#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nwt n PRO 2 N 0.00 0.46 -1.89 2.12 -0.02 -1.26 -4.94 135.00 129.47 2nwt n PRO 2 Ca 0.00 0.17 -0.30 0.00 -2.02 0.00 0.00 63.50 61.34 2nwt n PRO 2 Cb 0.00 -1.75 0.03 0.00 -0.02 0.00 0.00 33.50 31.76 2nwt n PRO 2 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2nwt s LYS 3 N 3.41 3.22 0.18 -0.52 1.02 -1.26 -5.06 119.74 120.73 2nwt s LYS 3 Ca 1.03 0.59 -0.19 0.00 0.02 0.00 0.00 55.97 57.43 2nwt s LYS 3 Cb -1.33 -2.06 -0.08 0.00 -0.52 0.00 0.00 37.83 33.85 2nwt s LYS 3 CO 0.75 -0.80 0.66 0.96 -0.92 0.00 0.00 175.35 176.00 2nwt s ILE 4 N -3.26 4.65 0.34 2.17 -0.00 -1.26 -5.07 121.20 118.76 2nwt s ILE 4 Ca 0.56 1.18 -0.14 0.00 -0.00 0.00 0.00 60.65 62.26 2nwt s ILE 4 Cb -0.11 -3.85 -0.08 0.00 -0.00 0.00 0.00 42.46 38.42 2nwt s ILE 4 CO 0.53 0.28 0.74 -0.63 -0.00 0.00 0.00 174.94 175.85 2nwt s ILE 5 N -1.44 4.70 -0.11 8.37 1.01 -1.26 -5.07 121.20 127.41 2nwt s ILE 5 Ca 0.40 0.87 0.02 0.00 0.00 0.00 0.00 60.65 61.94 2nwt s ILE 5 Cb -0.17 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.68 2nwt s ILE 5 CO 0.21 -0.25 -0.17 -1.61 0.00 0.00 0.00 174.94 173.12 2nwt s GLU 6 N -3.16 2.36 0.20 2.79 2.02 -1.26 -5.07 118.70 116.58 2nwt s GLU 6 Ca 0.53 -0.62 -0.03 0.00 0.02 0.00 0.00 54.97 54.88 2nwt s GLU 6 Cb -0.10 -1.96 -0.03 0.00 0.10 0.00 0.00 34.13 32.13 2nwt s GLU 6 CO 0.20 -0.03 0.18 0.00 0.02 0.00 0.00 175.26 175.64 2nwt s ALA 7 N 0.88 0.89 -0.05 5.21 0.00 -1.26 0.56 121.76 127.98 2nwt s ALA 7 Ca -0.08 -1.53 0.02 0.00 0.00 0.00 0.00 51.96 50.37 2nwt s ALA 7 Cb -0.15 1.28 0.01 0.00 0.00 0.00 0.00 23.12 24.26 2nwt s ALA 7 CO -0.00 -0.63 -0.11 0.14 0.00 0.00 0.00 175.76 175.16 2nwt s VAL 8 N -4.12 1.04 -0.20 0.00 -7.23 0.15 -4.88 120.40 105.15 2nwt s VAL 8 Ca 0.35 -0.44 -0.29 0.00 -1.81 0.00 0.00 61.98 59.78 2nwt s VAL 8 Cb 0.06 -0.95 -0.01 0.00 0.56 0.00 0.00 36.38 36.04 2nwt s VAL 8 CO 0.10 0.33 1.31 -0.47 -0.31 0.00 0.00 175.10 176.06 2nwt s TYR 9 N 0.55 2.72 -0.21 2.82 5.04 -1.26 -0.84 117.35 126.18 2nwt s TYR 9 Ca -0.11 0.91 -0.18 0.00 -2.44 0.00 0.00 57.07 55.24 2nwt s TYR 9 Cb -0.14 -3.66 0.06 0.00 0.35 0.00 0.00 41.96 38.56 2nwt s TYR 9 CO 0.03 -1.86 0.55 -2.00 -1.34 0.00 0.00 175.55 170.93 2nwt s GLU 10 N 3.78 0.63 -1.48 4.97 2.12 0.20 -4.91 118.70 124.01 2nwt s GLU 10 Ca 0.57 0.81 0.00 0.00 0.36 0.00 0.00 54.97 56.70 2nwt s GLU 10 Cb -0.21 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.46 2nwt s GLU 10 CO 0.18 -0.09 0.00 -1.71 -0.54 0.00 0.00 175.26 173.11 2nwt n ASN 11 N 3.01 -4.78 -0.76 -1.70 5.15 -1.26 -0.62 115.26 114.30 2nwt n ASN 11 Ca -0.15 0.16 -0.09 0.00 -0.60 0.00 0.00 54.58 53.90 2nwt n ASN 11 Cb 0.56 -3.81 -0.04 0.00 -0.53 0.00 0.00 39.78 35.97 2nwt n ASN 11 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2nwt n GLY 12 N -1.03 1.00 3.22 8.20 0.00 -1.26 -5.01 105.19 110.30 2nwt n GLY 12 Ca -0.17 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 2nwt n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nwt s VAL 13 N -2.36 1.01 -0.29 1.61 1.01 0.21 -5.13 120.40 116.46 2nwt s VAL 13 Ca 0.00 -1.95 -0.07 0.00 0.00 0.00 0.00 61.98 59.96 2nwt s VAL 13 Cb 0.00 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.67 2nwt s VAL 13 CO 0.00 -0.74 0.08 -0.36 0.00 0.00 0.00 175.10 174.08 2nwt s PHE 14 N -3.24 3.15 -0.17 5.22 0.40 -1.26 0.59 117.98 122.67 2nwt s PHE 14 Ca 0.13 -0.95 -0.02 0.00 -0.60 0.00 0.00 56.93 55.49 2nwt s PHE 14 Cb 0.02 -2.26 -0.01 0.00 0.51 0.00 0.00 43.02 41.28 2nwt s PHE 14 CO -0.01 -0.57 -0.09 0.15 0.70 0.00 0.00 175.22 175.40 2nwt s LYS 15 N 1.51 3.40 1.13 0.44 3.01 -0.02 -4.88 119.74 124.32 2nwt s LYS 15 Ca 0.03 -0.65 -0.13 0.00 -1.01 0.00 0.00 55.97 54.21 2nwt s LYS 15 Cb -0.17 -2.80 0.26 0.00 -1.01 0.00 0.00 37.83 34.11 2nwt s LYS 15 CO 0.03 0.05 1.05 -1.25 0.51 0.00 0.00 175.35 175.73 2nwt s PRO 16 N 0.80 -0.61 0.00 -1.68 0.04 -1.26 0.31 135.00 132.61 2nwt s PRO 16 Ca -0.03 0.68 0.17 0.00 0.04 0.00 0.00 61.00 61.86 2nwt s PRO 16 Cb -0.15 -1.60 -0.03 0.00 0.04 0.00 0.00 34.50 32.76 2nwt s PRO 16 CO 0.01 -3.47 0.88 1.28 0.04 0.00 0.00 177.00 175.74 2nwt n LEU 17 N -4.72 1.59 -3.87 -3.56 4.77 0.19 -4.72 117.00 106.68 2nwt n LEU 17 Ca 0.03 -0.73 -0.19 0.00 -0.03 0.00 0.00 56.01 55.09 2nwt n LEU 17 Cb 0.55 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.48 2nwt n LEU 17 CO 0.58 0.31 -0.40 0.00 -1.33 0.00 0.00 177.39 176.55 2nwt s GLN 18 N -2.10 0.70 0.11 3.23 -2.07 -1.25 -5.07 119.66 113.20 2nwt s GLN 18 Ca 0.13 -0.06 -0.31 0.00 -1.82 0.00 0.00 55.36 53.31 2nwt s GLN 18 Cb 0.14 -0.76 -0.08 0.00 -1.09 0.00 0.00 33.01 31.22 2nwt s GLN 18 CO 0.47 -0.10 1.41 0.21 -1.32 0.00 0.00 175.29 175.96 2nwt s LYS 19 N 0.97 4.31 0.11 9.60 2.20 -1.26 -4.87 119.74 130.79 2nwt s LYS 19 Ca -0.10 2.09 0.09 0.00 -0.36 0.00 0.00 55.97 57.68 2nwt s LYS 19 Cb -0.14 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 2nwt s LYS 19 CO -0.00 -0.47 -0.20 0.08 -0.36 0.00 0.00 175.35 174.40 2nwt s VAL 20 N 1.26 2.72 -0.30 4.02 1.01 -1.26 -5.03 120.40 122.82 2nwt s VAL 20 Ca 0.65 -1.51 0.10 0.00 0.00 0.00 0.00 61.98 61.22 2nwt s VAL 20 Cb -0.37 -2.22 0.63 0.00 0.00 0.00 0.00 36.38 34.42 2nwt s VAL 20 CO 0.30 0.13 1.66 -0.67 0.00 0.00 0.00 175.10 176.52 2nwt n ASP 21 N 0.92 3.94 -3.73 3.32 2.03 -1.26 -4.98 116.55 116.79 2nwt n ASP 21 Ca -0.16 -3.36 -0.30 0.00 0.52 0.00 0.00 54.79 51.49 2nwt n ASP 21 Cb 0.53 -0.69 0.26 0.00 -0.72 0.00 0.00 41.12 40.50 2nwt n ASP 21 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2nwt s LEU 22 N -3.06 0.12 0.51 -2.67 1.43 -1.26 -5.05 118.68 108.71 2nwt s LEU 22 Ca 0.50 0.74 0.04 0.00 -1.03 0.00 0.00 54.13 54.38 2nwt s LEU 22 Cb 0.42 -2.38 0.03 0.00 0.03 0.00 0.00 46.19 44.29 2nwt s LEU 22 CO 0.09 -4.53 0.71 -0.54 0.23 0.00 0.00 176.35 172.31 2nwt s LYS 23 N -5.26 2.59 0.12 1.70 1.02 -1.26 -5.05 119.74 113.60 2nwt s LYS 23 Ca 0.70 -1.02 -0.30 0.00 0.02 0.00 0.00 55.97 55.37 2nwt s LYS 23 Cb -0.11 -2.59 -0.06 0.00 -0.52 0.00 0.00 37.83 34.54 2nwt s LYS 23 CO 0.57 -0.59 1.07 -1.21 -0.92 0.00 0.00 175.35 174.26 2nwt s GLU 24 N -4.62 4.59 -0.23 1.68 8.01 -1.26 -2.96 118.70 123.91 2nwt s GLU 24 Ca 0.57 1.62 0.00 0.00 0.01 0.00 0.00 54.97 57.17 2nwt s GLU 24 Cb -0.10 -3.34 0.00 0.00 -4.31 0.00 0.00 34.13 26.39 2nwt s GLU 24 CO 0.37 0.04 0.00 0.41 0.01 0.00 0.00 175.26 176.09 2nwt n GLY 25 N 2.39 0.56 3.74 -1.39 0.00 -1.26 -4.99 105.19 104.25 2nwt n GLY 25 Ca 0.04 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 2nwt n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nwt s GLU 26 N -1.64 4.37 -0.59 1.61 0.41 -1.16 -4.92 118.70 116.79 2nwt s GLU 26 Ca 0.00 2.11 -0.23 0.00 -0.41 0.00 0.00 54.97 56.44 2nwt s GLU 26 Cb 0.00 -3.16 0.05 0.00 -1.78 0.00 0.00 34.13 29.24 2nwt s GLU 26 CO 0.00 -0.26 0.93 0.50 -0.49 0.00 0.00 175.26 175.94 2nwt s ARG 27 N -0.42 3.24 0.10 1.61 6.06 -1.26 -4.99 118.95 123.29 2nwt s ARG 27 Ca 0.56 -0.51 0.06 0.00 -2.50 0.00 0.00 55.73 53.34 2nwt s ARG 27 Cb -0.38 -4.12 -0.03 0.00 0.06 0.00 0.00 34.95 30.48 2nwt s ARG 27 CO 0.41 -1.59 -0.15 0.14 -2.50 0.00 0.00 175.30 171.61 2nwt s VAL 28 N 3.92 1.32 -0.03 7.11 -7.23 -1.26 -5.14 120.40 119.08 2nwt s VAL 28 Ca 0.26 -1.55 0.03 0.00 -1.81 0.00 0.00 61.98 58.91 2nwt s VAL 28 Cb -0.14 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.42 2nwt s VAL 28 CO 0.15 -0.30 -0.12 -0.54 -0.31 0.00 0.00 175.10 173.98 2nwt s LYS 29 N -2.25 1.31 -0.05 4.82 1.02 -1.26 -5.14 119.74 118.20 2nwt s LYS 29 Ca 0.05 -0.42 -0.02 0.00 0.02 0.00 0.00 55.97 55.59 2nwt s LYS 29 Cb -0.07 -1.17 -0.04 0.00 -0.52 0.00 0.00 37.83 36.02 2nwt s LYS 29 CO 0.03 0.16 0.08 0.42 -0.92 0.00 0.00 175.35 175.12 2nwt s ILE 30 N 0.17 4.82 0.06 2.17 1.01 -1.26 -5.10 121.20 123.07 2nwt s ILE 30 Ca -0.04 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.38 2nwt s ILE 30 Cb -0.10 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 2nwt s ILE 30 CO 0.01 0.47 -0.05 -0.54 0.00 0.00 0.00 174.94 174.83 2nwt s LYS 31 N -1.39 0.64 -0.37 2.79 3.01 -1.26 -5.11 119.74 118.05 2nwt s LYS 31 Ca 0.19 -1.12 -0.24 0.00 -1.01 0.00 0.00 55.97 53.79 2nwt s LYS 31 Cb -0.12 -0.02 0.01 0.00 -1.01 0.00 0.00 37.83 36.69 2nwt s LYS 31 CO 0.09 -0.05 0.83 -0.51 0.51 0.00 0.00 175.35 176.23 2nwt s LEU 32 N -2.59 4.09 0.10 3.17 1.43 -1.26 -5.00 118.68 118.61 2nwt s LEU 32 Ca 0.03 0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 53.42 2nwt s LEU 32 Cb 0.02 -3.11 -0.06 0.00 0.03 0.00 0.00 46.19 43.07 2nwt s LEU 32 CO -0.06 -0.78 0.48 -1.61 0.23 0.00 0.00 176.35 174.61 2nwt s GLU 33 N 3.24 3.90 0.00 1.70 0.41 -1.26 -5.07 118.70 121.62 2nwt s GLU 33 Ca 0.34 0.37 0.00 0.00 -0.41 0.00 0.00 54.97 55.27 2nwt s GLU 33 Cb -0.13 -3.01 0.00 0.00 -1.78 0.00 0.00 34.13 29.22 2nwt s GLU 33 CO 0.18 0.54 0.00 1.28 -0.49 0.00 0.00 175.26 176.77 2nwt n LEU 34 N 1.01 0.00 -4.45 1.80 7.99 -1.26 -5.16 117.00 116.93 2nwt n LEU 34 Ca -0.08 0.00 -0.22 0.00 -0.01 0.00 0.00 56.01 55.71 2nwt n LEU 34 Cb 0.52 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.73 2nwt n LEU 34 CO 0.42 -0.21 -0.34 -0.75 -1.51 0.00 0.00 177.39 175.00 2nwt s LYS 35 N -0.33 1.61 0.08 3.23 2.20 -1.26 -5.10 119.74 120.16 2nwt s LYS 35 Ca 0.00 -1.84 -0.31 0.00 -0.36 0.00 0.00 55.97 53.47 2nwt s LYS 35 Cb 0.00 -1.15 -0.09 0.00 -1.51 0.00 0.00 37.83 35.08 2nwt s LYS 35 CO 0.00 -0.01 1.66 0.54 -0.36 0.00 0.00 175.35 177.18 2nwt s VAL 36 N -3.03 2.98 0.05 4.02 0.11 -1.26 -4.98 120.40 118.28 2nwt s VAL 36 Ca 0.31 0.46 0.00 0.00 -2.93 0.00 0.00 61.98 59.82 2nwt s VAL 36 Cb 0.05 -3.29 -0.04 0.00 -1.53 0.00 0.00 36.38 31.57 2nwt s VAL 36 CO 0.13 0.00 0.16 -1.61 -3.33 0.00 0.00 175.10 170.45 2nwt s GLU 37 N 2.54 3.26 0.00 1.54 2.02 -1.26 -5.12 118.70 121.68 2nwt s GLU 37 Ca 0.74 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 55.24 2nwt s GLU 37 Cb -0.40 -2.95 0.00 0.00 0.10 0.00 0.00 34.13 30.87 2nwt s GLU 37 CO 0.32 0.61 0.00 -2.30 0.02 0.00 0.00 175.26 173.92 2nwt n PRO 38 N 0.54 0.17 -2.31 0.39 -0.02 -1.26 -5.01 135.00 127.50 2nwt n PRO 38 Ca -0.08 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.02 2nwt n PRO 38 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.98 2nwt n PRO 38 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2nwt s ILE 39 N -0.59 3.20 0.00 4.25 -5.25 -1.26 -4.93 121.20 116.62 2nwt s ILE 39 Ca 0.00 0.98 0.00 0.00 -0.99 0.00 0.00 60.65 60.64 2nwt s ILE 39 Cb 0.00 -3.54 0.00 0.00 2.95 0.00 0.00 42.46 41.87 2nwt s ILE 39 CO 0.00 0.07 0.00 -0.67 -1.79 0.00 0.00 174.94 172.55 2nwt n ASP 40 N -0.02 0.03 -3.85 4.36 2.03 -1.26 -5.09 116.55 112.74 2nwt n ASP 40 Ca 0.05 -0.29 -0.14 0.00 0.52 0.00 0.00 54.79 54.92 2nwt n ASP 40 Cb 0.47 0.59 0.03 0.00 -0.72 0.00 0.00 41.12 41.49 2nwt n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2nwt n LEU 41 N -0.59 0.00 -3.71 -2.67 -0.00 -1.26 -5.14 117.00 103.63 2nwt n LEU 41 Ca 0.00 -1.69 -0.11 0.00 -0.00 0.00 0.00 56.01 54.21 2nwt n LEU 41 Cb 0.00 -0.18 -0.11 0.00 -0.00 0.00 0.00 43.42 43.13 2nwt n LEU 41 CO 0.00 -0.57 0.01 -0.83 -0.00 0.00 0.00 177.39 176.00 2nwt s GLY 42 N -3.52 -0.28 0.15 1.47 0.00 -1.26 -5.15 107.32 98.73 2nwt s GLY 42 Ca 0.32 1.38 -0.30 0.00 0.00 0.00 0.00 44.72 46.12 2nwt s GLY 42 CO 0.20 1.54 0.98 -0.54 0.00 0.00 0.00 173.10 175.28 2nwt s GLU 43 N 1.29 4.71 0.96 2.90 2.02 -1.26 -5.04 118.70 124.28 2nwt s GLU 43 Ca -0.09 1.51 -0.12 0.00 0.02 0.00 0.00 54.97 56.30 2nwt s GLU 43 Cb -0.08 -3.33 0.16 0.00 0.10 0.00 0.00 34.13 30.97 2nwt s GLU 43 CO -0.11 0.25 1.09 -2.14 0.02 0.00 0.00 175.26 174.37 2nwt s PRO 44 N -0.34 0.77 0.47 0.39 0.02 -1.26 -5.04 135.00 130.00 2nwt s PRO 44 Ca 0.46 0.83 -0.08 0.00 0.02 0.00 0.00 61.00 62.23 2nwt s PRO 44 Cb -0.25 -1.75 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 2nwt s PRO 44 CO 0.31 -2.58 0.80 0.08 -0.33 0.00 0.00 177.00 175.29 2nwt s VAL 45 N -2.85 4.84 0.67 3.83 1.01 -1.26 -5.08 120.40 121.57 2nwt s VAL 45 Ca 0.65 0.42 -0.07 0.00 0.00 0.00 0.00 61.98 62.98 2nwt s VAL 45 Cb -0.19 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.41 2nwt s VAL 45 CO 0.58 -0.76 0.99 -0.44 0.00 0.00 0.00 175.10 175.47 2nwt s SER 46 N -3.76 5.11 0.20 3.32 0.01 -1.26 -5.02 113.70 112.30 2nwt s SER 46 Ca 0.50 0.60 -0.30 0.00 1.31 0.00 0.00 55.95 58.05 2nwt s SER 46 Cb -0.10 -1.37 -0.09 0.00 0.21 0.00 0.00 66.02 64.67 2nwt s SER 46 CO 0.41 -1.41 1.35 0.54 0.41 0.00 0.00 173.24 174.53 2nwt s VAL 47 N -3.18 3.09 -0.04 3.43 0.11 -1.26 -4.94 120.40 117.61 2nwt s VAL 47 Ca 0.58 0.89 -0.01 0.00 -2.93 0.00 0.00 61.98 60.51 2nwt s VAL 47 Cb -0.11 -3.57 -0.26 0.00 -1.53 0.00 0.00 36.38 30.91 2nwt s VAL 47 CO 0.45 0.13 0.69 1.05 -3.33 0.00 0.00 175.10 174.10 2nwt h GLU 48 N 5.42 0.20 0.00 1.54 4.11 -2.04 -3.38 114.58 120.44 2nwt h GLU 48 Ca -0.45 -0.34 -0.04 0.00 0.07 0.00 0.00 59.36 58.61 2nwt h GLU 48 Cb 1.21 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 2nwt h GLU 48 CO 0.78 1.01 -0.17 0.93 0.07 0.00 0.00 179.01 181.63 2nwt h GLU 49 N 0.05 0.00 0.00 1.06 5.08 -1.97 -2.62 114.58 116.19 2nwt h GLU 49 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2nwt h GLU 49 Cb 2.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.27 2nwt h GLU 49 CO 0.13 0.17 0.00 1.51 -1.00 0.00 0.00 179.01 179.82 2nwt n ILE 50 N -3.70 0.38 1.24 3.13 3.06 -1.26 -2.83 119.36 119.38 2nwt n ILE 50 Ca -0.02 0.10 0.13 0.00 -2.50 0.00 0.00 62.75 60.46 2nwt n ILE 50 Cb 0.29 -0.70 0.41 0.00 0.54 0.00 0.00 39.64 40.18 2nwt n ILE 50 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 2nwt n LYS 51 N -1.47 0.69 -1.12 9.51 4.81 -0.99 -5.05 118.16 124.54 2nwt n LYS 51 Ca 0.06 -0.37 0.10 0.00 -0.87 0.00 0.00 58.31 57.24 2nwt n LYS 51 Cb 0.26 -1.49 -0.06 0.00 0.02 0.00 0.00 35.03 33.76 2nwt n LYS 51 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2nwt n LYS 52 N -0.83 -2.69 -1.05 1.64 3.00 -1.13 -4.93 118.16 112.17 2nwt n LYS 52 Ca 0.12 2.18 -0.30 0.00 -0.00 0.00 0.00 58.31 60.31 2nwt n LYS 52 Cb 0.33 -3.00 0.16 0.00 0.00 0.00 0.00 35.03 32.52 2nwt n LYS 52 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 2nwt s ILE 53 N -4.25 2.48 -0.01 3.15 2.07 -1.26 -5.02 121.20 118.37 2nwt s ILE 53 Ca 0.00 0.16 -0.03 0.00 -1.41 0.00 0.00 60.65 59.36 2nwt s ILE 53 Cb 0.00 -2.53 -0.02 0.00 0.13 0.00 0.00 42.46 40.04 2nwt s ILE 53 CO 0.00 -0.20 0.44 0.03 -1.91 0.00 0.00 174.94 173.30 2nwt h ARG 54 N -1.76 -0.12 -4.93 3.50 3.08 -2.04 -3.49 114.38 108.63 2nwt h ARG 54 Ca -0.51 0.01 -0.47 0.00 0.07 0.00 0.00 59.98 59.08 2nwt h ARG 54 Cb 1.29 0.03 -0.13 0.00 0.08 0.00 0.00 29.97 31.23 2nwt h ARG 54 CO 0.53 -0.08 -0.53 0.16 -1.07 0.00 0.00 179.97 178.98 2nwt s ASP 55 N -3.14 1.91 0.00 7.04 -4.77 -1.26 -4.86 116.67 111.60 2nwt s ASP 55 Ca -0.02 -1.65 0.00 0.00 -3.30 0.00 0.00 52.55 47.58 2nwt s ASP 55 Cb 0.00 0.47 0.00 0.00 -1.09 0.00 0.00 42.92 42.31 2nwt s ASP 55 CO 0.05 -0.95 0.00 0.61 0.70 0.00 0.00 175.17 175.58 2nwt n GLY 56 N -0.68 0.69 0.00 2.12 0.00 -1.26 -5.08 105.19 100.98 2nwt n GLY 56 Ca 0.01 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2nwt n GLY 56 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2nwt n THR 57 N -3.16 0.00 -1.32 2.61 5.66 -1.26 -5.09 114.28 111.71 2nwt n THR 57 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 2nwt n THR 57 Cb 0.28 -1.02 0.09 0.00 -1.55 0.00 0.00 70.33 68.13 2nwt n THR 57 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 2nwt s TRP 58 N 1.28 2.65 -0.06 1.09 0.52 -1.26 -5.07 118.94 118.10 2nwt s TRP 58 Ca 0.00 1.46 0.02 0.00 0.02 0.00 0.00 56.10 57.59 2nwt s TRP 58 Cb 0.00 -3.04 0.02 0.00 -1.15 0.00 0.00 33.47 29.30 2nwt s TRP 58 CO 0.00 -1.79 -0.08 1.41 0.02 0.00 0.00 176.95 176.51 2nwt s MET 59 N -4.95 1.23 0.08 4.98 1.75 -1.26 -5.14 119.30 115.99 2nwt s MET 59 Ca 0.61 -0.24 -0.11 0.00 -1.25 0.00 0.00 55.69 54.69 2nwt s MET 59 Cb -0.17 -1.11 -0.06 0.00 2.84 0.00 0.00 34.83 36.34 2nwt s MET 59 CO 0.56 -0.04 0.43 0.45 -0.65 0.00 0.00 175.02 175.77 2nwt s SER 60 N 0.83 6.70 0.00 1.11 0.15 -1.26 -4.96 113.70 116.27 2nwt s SER 60 Ca -0.12 0.87 0.21 0.00 0.70 0.00 0.00 55.95 57.61 2nwt s SER 60 Cb -0.15 -2.21 0.98 0.00 -1.71 0.00 0.00 66.02 62.93 2nwt s SER 60 CO 0.01 0.18 1.67 -1.54 1.20 0.00 0.00 173.24 174.77 2nwt n SER 61 N 1.03 0.96 -2.20 5.45 3.41 -1.26 -4.99 113.62 116.02 2nwt n SER 61 Ca -0.08 -1.54 -0.01 0.00 -0.26 0.00 0.00 58.87 56.97 2nwt n SER 61 Cb 0.52 -0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.41 2nwt n SER 61 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2nwt n LEU 62 N -0.17 -5.71 -4.57 1.04 4.77 -1.26 -4.81 117.00 106.30 2nwt n LEU 62 Ca 0.16 2.22 -0.40 0.00 -0.03 0.00 0.00 56.01 57.97 2nwt n LEU 62 Cb 0.22 -2.87 -0.03 0.00 -2.33 0.00 0.00 43.42 38.42 2nwt n LEU 62 CO 0.13 -2.70 1.58 -0.70 -1.33 0.00 0.00 177.39 174.36 2nwt s GLU 63 N -0.83 2.86 0.20 3.23 2.12 -1.26 -4.97 118.70 120.05 2nwt s GLU 63 Ca -0.07 0.87 -0.27 0.00 0.36 0.00 0.00 54.97 55.86 2nwt s GLU 63 Cb 0.00 -4.32 -0.08 0.00 0.26 0.00 0.00 34.13 29.99 2nwt s GLU 63 CO 0.20 -2.45 0.84 -1.01 -0.54 0.00 0.00 175.26 172.31 2nwt s HIS 64 N 8.37 3.93 -0.35 5.30 3.76 -1.26 -4.96 115.29 130.08 2nwt s HIS 64 Ca 0.71 1.74 -0.28 0.00 -0.15 0.00 0.00 55.06 57.08 2nwt s HIS 64 Cb -0.15 -2.85 -0.04 0.00 1.11 0.00 0.00 32.58 30.65 2nwt s HIS 64 CO 0.25 0.48 2.04 -1.58 -0.85 0.00 0.00 174.74 175.08 2nwt s HIS 65 N -1.18 1.46 0.36 1.40 2.46 -1.26 -4.90 115.29 113.62 2nwt s HIS 65 Ca 0.38 0.76 -0.28 0.00 0.47 0.00 0.00 55.06 56.39 2nwt s HIS 65 Cb -0.24 -3.97 -0.11 0.00 -0.13 0.00 0.00 32.58 28.13 2nwt s HIS 65 CO 0.28 -3.20 1.47 -3.38 -2.47 0.00 0.00 174.74 167.45 2nwt s HIS 66 N 8.44 2.68 -0.06 3.88 -3.43 -1.26 -5.01 115.29 120.53 2nwt s HIS 66 Ca 0.88 1.15 -0.14 0.00 -0.80 0.00 0.00 55.06 56.16 2nwt s HIS 66 Cb -0.24 -3.97 0.03 0.00 -1.43 0.00 0.00 32.58 26.96 2nwt s HIS 66 CO 0.31 -2.90 0.33 -3.38 -2.00 0.00 0.00 174.74 167.10 2nwt s HIS 67 N -0.96 -0.27 -1.11 0.38 -3.43 -1.26 -5.04 115.29 103.61 2nwt s HIS 67 Ca 0.54 0.55 0.18 0.00 -0.80 0.00 0.00 55.06 55.53 2nwt s HIS 67 Cb -0.46 0.11 0.72 0.00 -1.43 0.00 0.00 32.58 31.52 2nwt s HIS 67 CO 0.59 -0.30 1.62 -2.39 -2.00 0.00 0.00 174.74 172.26 2nwt n HIS 68 N 1.98 1.51 -1.63 0.38 1.44 -1.26 -5.30 115.22 112.34 2nwt n HIS 68 Ca -0.18 -0.59 0.00 0.00 -2.01 0.00 0.00 57.72 54.94 2nwt n HIS 68 Cb 0.57 -0.26 0.00 0.00 0.12 0.00 0.00 29.99 30.42 2nwt n HIS 68 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11