114.63 2wwq h LYS 18 Ca 0.00 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2wwq h LYS 18 Cb 0.77 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2wwq h LYS 18 CO 0.00 0.62 0.00 0.41 -2.27 0.00 0.00 179.45 178.21 2wwq n GLY 19 N -0.76 3.08 3.89 5.01 0.00 -1.26 -4.48 105.19 110.68 2wwq n GLY 19 Ca 0.01 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 2wwq n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwq s LYS 20 N -1.43 3.65 0.16 1.61 1.02 -1.13 -5.02 119.74 118.59 2wwq s LYS 20 Ca 0.27 -0.03 0.01 0.00 0.02 0.00 0.00 55.97 56.23 2wwq s LYS 20 Cb 0.17 -2.81 0.01 0.00 -0.52 0.00 0.00 37.83 34.67 2wwq s LYS 20 CO 0.13 0.44 0.07 0.54 -0.92 0.00 0.00 175.35 175.61 2wwq n ARG 21 N 0.04 1.42 0.00 1.68 1.74 -1.26 -4.27 116.66 116.02 2wwq n ARG 21 Ca -0.02 -1.05 0.00 0.00 -0.77 0.00 0.00 57.85 56.01 2wwq n ARG 21 Cb 0.52 0.19 0.00 0.00 -1.02 0.00 0.00 32.46 32.15 2wwq n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wwq n GLY 22 N 3.12 1.88 3.89 -0.13 0.00 -1.25 -4.86 105.19 107.84 2wwq n GLY 22 Ca -0.03 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 2wwq n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwq s LYS 23 N -1.98 3.73 -0.63 1.61 -0.14 -1.26 -3.77 119.74 117.30 2wwq s LYS 23 Ca 0.00 0.19 -0.11 0.00 -1.36 0.00 0.00 55.97 54.69 2wwq s LYS 23 Cb 0.00 -2.61 0.16 0.00 -1.68 0.00 0.00 37.83 33.70 2wwq s LYS 23 CO 0.00 0.22 0.53 0.08 -0.76 0.00 0.00 175.35 175.42 2wwq s VAL 24 N -2.02 4.82 0.18 3.17 1.01 -0.81 -2.77 120.40 123.98 2wwq s VAL 24 Ca 0.47 -2.12 -0.22 0.00 0.00 0.00 0.00 61.98 60.10 2wwq s VAL 24 Cb -0.11 -4.07 0.10 0.00 0.00 0.00 0.00 36.38 32.30 2wwq s VAL 24 CO 0.26 -0.90 1.58 0.50 0.00 0.00 0.00 175.10 176.55 2wwq h LYS 25 N 8.12 -0.18 -2.31 2.72 3.64 -1.46 -3.25 116.57 123.84 2wwq h LYS 25 Ca -0.10 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.22 2wwq h LYS 25 Cb 1.05 0.04 -0.20 0.00 -0.41 0.00 0.00 32.23 32.71 2wwq h LYS 25 CO 0.84 -0.12 0.04 0.54 -2.27 0.00 0.00 179.45 178.48 2wwq s ASN 26 N -5.16 -0.53 -0.12 4.20 2.20 -1.26 -4.71 114.94 109.56 2wwq s ASN 26 Ca -0.14 0.62 -0.03 0.00 -0.94 0.00 0.00 52.86 52.37 2wwq s ASN 26 Cb 0.15 0.58 -0.03 0.00 -2.00 0.00 0.00 41.25 39.95 2wwq s ASN 26 CO 0.68 -0.51 0.00 -0.69 -2.94 0.00 0.00 177.10 173.65 2wwq s VAL 27 N -1.01 4.30 0.12 3.54 1.01 -1.26 -2.23 120.40 124.87 2wwq s VAL 27 Ca -0.10 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.68 2wwq s VAL 27 Cb -0.02 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 2wwq s VAL 27 CO 0.07 0.55 0.15 -0.76 0.00 0.00 0.00 175.10 175.12 2wwq s LEU 28 N -0.32 3.99 0.43 3.92 1.43 0.28 -4.98 118.68 123.43 2wwq s LEU 28 Ca 0.07 0.03 0.21 0.00 -1.03 0.00 0.00 54.13 53.41 2wwq s LEU 28 Cb -0.12 -2.61 0.96 0.00 0.03 0.00 0.00 46.19 44.45 2wwq s LEU 28 CO 0.02 0.12 1.87 0.28 0.23 0.00 0.00 176.35 178.87 2wwq h SER 29 N 2.77 0.00 -0.42 2.29 0.02 -1.99 -3.15 113.55 113.07 2wwq h SER 29 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2wwq h SER 29 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2wwq h SER 29 CO 0.67 0.27 0.00 -1.54 -1.14 0.00 0.00 176.83 175.09 2wwq n SER 30 N -3.64 3.75 0.00 3.07 3.41 -1.26 -4.76 113.62 114.18 2wwq n SER 30 Ca -0.01 -2.45 0.00 0.00 -0.26 0.00 0.00 58.87 56.15 2wwq n SER 30 Cb 0.39 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 2wwq n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wwq n GLY 31 N 0.66 0.95 3.59 5.00 0.00 -1.20 -5.09 105.19 109.11 2wwq n GLY 31 Ca 0.18 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 2wwq n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwq s LYS 32 N -2.18 2.01 0.34 1.61 1.02 -1.21 -2.65 119.74 118.69 2wwq s LYS 32 Ca 0.00 -1.73 0.06 0.00 0.02 0.00 0.00 55.97 54.32 2wwq s LYS 32 Cb 0.00 -1.91 -0.03 0.00 -0.52 0.00 0.00 37.83 35.37 2wwq s LYS 32 CO 0.00 0.20 0.23 0.14 -0.92 0.00 0.00 175.35 175.01 2wwq s VAL 33 N -2.50 0.13 -0.21 3.17 -7.23 -0.46 -0.55 120.40 112.74 2wwq s VAL 33 Ca 0.33 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.51 2wwq s VAL 33 Cb -0.02 -2.46 0.03 0.00 0.56 0.00 0.00 36.38 34.50 2wwq s VAL 33 CO 0.18 0.00 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.19 2wwq s ILE 34 N -3.44 2.22 -0.01 -0.62 -1.09 -0.94 -2.18 121.20 115.14 2wwq s ILE 34 Ca 0.37 -1.17 0.00 0.00 -2.23 0.00 0.00 60.65 57.62 2wwq s ILE 34 Cb 0.03 -2.08 -0.04 0.00 -1.58 0.00 0.00 42.46 38.79 2wwq s ILE 34 CO 0.24 0.31 0.04 -0.69 -1.23 0.00 0.00 174.94 173.61 2wwq s VAL 35 N 1.24 4.46 -0.01 2.92 1.01 -1.26 -1.93 120.40 126.82 2wwq s VAL 35 Ca -0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 2wwq s VAL 35 Cb -0.16 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 2wwq s VAL 35 CO -0.09 0.38 0.29 -1.61 0.00 0.00 0.00 175.10 174.06 2wwq s GLU 36 N -1.61 3.65 0.00 2.72 8.01 -1.11 -4.02 118.70 126.33 2wwq s GLU 36 Ca 0.21 0.05 0.00 0.00 0.01 0.00 0.00 54.97 55.24 2wwq s GLU 36 Cb -0.12 -3.12 0.00 0.00 -4.31 0.00 0.00 34.13 26.58 2wwq s GLU 36 CO 0.12 0.68 0.00 0.41 0.01 0.00 0.00 175.26 176.47 2wwq n GLY 37 N 1.43 0.70 0.00 -1.39 0.00 -1.26 -4.56 105.19 100.11 2wwq n GLY 37 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2wwq n GLY 37 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wwq n ILE 38 N -2.57 0.00 0.27 -0.61 -5.35 -1.26 -4.66 119.36 105.19 2wwq n ILE 38 Ca 0.00 0.00 0.06 0.00 -0.27 0.00 0.00 62.75 62.54 2wwq n ILE 38 Cb 0.00 0.41 0.10 0.00 -1.74 0.00 0.00 39.64 38.41 2wwq n ILE 38 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2wwq n ASN 39 N 0.00 2.41 -4.01 7.28 4.13 -1.26 -4.95 115.26 118.86 2wwq n ASN 39 Ca 0.00 -1.69 -0.57 0.00 1.68 0.00 0.00 54.58 54.00 2wwq n ASN 39 Cb 0.45 -0.09 -0.08 0.00 -1.54 0.00 0.00 39.78 38.52 2wwq n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wwq n LEU 40 N 0.69 0.84 -4.25 3.41 -0.00 -1.26 -2.35 117.00 114.08 2wwq n LEU 40 Ca 0.09 1.01 -0.18 0.00 -0.00 0.00 0.00 56.01 56.93 2wwq n LEU 40 Cb 0.36 -0.76 -0.11 0.00 -0.00 0.00 0.00 43.42 42.92 2wwq n LEU 40 CO 0.08 -0.88 -0.45 0.68 -0.00 0.00 0.00 177.39 176.82 2wwq s VAL 41 N 2.09 1.39 -1.00 1.47 -7.23 -0.67 -4.90 120.40 111.54 2wwq s VAL 41 Ca 0.87 -1.74 -0.01 0.00 -1.81 0.00 0.00 61.98 59.29 2wwq s VAL 41 Cb -1.24 -1.57 0.32 0.00 0.56 0.00 0.00 36.38 34.45 2wwq s VAL 41 CO 0.66 -0.40 1.76 0.29 -0.31 0.00 0.00 175.10 177.09 2wwq n LYS 42 N 0.50 5.27 -1.48 4.82 5.02 -1.26 -0.50 118.16 130.54 2wwq n LYS 42 Ca -0.15 -4.68 -0.55 0.00 -2.02 0.00 0.00 58.31 50.91 2wwq n LYS 42 Cb 0.57 -2.45 -0.08 0.00 -0.02 0.00 0.00 35.03 33.05 2wwq n LYS 42 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2wwq n LYS 43 N -0.05 0.88 -2.30 1.97 3.00 -0.59 -4.65 118.16 116.42 2wwq n LYS 43 Ca 0.45 0.27 -0.34 0.00 -0.00 0.00 0.00 58.31 58.69 2wwq n LYS 43 Cb 0.27 -2.17 -0.04 0.00 0.00 0.00 0.00 35.03 33.10 2wwq n LYS 43 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2wwq s HIS 44 N 5.97 2.24 0.16 5.64 3.76 -1.26 -1.72 115.29 130.07 2wwq s HIS 44 Ca 1.08 -0.28 -0.31 0.00 -0.15 0.00 0.00 55.06 55.40 2wwq s HIS 44 Cb -1.05 -4.36 -0.11 0.00 1.11 0.00 0.00 32.58 28.17 2wwq s HIS 44 CO 0.57 -1.67 1.81 0.94 -0.85 0.00 0.00 174.74 175.54 2wwq n GLN 45 N 8.62 2.83 -3.88 1.40 7.27 -1.20 -4.98 117.38 127.44 2wwq n GLN 45 Ca 0.41 1.03 -0.36 0.00 0.07 0.00 0.00 57.00 58.15 2wwq n GLN 45 Cb 0.48 -2.91 -0.06 0.00 2.41 0.00 0.00 30.24 30.16 2wwq n GLN 45 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 2wwq s LYS 46 N 2.24 3.45 -0.10 3.69 2.20 -1.26 -4.04 119.74 125.92 2wwq s LYS 46 Ca 0.80 -0.18 -0.14 0.00 -0.36 0.00 0.00 55.97 56.09 2wwq s LYS 46 Cb -0.48 -3.16 -0.05 0.00 -1.51 0.00 0.00 37.83 32.63 2wwq s LYS 46 CO 0.35 0.74 0.35 -1.25 -0.36 0.00 0.00 175.35 175.19 2wwq s PRO 47 N -1.33 4.10 0.04 4.03 0.04 -1.26 -4.93 135.00 135.70 2wwq s PRO 47 Ca 0.19 0.24 -0.05 0.00 0.04 0.00 0.00 61.00 61.43 2wwq s PRO 47 Cb -0.12 -3.35 -0.02 0.00 0.04 0.00 0.00 34.50 31.05 2wwq s PRO 47 CO 0.09 0.40 0.07 0.14 0.04 0.00 0.00 177.00 177.74 2wwq s VAL 48 N -0.09 0.15 0.73 -0.36 -7.23 -0.50 -5.02 120.40 108.08 2wwq s VAL 48 Ca 0.20 -1.23 -0.11 0.00 -1.81 0.00 0.00 61.98 59.04 2wwq s VAL 48 Cb -0.14 -1.01 0.03 0.00 0.56 0.00 0.00 36.38 35.81 2wwq s VAL 48 CO 0.08 -0.68 1.08 -2.16 -0.31 0.00 0.00 175.10 173.11 2wwq s PRO 49 N -2.90 2.65 -0.98 4.82 0.04 -1.26 -3.99 135.00 133.37 2wwq s PRO 49 Ca -0.02 0.72 -0.06 0.00 0.04 0.00 0.00 61.00 61.68 2wwq s PRO 49 Cb 0.01 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 2wwq s PRO 49 CO -0.06 -1.24 0.86 0.00 0.04 0.00 0.00 177.00 176.60 2wwq n ALA 50 N -3.19 -2.36 -0.43 8.56 0.00 -1.26 -4.80 120.51 117.03 2wwq n ALA 50 Ca 0.07 0.13 0.03 0.00 0.00 0.00 0.00 53.44 53.67 2wwq n ALA 50 Cb 0.55 -5.46 -0.02 0.00 0.00 0.00 0.00 19.45 14.53 2wwq n ALA 50 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wwq n LEU 51 N -3.11 -0.37 -1.35 0.00 4.77 -1.26 -5.01 117.00 110.67 2wwq n LEU 51 Ca -0.07 0.75 -0.04 0.00 -0.03 0.00 0.00 56.01 56.62 2wwq n LEU 51 Cb 0.61 -0.64 0.02 0.00 -2.33 0.00 0.00 43.42 41.08 2wwq n LEU 51 CO 0.55 -0.48 0.03 0.59 -1.33 0.00 0.00 177.39 176.75 2wwq n ASN 52 N -2.37 -2.39 -0.01 -1.43 4.13 -1.26 -4.60 115.26 107.33 2wwq n ASN 52 Ca -0.02 -0.12 -0.17 0.00 1.68 0.00 0.00 54.58 55.95 2wwq n ASN 52 Cb 0.18 -1.44 -0.09 0.00 -1.54 0.00 0.00 39.78 36.88 2wwq n ASN 52 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 2wwq h GLN 53 N -0.46 0.58 -6.64 3.52 1.08 -1.92 -1.32 115.11 109.95 2wwq h GLN 53 Ca -0.12 -0.54 -0.51 0.00 -1.45 0.00 0.00 58.65 56.03 2wwq h GLN 53 Cb 1.07 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.62 2wwq h GLN 53 CO 0.11 1.16 0.39 -2.14 -0.95 0.00 0.00 178.83 177.40 2wwq s PRO 54 N -3.51 4.71 -0.44 1.46 0.02 -1.26 -4.74 135.00 131.24 2wwq s PRO 54 Ca -0.12 1.54 -0.09 0.00 0.02 0.00 0.00 61.00 62.35 2wwq s PRO 54 Cb 0.06 -3.32 0.09 0.00 0.02 0.00 0.00 34.50 31.35 2wwq s PRO 54 CO 0.86 0.25 0.29 0.20 -0.33 0.00 0.00 177.00 178.27 2wwq s GLY 55 N -0.35 1.99 0.09 0.52 0.00 -1.26 -4.53 107.32 103.77 2wwq s GLY 55 Ca 0.46 -2.27 -0.22 0.00 0.00 0.00 0.00 44.72 42.69 2wwq s GLY 55 CO 0.32 1.02 0.52 -0.32 0.00 0.00 0.00 173.10 174.64 2wwq s GLY 56 N 2.31 -0.45 -0.90 0.20 0.00 -1.26 -5.05 107.32 102.18 2wwq s GLY 56 Ca 0.04 0.47 -0.24 0.00 0.00 0.00 0.00 44.72 44.98 2wwq s GLY 56 CO 0.01 0.17 1.60 -0.42 0.00 0.00 0.00 173.10 174.45 2wwq s ILE 57 N -2.99 3.70 0.83 0.90 1.01 -1.26 -3.26 121.20 120.14 2wwq s ILE 57 Ca -0.02 -0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.16 2wwq s ILE 57 Cb -0.00 -4.64 0.09 0.00 0.01 0.00 0.00 42.46 37.92 2wwq s ILE 57 CO -0.06 -1.55 1.09 0.68 0.00 0.00 0.00 174.94 175.10 2wwq s VAL 58 N 6.90 3.01 -0.18 2.92 -7.23 -0.70 -4.86 120.40 120.27 2wwq s VAL 58 Ca 0.53 0.33 -0.09 0.00 -1.81 0.00 0.00 61.98 60.93 2wwq s VAL 58 Cb -0.04 -2.90 -0.05 0.00 0.56 0.00 0.00 36.38 33.95 2wwq s VAL 58 CO 0.00 -0.43 0.13 -1.61 -0.31 0.00 0.00 175.10 172.88 2wwq s GLU 59 N -4.99 4.01 -0.08 4.82 0.41 -1.26 -1.54 118.70 120.08 2wwq s GLU 59 Ca 0.62 -0.20 -0.01 0.00 -0.41 0.00 0.00 54.97 54.97 2wwq s GLU 59 Cb -0.17 -3.37 0.03 0.00 -1.78 0.00 0.00 34.13 28.84 2wwq s GLU 59 CO 0.56 0.41 -0.03 0.21 -0.49 0.00 0.00 175.26 175.92 2wwq s LYS 60 N 0.04 0.88 0.04 1.61 2.20 0.35 -4.88 119.74 119.98 2wwq s LYS 60 Ca 0.10 -0.03 -0.30 0.00 -0.36 0.00 0.00 55.97 55.37 2wwq s LYS 60 Cb -0.11 -1.09 -0.09 0.00 -1.51 0.00 0.00 37.83 35.02 2wwq s LYS 60 CO -0.01 -0.24 1.96 0.39 -0.36 0.00 0.00 175.35 177.10 2wwq n GLU 61 N 4.85 2.84 0.00 4.03 -0.58 -1.26 -1.68 120.64 128.84 2wwq n GLU 61 Ca -0.12 1.04 0.00 0.00 -0.42 0.00 0.00 57.16 57.66 2wwq n GLU 61 Cb 0.50 -2.99 0.00 0.00 -0.57 0.00 0.00 31.44 28.38 2wwq n GLU 61 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wwq n ALA 62 N 7.38 0.00 0.00 0.62 0.00 -0.99 -4.93 120.51 122.59 2wwq n ALA 62 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2wwq n ALA 62 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 2wwq n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wwq n ALA 63 N -1.05 0.00 -2.43 0.00 0.00 -1.26 -4.95 120.51 110.83 2wwq n ALA 63 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 2wwq n ALA 63 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2wwq n ALA 63 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2wwq s ILE 64 N 0.00 2.65 1.09 0.00 2.07 -0.93 -4.93 121.20 121.16 2wwq s ILE 64 Ca 0.00 -1.64 -0.12 0.00 -1.41 0.00 0.00 60.65 57.48 2wwq s ILE 64 Cb 0.00 -2.99 0.25 0.00 0.13 0.00 0.00 42.46 39.85 2wwq s ILE 64 CO 0.00 -0.07 1.06 -1.10 -1.91 0.00 0.00 174.94 172.91 2wwq s GLN 65 N -3.92 -0.38 0.00 3.50 -1.52 -1.26 -1.36 119.66 114.73 2wwq s GLN 65 Ca 0.41 1.01 0.19 0.00 -1.95 0.00 0.00 55.36 55.01 2wwq s GLN 65 Cb 0.00 -1.60 0.53 0.00 -0.22 0.00 0.00 33.01 31.71 2wwq s GLN 65 CO 0.23 -3.41 1.44 1.55 -0.25 0.00 0.00 175.29 174.86 2wwq n VAL 66 N -4.72 0.99 0.19 1.09 3.14 -1.08 -4.02 118.33 113.92 2wwq n VAL 66 Ca 0.05 -0.99 0.02 0.00 -2.96 0.00 0.00 64.34 60.46 2wwq n VAL 66 Cb 0.54 0.51 0.02 0.00 -1.06 0.00 0.00 33.84 33.84 2wwq n VAL 66 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2wwq n SER 67 N 1.26 1.27 -0.60 6.55 7.64 -1.26 -4.02 113.62 124.46 2wwq n SER 67 Ca 0.20 -1.13 0.13 0.00 1.01 0.00 0.00 58.87 59.07 2wwq n SER 67 Cb 0.55 0.09 0.31 0.00 -1.01 0.00 0.00 64.21 64.16 2wwq n SER 67 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2wwq n ASN 68 N 0.13 1.97 -4.83 6.43 4.13 -1.26 -4.85 115.26 116.99 2wwq n ASN 68 Ca 0.02 -1.58 -0.33 0.00 1.68 0.00 0.00 54.58 54.37 2wwq n ASN 68 Cb 0.11 0.07 -0.07 0.00 -1.54 0.00 0.00 39.78 38.35 2wwq n ASN 68 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2wwq s VAL 69 N -2.12 4.51 0.12 2.41 -7.23 -1.26 -1.53 120.40 115.31 2wwq s VAL 69 Ca 0.31 1.27 0.04 0.00 -1.81 0.00 0.00 61.98 61.79 2wwq s VAL 69 Cb 0.20 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.44 2wwq s VAL 69 CO 0.37 -0.18 -0.10 0.00 -0.31 0.00 0.00 175.10 174.88 2wwq s ALA 70 N -2.00 1.26 -0.13 1.32 0.00 -1.26 -4.31 121.76 116.63 2wwq s ALA 70 Ca 0.56 -1.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 2wwq s ALA 70 Cb -0.11 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 2wwq s ALA 70 CO 0.16 -0.09 -0.10 0.42 0.00 0.00 0.00 175.76 176.16 2wwq s ILE 71 N -3.02 3.38 0.61 0.00 1.01 -1.26 -1.67 121.20 120.24 2wwq s ILE 71 Ca 0.12 -0.55 -0.19 0.00 0.00 0.00 0.00 60.65 60.02 2wwq s ILE 71 Cb 0.01 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 2wwq s ILE 71 CO -0.00 0.52 1.31 0.12 0.00 0.00 0.00 174.94 176.89 2wwq s PHE 72 N 0.20 2.18 0.31 3.97 5.36 0.27 -2.83 117.98 127.44 2wwq s PHE 72 Ca -0.06 1.45 0.04 0.00 -0.96 0.00 0.00 56.93 57.41 2wwq s PHE 72 Cb -0.15 -3.71 -0.06 0.00 -0.34 0.00 0.00 43.02 38.76 2wwq s PHE 72 CO 0.04 -2.84 0.03 -0.80 -1.46 0.00 0.00 175.22 170.19 2wwq s ASN 73 N -1.27 2.45 -0.03 6.13 -0.87 -1.20 -4.79 114.94 115.37 2wwq s ASN 73 Ca 0.78 -1.34 -0.26 0.00 -1.57 0.00 0.00 52.86 50.48 2wwq s ASN 73 Cb -0.38 -0.10 -0.20 0.00 -0.02 0.00 0.00 41.25 40.55 2wwq s ASN 73 CO 0.42 -0.55 1.22 0.00 -2.57 0.00 0.00 177.10 175.61 2wwq h ALA 74 N 2.15 -0.04 -0.14 0.60 0.00 -1.96 -3.35 119.26 116.52 2wwq h ALA 74 Ca -0.41 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2wwq h ALA 74 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2wwq h ALA 74 CO 0.69 -0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.67 2wwq n ALA 75 N -2.38 2.44 -3.16 0.00 0.00 -1.26 -4.95 120.51 111.21 2wwq n ALA 75 Ca -0.09 -0.78 -0.12 0.00 0.00 0.00 0.00 53.44 52.45 2wwq n ALA 75 Cb 0.26 -0.72 -0.10 0.00 0.00 0.00 0.00 19.45 18.88 2wwq n ALA 75 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wwq s THR 76 N -1.59 0.04 0.04 0.00 2.01 -1.26 -5.05 115.64 109.83 2wwq s THR 76 Ca 0.28 -0.37 -0.18 0.00 0.31 0.00 0.00 61.69 61.73 2wwq s THR 76 Cb 0.18 -0.46 -0.21 0.00 0.01 0.00 0.00 72.50 72.02 2wwq s THR 76 CO 0.27 -0.20 1.17 1.23 -0.69 0.00 0.00 174.62 176.40 2wwq h GLY 77 N 4.69 0.58 -0.94 4.40 0.00 -1.92 -3.16 103.07 106.71 2wwq h GLY 77 Ca -0.29 -0.94 -0.40 0.00 0.00 0.00 0.00 47.33 45.70 2wwq h GLY 77 CO 0.38 0.83 0.02 0.54 0.00 0.00 0.00 176.54 178.31 2wwq s LYS 78 N -3.42 -1.89 0.28 4.80 1.02 -1.26 -4.13 119.74 115.14 2wwq s LYS 78 Ca -0.12 0.12 0.06 0.00 0.02 0.00 0.00 55.97 56.05 2wwq s LYS 78 Cb 0.05 -1.50 -0.03 0.00 -0.52 0.00 0.00 37.83 35.83 2wwq s LYS 78 CO 0.85 -4.19 0.32 0.00 -0.92 0.00 0.00 175.35 171.41 2wwq s ALA 79 N -2.64 3.87 -0.15 5.17 0.00 -1.13 -3.66 121.76 123.22 2wwq s ALA 79 Ca 0.69 -1.42 0.23 0.00 0.00 0.00 0.00 51.96 51.46 2wwq s ALA 79 Cb -0.13 -1.47 0.47 0.00 0.00 0.00 0.00 23.12 21.99 2wwq s ALA 79 CO 0.58 0.14 1.14 -0.40 0.00 0.00 0.00 175.76 177.22 2wwq n ASP 80 N -1.38 1.47 -0.91 0.00 5.68 -1.26 -5.02 116.55 115.13 2wwq n ASP 80 Ca -0.05 -2.13 0.11 0.00 -0.50 0.00 0.00 54.79 52.22 2wwq n ASP 80 Cb 0.58 -0.40 -0.06 0.00 -1.14 0.00 0.00 41.12 40.10 2wwq n ASP 80 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2wwq n ARG 81 N -0.17 -2.09 -4.29 0.11 3.00 -1.26 -4.53 116.66 107.42 2wwq n ARG 81 Ca 0.08 1.70 -0.31 0.00 -0.01 0.00 0.00 57.85 59.31 2wwq n ARG 81 Cb 0.95 -2.45 -0.16 0.00 0.00 0.00 0.00 32.46 30.79 2wwq n ARG 81 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2wwq s VAL 82 N -3.69 1.73 0.05 1.55 1.01 -1.26 -1.78 120.40 118.00 2wwq s VAL 82 Ca 0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 2wwq s VAL 82 Cb 0.00 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 2wwq s VAL 82 CO 0.00 0.49 0.29 -0.83 0.00 0.00 0.00 175.10 175.05 2wwq s GLY 83 N 1.18 2.24 -0.10 4.51 0.00 -1.07 -4.79 107.32 109.29 2wwq s GLY 83 Ca -0.01 -0.60 -0.03 0.00 0.00 0.00 0.00 44.72 44.08 2wwq s GLY 83 CO -0.07 -0.46 0.09 -0.11 0.00 0.00 0.00 173.10 172.55 2wwq s PHE 84 N -1.42 0.07 0.00 1.90 -0.12 -1.26 -2.85 117.98 114.29 2wwq s PHE 84 Ca 0.32 0.08 0.00 0.00 -0.05 0.00 0.00 56.93 57.28 2wwq s PHE 84 Cb -0.13 -0.53 0.00 0.00 -0.63 0.00 0.00 43.02 41.73 2wwq s PHE 84 CO 0.20 -0.34 0.00 -2.13 -0.05 0.00 0.00 175.22 172.90 2wwq n ARG 85 N 5.30 0.00 -3.56 1.99 0.00 -1.20 -4.88 116.66 114.31 2wwq n ARG 85 Ca -0.05 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.43 2wwq n ARG 85 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.89 2wwq n ARG 85 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2wwq s PHE 86 N 0.00 3.57 -0.17 -0.14 2.99 -1.22 -4.92 117.98 118.10 2wwq s PHE 86 Ca 0.00 0.74 -0.00 0.00 0.00 0.00 0.00 56.93 57.66 2wwq s PHE 86 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 43.02 40.74 2wwq s PHE 86 CO 0.00 0.44 -0.14 -1.21 -0.00 0.00 0.00 175.22 174.31 2wwq s GLU 87 N -0.25 3.21 -0.00 0.44 0.41 -1.25 -1.97 118.70 119.29 2wwq s GLU 87 Ca 0.19 -0.74 0.00 0.00 -0.41 0.00 0.00 54.97 54.02 2wwq s GLU 87 Cb -0.14 -2.67 0.01 0.00 -1.78 0.00 0.00 34.13 29.55 2wwq s GLU 87 CO 0.07 -0.04 0.99 -0.25 -0.49 0.00 0.00 175.26 175.54 2wwq n ASP 88 N 4.21 0.06 0.00 -0.19 9.92 -1.26 -4.84 116.55 124.45 2wwq n ASP 88 Ca -0.19 -1.99 0.00 0.00 -0.53 0.00 0.00 54.79 52.08 2wwq n ASP 88 Cb 0.51 -0.20 0.00 0.00 -0.64 0.00 0.00 41.12 40.80 2wwq n ASP 88 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wwq n GLY 89 N -0.04 0.56 3.81 0.44 0.00 -1.26 -5.09 105.19 103.61 2wwq n GLY 89 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2wwq n GLY 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wwq s LYS 90 N -0.95 1.49 0.27 1.61 2.20 -1.26 -5.14 119.74 117.97 2wwq s LYS 90 Ca 0.00 -0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 54.46 2wwq s LYS 90 Cb 0.00 0.49 -0.11 0.00 -1.51 0.00 0.00 37.83 36.70 2wwq s LYS 90 CO 0.00 -0.69 1.58 0.15 -0.36 0.00 0.00 175.35 176.04 2wwq s LYS 91 N -3.38 4.15 -0.00 4.03 3.01 -1.26 -3.90 119.74 122.39 2wwq s LYS 91 Ca 0.13 2.54 0.03 0.00 -1.01 0.00 0.00 55.97 57.65 2wwq s LYS 91 Cb -0.03 -3.04 -0.01 0.00 -1.01 0.00 0.00 37.83 33.73 2wwq s LYS 91 CO 0.05 -0.61 -0.10 0.08 0.51 0.00 0.00 175.35 175.28 2wwq s VAL 92 N 0.15 0.77 0.76 3.17 1.01 -0.83 -4.97 120.40 120.45 2wwq s VAL 92 Ca 0.64 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 62.05 2wwq s VAL 92 Cb -0.47 -0.66 0.16 0.00 0.00 0.00 0.00 36.38 35.42 2wwq s VAL 92 CO 0.45 0.16 1.04 0.54 0.00 0.00 0.00 175.10 177.29 2wwq n ARG 93 N 2.69 -0.58 0.00 2.72 1.74 -1.26 -3.21 116.66 118.75 2wwq n ARG 93 Ca -0.14 -2.15 0.00 0.00 -0.77 0.00 0.00 57.85 54.79 2wwq n ARG 93 Cb 0.56 -0.90 0.00 0.00 -1.02 0.00 0.00 32.46 31.11 2wwq n ARG 93 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 2wwq n PHE 94 N -3.16 0.00 -1.97 -1.55 -1.74 -1.13 -3.43 117.46 104.48 2wwq n PHE 94 Ca 0.15 0.00 -0.41 0.00 -0.56 0.00 0.00 57.45 56.63 2wwq n PHE 94 Cb 0.52 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.49 2wwq n PHE 94 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 2wwq s PHE 95 N -0.31 1.67 0.48 2.97 0.40 -1.26 -2.59 117.98 119.34 2wwq s PHE 95 Ca 0.00 0.77 -0.22 0.00 -0.60 0.00 0.00 56.93 56.88 2wwq s PHE 95 Cb 0.00 -4.06 -0.09 0.00 0.51 0.00 0.00 43.02 39.38 2wwq s PHE 95 CO 0.00 -2.68 0.93 0.36 0.70 0.00 0.00 175.22 174.52 2wwq n LYS 96 N 8.77 1.13 -1.97 0.44 2.85 -0.74 -1.41 118.16 127.24 2wwq n LYS 96 Ca 0.23 0.41 0.00 0.00 -1.05 0.00 0.00 58.31 57.91 2wwq n LYS 96 Cb 0.49 -2.01 0.00 0.00 -0.65 0.00 0.00 35.03 32.86 2wwq n LYS 96 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2wwq n SER 97 N 0.26 -0.99 0.00 -5.58 7.64 -1.26 -4.58 113.62 109.11 2wwq n SER 97 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2wwq n SER 97 Cb 0.42 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 2wwq n SER 97 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2wwq n ASN 98 N 1.97 0.00 -1.63 6.43 0.23 -1.18 -5.05 115.26 116.02 2wwq n ASN 98 Ca 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 53.98 2wwq n ASN 98 Cb 0.49 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 38.20 2wwq n ASN 98 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2wwq n SER 99 N 0.00 -1.05 -0.24 0.53 7.64 -0.50 -4.85 113.62 115.15 2wwq n SER 99 Ca 0.00 -0.05 -0.04 0.00 1.01 0.00 0.00 58.87 59.79 2wwq n SER 99 Cb 0.00 -0.31 0.13 0.00 -1.01 0.00 0.00 64.21 63.02 2wwq n SER 99 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2wwq h GLU 100 N 0.45 1.06 -4.45 1.43 4.81 -1.85 -3.46 114.58 112.57 2wwq h GLU 100 Ca -0.11 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2wwq h GLU 100 Cb 0.28 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 2wwq h GLU 100 CO 0.05 0.85 -0.81 0.25 -0.73 0.00 0.00 179.01 178.62 2wwq n THR 101 N -4.30 -9.25 -0.59 0.32 -2.24 -1.26 -4.99 114.28 91.97 2wwq n THR 101 Ca 0.07 1.47 0.00 0.00 -2.27 0.00 0.00 64.05 63.32 2wwq n THR 101 Cb 0.16 -5.93 0.00 0.00 -2.10 0.00 0.00 70.33 62.46 2wwq n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50