#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdi n PHE 12 N 0.00 2.36 0.17 5.58 1.16 -1.26 -4.87 117.46 120.59 2wdi n PHE 12 Ca 0.00 0.47 0.08 0.00 -1.87 0.00 0.00 57.45 56.13 2wdi n PHE 12 Cb 0.00 -2.46 0.08 0.00 -1.61 0.00 0.00 39.48 35.49 2wdi n PHE 12 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2wdi h ARG 13 N 3.42 0.00 0.00 3.97 -0.00 -2.07 -3.49 114.38 116.22 2wdi h ARG 13 Ca -0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.02 2wdi h ARG 13 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.24 2wdi h ARG 13 CO 0.69 0.17 0.00 0.28 0.00 0.00 0.00 179.97 181.11 2wdi n VAL 14 N -3.07 0.00 -2.65 2.04 0.31 -1.26 -4.85 118.33 108.86 2wdi n VAL 14 Ca 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.22 2wdi n VAL 14 Cb 0.62 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.54 2wdi n VAL 14 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wdi n ARG 15 N 12.52 -2.59 0.13 5.55 5.12 -1.26 -4.73 116.66 131.40 2wdi n ARG 15 Ca 0.00 0.47 0.12 0.00 -1.93 0.00 0.00 57.85 56.51 2wdi n ARG 15 Cb 0.00 -5.08 0.51 0.00 -1.16 0.00 0.00 32.46 26.73 2wdi n ARG 15 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2wdi n ASN 16 N -1.86 0.64 0.00 0.55 4.13 -1.26 -4.13 115.26 113.32 2wdi n ASN 16 Ca -0.09 0.68 0.00 0.00 1.68 0.00 0.00 54.58 56.85 2wdi n ASN 16 Cb 0.58 -0.81 0.00 0.00 -1.54 0.00 0.00 39.78 38.01 2wdi n ASN 16 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 2wdi n ARG 17 N -2.23 2.42 -2.43 3.52 1.85 -1.26 -4.49 116.66 114.04 2wdi n ARG 17 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 2wdi n ARG 17 Cb 0.19 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.60 2wdi n ARG 17 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 2wdi n ILE 18 N 0.00 0.00 -2.09 8.89 0.00 -1.26 -4.42 119.36 120.48 2wdi n ILE 18 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 62.75 62.75 2wdi n ILE 18 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 39.64 39.63 2wdi n ILE 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2wdi n LYS 19 N -2.42 0.00 -3.65 9.51 4.81 -1.26 -5.08 118.16 120.06 2wdi n LYS 19 Ca 0.00 -0.86 -0.38 0.00 -0.87 0.00 0.00 58.31 56.20 2wdi n LYS 19 Cb 0.48 -0.08 -0.12 0.00 0.02 0.00 0.00 35.03 35.34 2wdi n LYS 19 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2wdi s ARG 20 N 0.00 3.70 0.00 1.64 1.81 -1.26 -4.83 118.95 120.01 2wdi s ARG 20 Ca 0.06 -0.47 0.00 0.00 -1.72 0.00 0.00 55.73 53.60 2wdi s ARG 20 Cb 0.07 -3.54 0.00 0.00 -0.45 0.00 0.00 34.95 31.03 2wdi s ARG 20 CO -0.03 -0.25 0.00 2.41 -0.68 0.00 0.00 175.30 176.75 2wdi n THR 21 N 5.00 0.00 0.88 0.02 -1.04 -1.26 -4.77 114.28 113.11 2wdi n THR 21 Ca -0.15 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.88 2wdi n THR 21 Cb 0.51 1.34 0.07 0.00 -1.82 0.00 0.00 70.33 70.42 2wdi n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wdi n GLY 22 N 0.00 1.28 0.83 3.41 0.00 -1.26 -5.00 105.19 104.45 2wdi n GLY 22 Ca 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 45.92 2wdi n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdi n ARG 23 N 0.06 -1.13 -2.59 1.61 1.74 -1.26 -4.76 116.66 110.32 2wdi n ARG 23 Ca 0.05 0.93 -0.05 0.00 -0.77 0.00 0.00 57.85 58.01 2wdi n ARG 23 Cb 0.35 -1.65 -0.04 0.00 -1.02 0.00 0.00 32.46 30.10 2wdi n ARG 23 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wdi n LEU 24 N -3.42 -6.07 0.00 0.55 7.99 -1.26 -4.23 117.00 110.57 2wdi n LEU 24 Ca -0.03 2.32 0.00 0.00 -0.01 0.00 0.00 56.01 58.29 2wdi n LEU 24 Cb 0.23 -3.17 0.00 0.00 -0.11 0.00 0.00 43.42 40.37 2wdi n LEU 24 CO 0.01 -3.84 0.00 0.54 -1.51 0.00 0.00 177.39 172.59 2wdi n ARG 25 N 1.81 0.67 -2.67 3.23 1.74 0.11 -1.51 116.66 120.05 2wdi n ARG 25 Ca -0.34 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.69 2wdi n ARG 25 Cb 0.53 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 32.02 2wdi n ARG 25 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wdi n LEU 26 N 0.00 -1.39 -4.72 0.55 0.00 -1.02 -3.73 117.00 106.69 2wdi n LEU 26 Ca 0.00 -2.23 -0.35 0.00 0.00 0.00 0.00 56.01 53.43 2wdi n LEU 26 Cb 0.00 0.78 0.09 0.00 0.00 0.00 0.00 43.42 44.29 2wdi n LEU 26 CO 0.00 1.47 0.82 -0.55 0.00 0.00 0.00 177.39 179.13 2wdi s SER 27 N -0.44 4.23 0.21 1.96 0.15 -0.68 -3.53 113.70 115.60 2wdi s SER 27 Ca 0.13 2.43 0.06 0.00 0.70 0.00 0.00 55.95 59.26 2wdi s SER 27 Cb 0.20 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.87 2wdi s SER 27 CO -0.08 -2.24 -0.08 -0.69 1.20 0.00 0.00 173.24 171.34 2wdi s VAL 28 N -1.85 1.39 -0.12 4.45 1.01 -1.26 -1.28 120.40 122.73 2wdi s VAL 28 Ca 0.76 -2.11 -0.03 0.00 0.00 0.00 0.00 61.98 60.61 2wdi s VAL 28 Cb -0.31 -2.15 0.05 0.00 0.00 0.00 0.00 36.38 33.97 2wdi s VAL 28 CO 0.44 -0.51 0.05 0.12 0.00 0.00 0.00 175.10 175.20 2wdi s PHE 29 N -3.19 0.51 -0.15 5.22 5.99 -1.24 -4.49 117.98 120.63 2wdi s PHE 29 Ca 0.24 -0.30 -0.17 0.00 0.00 0.00 0.00 56.93 56.70 2wdi s PHE 29 Cb 0.03 -0.77 -0.04 0.00 0.00 0.00 0.00 43.02 42.24 2wdi s PHE 29 CO 0.07 -0.42 0.43 0.50 -0.00 0.00 0.00 175.22 175.79 2wdi s ARG 30 N 2.03 4.28 0.11 10.12 6.06 -1.26 -2.35 118.95 137.94 2wdi s ARG 30 Ca 0.03 0.33 0.07 0.00 -2.50 0.00 0.00 55.73 53.66 2wdi s ARG 30 Cb -0.14 -3.47 -0.04 0.00 0.06 0.00 0.00 34.95 31.36 2wdi s ARG 30 CO -0.07 0.10 -0.17 0.45 -2.50 0.00 0.00 175.30 173.12 2wdi s SER 31 N 0.73 2.20 0.55 -2.12 0.15 -1.19 -4.96 113.70 109.06 2wdi s SER 31 Ca 0.23 -0.72 0.25 0.00 0.70 0.00 0.00 55.95 56.40 2wdi s SER 31 Cb -0.15 -0.10 1.47 0.00 -1.71 0.00 0.00 66.02 65.54 2wdi s SER 31 CO 0.08 -0.04 2.06 -0.07 1.20 0.00 0.00 173.24 176.47 2wdi h LEU 32 N 3.87 0.00 0.00 3.45 3.38 -2.06 -2.88 115.31 121.07 2wdi h LEU 32 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2wdi h LEU 32 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2wdi h LEU 32 CO 0.44 0.00 -0.06 0.29 0.09 0.00 0.00 178.44 179.20 2wdi n LYS 33 N -4.17 6.36 -0.05 1.13 4.76 -1.26 -5.09 118.16 119.84 2wdi n LYS 33 Ca 0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 2wdi n LYS 33 Cb 0.41 -0.51 0.00 0.00 -1.84 0.00 0.00 35.03 33.08 2wdi n LYS 33 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2wdi n HIS 34 N -1.00 0.00 0.00 2.13 8.25 -1.09 -4.77 115.22 118.75 2wdi n HIS 34 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wdi n HIS 34 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wdi n HIS 34 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 2wdi n ILE 35 N 0.00 0.00 -1.43 1.59 3.06 -1.25 -3.20 119.36 118.13 2wdi n ILE 35 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 2wdi n ILE 35 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 2wdi n ILE 35 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 2wdi n TYR 36 N 0.00 -3.15 -3.57 9.51 4.02 -0.99 -2.28 117.16 120.71 2wdi n TYR 36 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.90 2wdi n TYR 36 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.26 2wdi n TYR 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wdi s ALA 37 N -3.42 -2.63 0.16 -0.72 0.00 -1.26 -3.61 121.76 110.28 2wdi s ALA 37 Ca 0.00 2.03 0.09 0.00 0.00 0.00 0.00 51.96 54.08 2wdi s ALA 37 Cb 0.00 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 2wdi s ALA 37 CO 0.00 -0.46 -0.21 -0.65 0.00 0.00 0.00 175.76 174.44 2wdi s GLN 38 N 1.37 1.32 -0.38 0.00 -0.21 -0.41 -2.14 119.66 119.21 2wdi s GLN 38 Ca -0.07 -1.38 0.01 0.00 0.02 0.00 0.00 55.36 53.93 2wdi s GLN 38 Cb -0.03 -1.53 0.11 0.00 1.00 0.00 0.00 33.01 32.56 2wdi s GLN 38 CO -0.13 0.33 0.13 0.42 -2.12 0.00 0.00 175.29 173.93 2wdi s ILE 39 N -1.68 2.77 0.01 1.08 -1.09 -1.18 -1.69 121.20 119.44 2wdi s ILE 39 Ca 0.15 -2.25 -0.13 0.00 -2.23 0.00 0.00 60.65 56.20 2wdi s ILE 39 Cb -0.08 -2.96 -0.06 0.00 -1.58 0.00 0.00 42.46 37.78 2wdi s ILE 39 CO 0.07 -0.65 0.38 -0.63 -1.23 0.00 0.00 174.94 172.88 2wdi s ILE 40 N 0.97 5.09 -0.76 2.92 1.01 -1.24 -1.52 121.20 127.66 2wdi s ILE 40 Ca 0.10 0.67 0.03 0.00 0.00 0.00 0.00 60.65 61.45 2wdi s ILE 40 Cb -0.21 -3.66 0.20 0.00 0.01 0.00 0.00 42.46 38.80 2wdi s ILE 40 CO -0.06 0.50 0.64 -0.67 0.00 0.00 0.00 174.94 175.35 2wdi n ASP 41 N 1.57 3.56 -3.23 3.58 2.03 -1.19 0.10 116.55 122.96 2wdi n ASP 41 Ca -0.13 -3.24 -0.25 0.00 0.52 0.00 0.00 54.79 51.69 2wdi n ASP 41 Cb 0.53 -0.84 0.24 0.00 -0.72 0.00 0.00 41.12 40.33 2wdi n ASP 41 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2wdi n ASP 42 N 1.84 -3.79 0.00 1.67 9.92 -1.26 -1.57 116.55 123.36 2wdi n ASP 42 Ca 0.22 -0.72 0.00 0.00 -0.53 0.00 0.00 54.79 53.76 2wdi n ASP 42 Cb 0.36 -0.85 0.00 0.00 -0.64 0.00 0.00 41.12 39.99 2wdi n ASP 42 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2wdi n GLU 43 N -4.76 -1.17 0.00 -1.24 -0.58 -1.26 -4.13 120.64 107.50 2wdi n GLU 43 Ca 0.11 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 57.14 2wdi n GLU 43 Cb 0.49 -4.67 0.00 0.00 -0.57 0.00 0.00 31.44 26.69 2wdi n GLU 43 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2wdi n LYS 44 N -0.30 1.56 -1.01 3.49 4.81 -1.16 -5.07 118.16 120.48 2wdi n LYS 44 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2wdi n LYS 44 Cb 0.29 -0.16 -0.00 0.00 0.02 0.00 0.00 35.03 35.18 2wdi n LYS 44 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wdi n GLY 45 N -0.04 0.29 0.00 3.14 0.00 -0.61 -5.02 105.19 102.95 2wdi n GLY 45 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2wdi n GLY 45 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdi n VAL 46 N -2.52 0.00 -3.22 1.61 0.31 -1.20 -4.91 118.33 108.40 2wdi n VAL 46 Ca -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.31 2wdi n VAL 46 Cb 0.25 -1.80 -0.02 0.00 -0.91 0.00 0.00 33.84 31.36 2wdi n VAL 46 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2wdi s THR 47 N -0.31 -0.87 0.08 2.52 2.01 -1.26 -3.19 115.64 114.62 2wdi s THR 47 Ca 0.00 -0.14 -0.31 0.00 0.31 0.00 0.00 61.69 61.55 2wdi s THR 47 Cb 0.00 -0.64 -0.16 0.00 0.01 0.00 0.00 72.50 71.70 2wdi s THR 47 CO 0.00 -0.10 1.64 -0.07 -0.69 0.00 0.00 174.62 175.39 2wdi h LEU 48 N 7.62 -0.71-10.05 4.42 4.07 -1.64 -3.47 115.31 115.54 2wdi h LEU 48 Ca 0.00 0.04 -0.67 0.00 0.08 0.00 0.00 57.88 57.33 2wdi h LEU 48 Cb 1.16 0.21 -0.12 0.00 1.08 0.00 0.00 40.66 42.98 2wdi h LEU 48 CO 0.16 -0.45 -0.50 -0.69 -1.08 0.00 0.00 178.44 175.87 2wdi s VAL 49 N -6.06 1.21 -0.30 1.22 1.01 -1.25 -5.01 120.40 111.22 2wdi s VAL 49 Ca -0.17 -1.96 -0.17 0.00 0.00 0.00 0.00 61.98 59.68 2wdi s VAL 49 Cb 0.05 -2.18 0.19 0.00 0.00 0.00 0.00 36.38 34.44 2wdi s VAL 49 CO 0.63 0.00 1.19 -0.94 0.00 0.00 0.00 175.10 175.98 2wdi s SER 50 N -3.90 -0.20 -0.42 3.32 1.04 -1.26 -3.09 113.70 109.20 2wdi s SER 50 Ca 0.08 0.32 0.07 0.00 0.48 0.00 0.00 55.95 56.90 2wdi s SER 50 Cb 0.01 0.99 0.23 0.00 0.10 0.00 0.00 66.02 67.36 2wdi s SER 50 CO 0.05 -0.05 0.48 0.00 0.98 0.00 0.00 173.24 174.70 2wdi n ALA 51 N 3.10 2.66 -0.55 5.32 0.00 -0.91 -4.86 120.51 125.27 2wdi n ALA 51 Ca -0.17 -3.42 -0.29 0.00 0.00 0.00 0.00 53.44 49.57 2wdi n ALA 51 Cb 0.57 -0.80 0.21 0.00 0.00 0.00 0.00 19.45 19.42 2wdi n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wdi n SER 52 N 1.78 -2.59 0.00 0.00 3.41 -1.26 -4.04 113.62 110.93 2wdi n SER 52 Ca 0.24 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2wdi n SER 52 Cb 0.51 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 2wdi n SER 52 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2wdi n SER 53 N -2.87 0.00 -0.33 4.04 2.88 -0.96 -4.58 113.62 111.80 2wdi n SER 53 Ca 0.03 0.00 0.28 0.00 -1.33 0.00 0.00 58.87 57.85 2wdi n SER 53 Cb 0.56 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.48 2wdi n SER 53 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2wdi n LEU 54 N 0.00 0.11 -1.37 2.46 7.99 -1.26 0.99 117.00 125.91 2wdi n LEU 54 Ca 0.00 0.84 0.00 0.00 -0.01 0.00 0.00 56.01 56.84 2wdi n LEU 54 Cb 0.00 -0.41 0.00 0.00 -0.11 0.00 0.00 43.42 42.90 2wdi n LEU 54 CO 0.00 -0.90 0.61 0.00 -1.51 0.00 0.00 177.39 175.59 2wdi n ALA 55 N -2.56 2.94 0.00 -1.18 0.00 -1.26 -1.09 120.51 117.35 2wdi n ALA 55 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2wdi n ALA 55 Cb 1.07 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 19.37 2wdi n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wdi n LEU 56 N 1.22 0.00 0.00 0.00 0.00 0.28 -4.82 117.00 113.67 2wdi n LEU 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2wdi n LEU 56 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.80 2wdi n LEU 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.39 178.56 2wdi n LYS 57 N -1.47 0.00 -0.31 1.96 4.81 -0.25 -5.11 118.16 117.79 2wdi n LYS 57 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2wdi n LYS 57 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2wdi n LYS 57 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2wdi n LEU 58 N 0.00 0.00 0.00 3.14 4.32 -1.26 -4.50 117.00 118.70 2wdi n LEU 58 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2wdi n LEU 58 Cb 0.00 -0.92 0.00 0.00 -1.62 0.00 0.00 43.42 40.88 2wdi n LEU 58 CO 0.00 0.00 0.00 0.29 -1.22 0.00 0.00 177.39 176.46 2wdi n LYS 59 N -1.72 2.60 -0.95 3.23 5.02 -1.26 -4.87 118.16 120.21 2wdi n LYS 59 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wdi n LYS 59 Cb 0.07 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.07 2wdi n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdi n GLY 60 N 0.00 0.76 0.00 0.72 0.00 -1.26 -4.93 105.19 100.48 2wdi n GLY 60 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2wdi n GLY 60 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wdi n ASN 61 N 0.16 0.00 0.00 1.61 4.05 -1.26 -5.08 115.26 114.75 2wdi n ASN 61 Ca -0.05 0.08 0.00 0.00 0.45 0.00 0.00 54.58 55.06 2wdi n ASN 61 Cb 0.81 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.82 2wdi n ASN 61 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2wdi n LYS 62 N -0.43 0.00 0.17 1.20 4.76 -1.26 -4.94 118.16 117.67 2wdi n LYS 62 Ca 0.00 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.30 2wdi n LYS 62 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 2wdi n LYS 62 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2wdi h THR 63 N 0.00 0.37 -0.76 -0.18 1.35 -1.96 -0.52 112.91 111.21 2wdi h THR 63 Ca 0.00 0.00 0.22 0.00 -0.55 0.00 0.00 66.41 66.08 2wdi h THR 63 Cb 0.00 0.37 -0.03 0.00 -1.73 0.00 0.00 68.15 66.76 2wdi h THR 63 CO 0.00 0.00 0.61 -0.08 -0.25 0.00 0.00 175.52 175.80 2wdi h GLU 64 N -0.59 0.00 -0.25 4.72 4.81 -1.95 0.91 114.58 122.22 2wdi h GLU 64 Ca -0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 2wdi h GLU 64 Cb 0.56 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2wdi h GLU 64 CO -0.09 0.00 -0.42 0.28 -0.73 0.00 0.00 179.01 178.05 2wdi h VAL 65 N 0.00 1.30 -0.91 0.32 2.07 -1.48 -3.00 116.25 114.54 2wdi h VAL 65 Ca 0.36 -1.60 0.05 0.00 0.82 0.00 0.00 66.70 66.33 2wdi h VAL 65 Cb 1.58 1.56 -0.06 0.00 -1.52 0.00 0.00 31.29 32.85 2wdi h VAL 65 CO -0.00 0.51 0.60 0.00 0.02 0.00 0.00 177.57 178.69 2wdi h ALA 66 N 1.03 1.47 0.66 1.67 0.00 0.15 -0.32 119.26 123.92 2wdi h ALA 66 Ca 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2wdi h ALA 66 Cb 0.94 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2wdi h ALA 66 CO 0.08 0.42 -0.39 0.00 0.00 0.00 0.00 179.25 179.36 2wdi h ARG 67 N 1.09 -0.94 0.08 0.00 2.47 -1.42 -1.31 114.38 114.35 2wdi h ARG 67 Ca 0.38 0.06 0.02 0.00 -1.26 0.00 0.00 59.98 59.19 2wdi h ARG 67 Cb 0.12 0.21 -0.04 0.00 -1.65 0.00 0.00 29.97 28.61 2wdi h ARG 67 CO -0.13 -0.63 -0.30 1.96 0.56 0.00 0.00 179.97 181.43 2wdi h GLN 68 N -0.98 -0.48 0.00 0.04 4.20 -1.51 0.25 115.11 116.62 2wdi h GLN 68 Ca -0.09 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2wdi h GLN 68 Cb 0.78 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.67 2wdi h GLN 68 CO 0.10 -0.32 0.24 -0.24 -0.67 0.00 0.00 178.83 177.93 2wdi h VAL 69 N -0.50 0.00 0.13 -0.54 3.04 -1.08 0.14 116.25 117.43 2wdi h VAL 69 Ca 0.04 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.72 2wdi h VAL 69 Cb 0.55 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 2wdi h VAL 69 CO -0.20 0.00 -0.06 1.23 -1.01 0.00 0.00 177.57 177.52 2wdi h GLY 70 N 0.00 -0.18 0.22 3.17 0.00 0.67 -2.60 103.07 104.35 2wdi h GLY 70 Ca 0.00 0.07 0.20 0.00 0.00 0.00 0.00 47.33 47.60 2wdi h GLY 70 CO 0.00 -0.07 0.70 3.21 0.00 0.00 0.00 176.54 180.38 2wdi h ARG 71 N -0.62 0.00 0.00 4.80 3.08 -0.31 0.76 114.38 122.10 2wdi h ARG 71 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2wdi h ARG 71 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2wdi h ARG 71 CO 0.03 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.93 2wdi n ALA 72 N -2.39 -0.39 -0.33 0.04 0.00 0.39 -1.33 120.51 116.51 2wdi n ALA 72 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.72 2wdi n ALA 72 Cb 0.94 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.75 2wdi n ALA 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wdi h LEU 73 N 0.00 0.71 0.00 0.00 6.46 -0.86 -2.72 115.31 118.90 2wdi h LEU 73 Ca 0.00 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2wdi h LEU 73 Cb 0.00 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 39.87 2wdi h LEU 73 CO 0.00 0.28 0.00 0.00 -0.62 0.00 0.00 178.44 178.10 2wdi n ALA 74 N -2.38 0.00 -0.09 1.25 0.00 0.16 -0.35 120.51 119.09 2wdi n ALA 74 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2wdi n ALA 74 Cb 0.57 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.07 2wdi n ALA 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wdi n GLU 75 N -0.28 0.00 -0.26 0.00 1.02 -0.44 -0.48 120.64 120.20 2wdi n GLU 75 Ca 0.00 0.53 -0.04 0.00 -0.02 0.00 0.00 57.16 57.63 2wdi n GLU 75 Cb 0.00 -0.82 -0.03 0.00 -0.02 0.00 0.00 31.44 30.57 2wdi n GLU 75 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wdi n LYS 76 N -2.30 -0.23 0.00 3.49 5.02 -1.04 -1.45 118.16 121.65 2wdi n LYS 76 Ca 0.00 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.25 2wdi n LYS 76 Cb 0.00 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 2wdi n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wdi n ALA 77 N -3.58 -0.24 0.00 7.82 0.00 0.52 -3.70 120.51 121.33 2wdi n ALA 77 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2wdi n ALA 77 Cb 0.20 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2wdi n ALA 77 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wdi n LEU 78 N -1.77 0.00 -0.38 0.00 4.77 -0.53 0.59 117.00 119.67 2wdi n LEU 78 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2wdi n LEU 78 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2wdi n LEU 78 CO 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 177.39 176.08 2wdi n ALA 79 N -2.31 1.21 -0.01 -1.18 0.00 -1.20 -2.13 120.51 114.89 2wdi n ALA 79 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdi n ALA 79 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 2wdi n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wdi n LEU 80 N 0.24 0.00 0.00 0.00 4.32 0.20 -4.98 117.00 116.78 2wdi n LEU 80 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2wdi n LEU 80 Cb 0.01 0.06 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 2wdi n LEU 80 CO 0.00 0.06 0.00 0.61 -1.22 0.00 0.00 177.39 176.84 2wdi n GLY 81 N 2.52 1.05 3.92 -0.72 0.00 -0.90 -5.14 105.19 105.91 2wdi n GLY 81 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 2wdi n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wdi s ILE 82 N -1.29 5.34 0.00 -0.61 -1.09 -1.23 -4.86 121.20 117.46 2wdi s ILE 82 Ca 0.00 -0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.09 2wdi s ILE 82 Cb 0.00 -3.64 0.00 0.00 -1.58 0.00 0.00 42.46 37.24 2wdi s ILE 82 CO 0.00 0.09 0.00 1.17 -1.23 0.00 0.00 174.94 174.97 2wdi n LYS 83 N 0.16 0.00 -3.93 2.79 4.81 -1.26 -4.29 118.16 116.44 2wdi n LYS 83 Ca -0.05 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.05 2wdi n LYS 83 Cb 0.51 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.42 2wdi n LYS 83 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 2wdi s GLN 84 N 0.00 3.27 0.00 1.64 2.00 -1.26 0.93 119.66 126.23 2wdi s GLN 84 Ca 0.00 -0.69 0.00 0.00 -2.00 0.00 0.00 55.36 52.67 2wdi s GLN 84 Cb 0.00 -2.98 0.00 0.00 0.80 0.00 0.00 33.01 30.83 2wdi s GLN 84 CO 0.00 -0.23 0.00 1.33 -0.50 0.00 0.00 175.29 175.89 2wdi n VAL 85 N 4.77 0.00 -3.55 1.34 0.24 -1.26 -4.91 118.33 114.96 2wdi n VAL 85 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 2wdi n VAL 85 Cb 0.50 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.82 2wdi n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wdi s ALA 86 N -1.35 -2.55 0.85 2.33 0.00 -0.57 -4.91 121.76 115.56 2wdi s ALA 86 Ca 0.00 2.08 0.00 0.00 0.00 0.00 0.00 51.96 54.04 2wdi s ALA 86 Cb 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.22 2wdi s ALA 86 CO 0.00 -0.53 0.00 0.34 0.00 0.00 0.00 175.76 175.57 2wdi n PHE 87 N 3.92 -0.82 0.00 0.00 7.35 -1.26 -2.42 117.46 124.22 2wdi n PHE 87 Ca -0.15 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.54 2wdi n PHE 87 Cb 0.56 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.39 2wdi n PHE 87 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2wdi n ASP 88 N 0.00 0.00 -2.10 -2.13 4.64 -1.23 -3.97 116.55 111.77 2wdi n ASP 88 Ca 0.00 0.00 -0.01 0.00 -1.38 0.00 0.00 54.79 53.40 2wdi n ASP 88 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 41.12 40.07 2wdi n ASP 88 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 2wdi n ARG 89 N 0.00 -3.75 0.00 -0.67 0.00 -1.26 -4.80 116.66 106.17 2wdi n ARG 89 Ca 0.00 2.88 0.00 0.00 -0.00 0.00 0.00 57.85 60.73 2wdi n ARG 89 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 32.46 28.69 2wdi n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wdi n GLY 90 N 1.34 -1.18 1.91 5.14 0.00 -1.26 -3.03 105.19 108.11 2wdi n GLY 90 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2wdi n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wdi n PRO 91 N 0.00 0.14 0.00 1.61 -0.04 -1.26 -4.54 135.00 130.91 2wdi n PRO 91 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2wdi n PRO 91 Cb 0.00 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 2wdi n PRO 91 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2wdi n TYR 92 N 1.91 0.00 -1.52 0.54 4.11 -1.17 -4.97 117.16 116.07 2wdi n TYR 92 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.90 57.90 2wdi n TYR 92 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.41 2wdi n TYR 92 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 2wdi n LYS 93 N -0.56 -0.02 -0.26 -3.48 3.00 -1.26 -4.70 118.16 110.87 2wdi n LYS 93 Ca 0.00 0.03 -0.03 0.00 -0.00 0.00 0.00 58.31 58.31 2wdi n LYS 93 Cb 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 35.03 33.45 2wdi n LYS 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 2wdi n TYR 94 N -1.50 0.00 -3.83 5.64 9.36 -1.26 -4.70 117.16 120.87 2wdi n TYR 94 Ca -0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 2wdi n TYR 94 Cb 0.50 -0.09 0.01 0.00 -0.63 0.00 0.00 39.34 39.13 2wdi n TYR 94 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 2wdi s HIS 95 N 0.00 0.02 0.00 2.98 2.46 -1.26 -5.02 115.29 114.47 2wdi s HIS 95 Ca 0.20 -0.49 0.00 0.00 0.47 0.00 0.00 55.06 55.25 2wdi s HIS 95 Cb -0.13 0.73 0.00 0.00 -0.13 0.00 0.00 32.58 33.05 2wdi s HIS 95 CO 0.09 -1.11 0.00 0.41 -2.47 0.00 0.00 174.74 171.66 2wdi n GLY 96 N -0.59 1.16 0.38 1.59 0.00 -1.26 -2.47 105.19 104.00 2wdi n GLY 96 Ca -0.05 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.69 2wdi n GLY 96 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wdi n ARG 97 N 0.00 0.00 -1.35 1.61 -4.01 -1.26 -4.81 116.66 106.84 2wdi n ARG 97 Ca 0.00 0.00 -0.59 0.00 -1.04 0.00 0.00 57.85 56.22 2wdi n ARG 97 Cb 0.00 -0.81 -0.10 0.00 -3.04 0.00 0.00 32.46 28.50 2wdi n ARG 97 CO 0.00 0.00 0.00 1.55 -3.04 0.00 0.00 177.63 176.14 2wdi n VAL 98 N 0.13 0.00 1.00 8.89 3.14 -1.03 -4.76 118.33 125.70 2wdi n VAL 98 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2wdi n VAL 98 Cb 0.00 -0.46 0.01 0.00 -1.06 0.00 0.00 33.84 32.33 2wdi n VAL 98 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2wdi n LYS 99 N 5.67 1.14 -1.15 1.45 4.76 -1.26 -4.50 118.16 124.27 2wdi n LYS 99 Ca 0.42 -0.11 -0.09 0.00 -2.87 0.00 0.00 58.31 55.66 2wdi n LYS 99 Cb -0.04 -1.49 -0.09 0.00 -1.84 0.00 0.00 35.03 31.56 2wdi n LYS 99 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wdi n ALA 100 N -0.01 0.73 -2.81 7.82 0.00 -1.26 -4.80 120.51 120.18 2wdi n ALA 100 Ca 0.01 -0.87 -0.36 0.00 0.00 0.00 0.00 53.44 52.22 2wdi n ALA 100 Cb 0.27 -1.24 -0.07 0.00 0.00 0.00 0.00 19.45 18.40 2wdi n ALA 100 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2wdi s LEU 101 N 0.00 4.11 0.00 0.00 -0.00 -1.26 -4.95 118.68 116.58 2wdi s LEU 101 Ca 0.54 0.35 0.00 0.00 -0.00 0.00 0.00 54.13 55.02 2wdi s LEU 101 Cb -0.35 -1.98 0.00 0.00 -0.00 0.00 0.00 46.19 43.86 2wdi s LEU 101 CO 0.23 0.40 0.08 0.00 -0.00 0.00 0.00 176.35 177.06 2wdi n ALA 102 N 2.06 0.00 0.00 1.48 0.00 -1.26 -4.26 120.51 118.53 2wdi n ALA 102 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2wdi n ALA 102 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2wdi n ALA 102 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wdi n GLU 103 N -0.09 0.00 -1.54 0.00 -0.58 -1.26 -4.27 120.64 112.90 2wdi n GLU 103 Ca 0.00 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.57 2wdi n GLU 103 Cb 0.00 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 30.75 2wdi n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wdi n GLY 104 N -0.83 -0.26 0.99 0.62 0.00 -1.26 -4.74 105.19 99.71 2wdi n GLY 104 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2wdi n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdi n ALA 105 N 14.07 2.25 1.44 4.61 0.00 -1.16 -3.25 120.51 138.46 2wdi n ALA 105 Ca 0.54 0.00 0.14 0.00 0.00 0.00 0.00 53.44 54.12 2wdi n ALA 105 Cb 0.33 -1.00 0.60 0.00 0.00 0.00 0.00 19.45 19.38 2wdi n ALA 105 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wdi n ARG 106 N 0.62 0.83 -0.69 0.00 0.00 0.26 -4.49 116.66 113.19 2wdi n ARG 106 Ca 0.00 -0.32 0.09 0.00 -0.00 0.00 0.00 57.85 57.62 2wdi n ARG 106 Cb 0.37 -1.49 -0.03 0.00 0.00 0.00 0.00 32.46 31.31 2wdi n ARG 106 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2wdi n GLU 107 N -0.80 -1.49 0.00 -0.14 4.07 -1.20 -4.64 120.64 116.43 2wdi n GLU 107 Ca 0.15 1.10 0.00 0.00 -0.06 0.00 0.00 57.16 58.36 2wdi n GLU 107 Cb 0.28 -1.77 0.00 0.00 -0.06 0.00 0.00 31.44 29.89 2wdi n GLU 107 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wdi n GLY 108 N -3.32 2.96 0.00 8.31 0.00 -1.26 -4.87 105.19 107.00 2wdi n GLY 108 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2wdi n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93