#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o5u s VAL 3 N 0.00 4.11 -0.17 6.31 1.01 -1.26 -4.60 120.40 125.79 1o5u s VAL 3 Ca 0.00 1.40 -0.08 0.00 0.00 0.00 0.00 61.98 63.30 1o5u s VAL 3 Cb 0.00 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1o5u s VAL 3 CO 0.00 -0.06 0.10 -0.54 0.00 0.00 0.00 175.10 174.60 1o5u s LYS 4 N 2.92 3.87 -0.02 2.72 1.02 -0.84 -4.95 119.74 124.46 1o5u s LYS 4 Ca 0.58 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 56.33 1o5u s LYS 4 Cb -0.25 -3.27 0.02 0.00 -0.52 0.00 0.00 37.83 33.81 1o5u s LYS 4 CO 0.20 0.43 0.00 0.42 -0.92 0.00 0.00 175.35 175.49 1o5u s ILE 5 N -0.05 0.11 0.07 2.17 1.01 -1.26 -0.69 121.20 122.56 1o5u s ILE 5 Ca 0.09 0.08 -0.11 0.00 0.00 0.00 0.00 60.65 60.70 1o5u s ILE 5 Cb -0.12 -0.19 0.01 0.00 0.01 0.00 0.00 42.46 42.17 1o5u s ILE 5 CO 0.00 0.11 0.25 -1.83 0.00 0.00 0.00 174.94 173.47 1o5u s GLU 6 N 0.80 0.82 -0.53 2.79 -1.05 -0.52 -5.00 118.70 116.01 1o5u s GLU 6 Ca -0.07 -0.70 -0.22 0.00 -0.15 0.00 0.00 54.97 53.82 1o5u s GLU 6 Cb -0.11 0.35 0.05 0.00 -0.44 0.00 0.00 34.13 33.98 1o5u s GLU 6 CO -0.02 -0.26 0.81 0.15 0.95 0.00 0.00 175.26 176.89 1o5u s LYS 7 N -3.11 3.24 0.56 -4.83 -0.14 -1.26 -0.62 119.74 113.58 1o5u s LYS 7 Ca -0.01 -0.53 -0.18 0.00 -1.36 0.00 0.00 55.97 53.89 1o5u s LYS 7 Cb 0.01 -4.07 -0.05 0.00 -1.68 0.00 0.00 37.83 32.04 1o5u s LYS 7 CO -0.07 -1.38 1.07 -1.25 -0.76 0.00 0.00 175.35 172.97 1o5u s PRO 8 N 3.40 3.41 0.73 -1.68 0.04 -1.26 -5.01 135.00 134.62 1o5u s PRO 8 Ca 0.24 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 62.52 1o5u s PRO 8 Cb -0.15 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.39 1o5u s PRO 8 CO 0.16 -0.76 1.10 0.95 0.04 0.00 0.00 177.00 178.49 1o5u s THR 9 N -2.14 3.24 0.31 1.26 -4.23 -1.26 -4.85 115.64 107.97 1o5u s THR 9 Ca 0.67 0.48 0.04 0.00 -1.18 0.00 0.00 61.69 61.70 1o5u s THR 9 Cb -0.18 -2.97 0.30 0.00 1.34 0.00 0.00 72.50 70.99 1o5u s THR 9 CO 0.30 -0.46 1.85 -0.65 -0.54 0.00 0.00 174.62 175.12 1o5u h PRO 10 N -0.65 0.86 -0.51 3.99 0.11 -1.99 -1.64 132.00 132.17 1o5u h PRO 10 Ca -0.45 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 1o5u h PRO 10 Cb 1.24 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1o5u h PRO 10 CO 0.52 0.57 -0.04 1.49 -0.21 0.00 0.00 178.00 180.33 1o5u h GLU 11 N 0.88 0.93 -0.28 1.05 4.57 -1.98 0.19 114.58 119.93 1o5u h GLU 11 Ca 0.48 -0.31 -0.02 0.00 -1.18 0.00 0.00 59.36 58.32 1o5u h GLU 11 Cb 0.57 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 1o5u h GLU 11 CO -0.24 0.97 0.09 -0.22 -1.18 0.00 0.00 179.01 178.43 1o5u h LYS 12 N 0.79 0.44 -0.65 1.92 3.64 -1.81 0.19 116.57 121.09 1o5u h LYS 12 Ca 0.14 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1o5u h LYS 12 Cb 0.57 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1o5u h LYS 12 CO 0.03 0.49 0.42 1.25 -2.27 0.00 0.00 179.45 179.38 1o5u h LEU 13 N 0.30 0.73 -0.26 5.20 5.85 -1.19 -1.81 115.31 124.12 1o5u h LEU 13 Ca 0.09 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1o5u h LEU 13 Cb 0.23 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1o5u h LEU 13 CO -0.00 0.52 0.14 0.50 -0.34 0.00 0.00 178.44 179.26 1o5u h LYS 14 N 0.86 0.36 0.00 1.25 3.64 0.01 -2.85 116.57 119.85 1o5u h LYS 14 Ca 0.24 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1o5u h LYS 14 Cb -0.08 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1o5u h LYS 14 CO -0.06 0.34 -0.03 0.93 -2.27 0.00 0.00 179.45 178.36 1o5u h GLU 15 N 0.30 0.00 0.00 1.90 5.08 -0.42 -1.99 114.58 119.45 1o5u h GLU 15 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1o5u h GLU 15 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1o5u h GLU 15 CO -0.01 0.03 -0.16 -0.07 -1.00 0.00 0.00 179.01 177.80 1o5u h LEU 16 N 0.00 0.00 -1.76 1.33 3.38 -1.11 -3.48 115.31 113.67 1o5u h LEU 16 Ca -0.00 -0.02 -0.46 0.00 0.09 0.00 0.00 57.88 57.49 1o5u h LEU 16 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1o5u h LEU 16 CO 0.00 0.01 -0.85 -1.20 0.09 0.00 0.00 178.44 176.50 1o5u n SER 17 N -2.63 -1.10 0.31 -0.43 7.64 -0.75 -4.84 113.62 111.82 1o5u n SER 17 Ca 0.04 -0.90 0.19 0.00 1.01 0.00 0.00 58.87 59.21 1o5u n SER 17 Cb 0.48 -3.60 1.00 0.00 -1.01 0.00 0.00 64.21 61.08 1o5u n SER 17 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1o5u h VAL 18 N -1.86 0.19 0.00 0.44 -1.51 -1.84 -2.20 116.25 109.47 1o5u h VAL 18 Ca -0.62 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 1o5u h VAL 18 Cb 1.37 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.67 1o5u h VAL 18 CO 0.60 0.02 0.00 -1.84 -1.23 0.00 0.00 177.57 175.12 1o5u n GLU 19 N -3.32 0.19 0.00 5.19 0.00 -1.26 -1.25 120.64 120.19 1o5u n GLU 19 Ca -0.02 0.40 0.13 0.00 0.00 0.00 0.00 57.16 57.67 1o5u n GLU 19 Cb 0.14 -1.85 0.49 0.00 0.00 0.00 0.00 31.44 30.23 1o5u n GLU 19 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1o5u n LYS 20 N -2.20 0.59 -2.65 3.44 5.02 -0.83 -4.90 118.16 116.62 1o5u n LYS 20 Ca 0.02 -0.26 -0.34 0.00 -2.02 0.00 0.00 58.31 55.72 1o5u n LYS 20 Cb 0.24 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.71 1o5u n LYS 20 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1o5u s TRP 21 N -2.59 3.14 0.87 2.13 0.51 -0.38 -5.03 118.94 117.59 1o5u s TRP 21 Ca 0.24 1.60 -0.13 0.00 -2.12 0.00 0.00 56.10 55.69 1o5u s TRP 21 Cb 0.19 -2.98 0.06 0.00 -0.81 0.00 0.00 33.47 29.93 1o5u s TRP 21 CO 0.52 -0.53 0.80 -0.35 -0.51 0.00 0.00 176.95 176.88 1o5u n PRO 22 N -0.78 -0.12 -4.82 4.98 -0.04 -1.25 -4.62 135.00 128.35 1o5u n PRO 22 Ca 0.08 0.02 -0.33 0.00 -0.04 0.00 0.00 63.50 63.24 1o5u n PRO 22 Cb 0.53 -2.12 -0.13 0.00 -0.04 0.00 0.00 33.50 31.74 1o5u n PRO 22 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1o5u s ILE 23 N -2.31 3.21 -0.01 0.52 1.01 -1.26 -1.27 121.20 121.08 1o5u s ILE 23 Ca 0.65 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.68 1o5u s ILE 23 Cb -0.26 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 1o5u s ILE 23 CO 0.60 0.58 -0.13 0.86 0.00 0.00 0.00 174.94 176.85 1o5u s TRP 24 N -0.62 1.23 0.10 3.97 -0.00 0.04 -4.98 118.94 118.66 1o5u s TRP 24 Ca 0.09 -0.25 0.05 0.00 -0.00 0.00 0.00 56.10 55.99 1o5u s TRP 24 Cb -0.11 -0.80 -0.03 0.00 -0.00 0.00 0.00 33.47 32.52 1o5u s TRP 24 CO 0.01 -0.04 -0.12 -1.21 -0.00 0.00 0.00 176.95 175.59 1o5u s GLU 25 N -0.24 0.87 -0.17 5.86 2.02 -1.26 -0.81 118.70 124.98 1o5u s GLU 25 Ca 0.04 -1.12 -0.13 0.00 0.02 0.00 0.00 54.97 53.78 1o5u s GLU 25 Cb -0.06 -0.69 0.05 0.00 0.10 0.00 0.00 34.13 33.53 1o5u s GLU 25 CO -0.00 0.13 0.43 0.21 0.02 0.00 0.00 175.26 176.04 1o5u s LYS 26 N -2.48 0.47 0.88 1.61 2.47 -0.49 -4.99 119.74 117.21 1o5u s LYS 26 Ca 0.04 0.67 -0.14 0.00 -1.56 0.00 0.00 55.97 54.99 1o5u s LYS 26 Cb -0.05 0.15 0.13 0.00 -1.46 0.00 0.00 37.83 36.61 1o5u s LYS 26 CO 0.01 -0.09 1.24 -1.83 0.16 0.00 0.00 175.35 174.84 1o5u s GLU 27 N 0.64 1.37 0.17 4.03 1.03 -1.26 -0.73 118.70 123.94 1o5u s GLU 27 Ca -0.03 -0.11 -0.33 0.00 0.03 0.00 0.00 54.97 54.52 1o5u s GLU 27 Cb -0.05 -1.90 -0.13 0.00 -0.80 0.00 0.00 34.13 31.25 1o5u s GLU 27 CO -0.04 -1.97 1.62 0.28 -1.33 0.00 0.00 175.26 173.82 1o5u n VAL 28 N -3.52 0.02 -3.59 1.83 0.31 -1.26 -4.82 118.33 107.29 1o5u n VAL 28 Ca 0.11 -0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.48 1o5u n VAL 28 Cb 0.60 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 1o5u n VAL 28 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1o5u s SER 29 N 1.07 -0.01 -0.09 4.52 1.04 -1.15 -4.99 113.70 114.08 1o5u s SER 29 Ca 0.78 -0.02 -0.05 0.00 0.48 0.00 0.00 55.95 57.15 1o5u s SER 29 Cb -0.64 0.02 0.04 0.00 0.10 0.00 0.00 66.02 65.54 1o5u s SER 29 CO 0.37 -0.03 0.22 -0.70 0.98 0.00 0.00 173.24 174.07 1o5u s GLU 30 N -2.04 0.17 -0.08 4.02 2.12 -1.26 -0.12 118.70 121.52 1o5u s GLU 30 Ca 0.16 0.49 -0.31 0.00 0.36 0.00 0.00 54.97 55.68 1o5u s GLU 30 Cb 0.07 -0.14 0.09 0.00 0.26 0.00 0.00 34.13 34.41 1o5u s GLU 30 CO -0.06 -0.17 0.77 -0.59 -0.54 0.00 0.00 175.26 174.67 1o5u s PHE 31 N 1.29 -0.57 0.38 5.30 -0.12 -0.26 -5.00 117.98 118.99 1o5u s PHE 31 Ca -0.09 0.96 -0.24 0.00 -0.05 0.00 0.00 56.93 57.51 1o5u s PHE 31 Cb -0.11 0.43 -0.10 0.00 -0.63 0.00 0.00 43.02 42.61 1o5u s PHE 31 CO -0.08 -0.53 0.99 -0.51 -0.05 0.00 0.00 175.22 175.03 1o5u s ASP 32 N -1.20 7.01 0.02 1.98 1.01 -1.26 -0.52 116.67 123.70 1o5u s ASP 32 Ca -0.08 1.88 0.02 0.00 0.71 0.00 0.00 52.55 55.08 1o5u s ASP 32 Cb -0.00 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 1o5u s ASP 32 CO 0.07 -0.31 -0.06 0.86 0.21 0.00 0.00 175.17 175.94 1o5u s TRP 33 N -1.76 0.55 -0.10 4.23 -0.11 0.40 -4.89 118.94 117.25 1o5u s TRP 33 Ca 0.56 -0.34 0.02 0.00 1.22 0.00 0.00 56.10 57.56 1o5u s TRP 33 Cb -0.18 -0.34 0.01 0.00 -1.50 0.00 0.00 33.47 31.47 1o5u s TRP 33 CO 0.23 -0.06 -0.18 -0.47 -4.62 0.00 0.00 176.95 171.85 1o5u s TYR 34 N -0.90 2.14 -0.57 5.86 5.04 -1.26 -1.32 117.35 126.34 1o5u s TYR 34 Ca -0.06 -0.96 -0.22 0.00 -2.44 0.00 0.00 57.07 53.39 1o5u s TYR 34 Cb -0.07 -1.50 0.06 0.00 0.35 0.00 0.00 41.96 40.81 1o5u s TYR 34 CO 0.00 -0.46 0.83 0.71 -1.34 0.00 0.00 175.55 175.30 1o5u s TYR 35 N 0.76 2.85 0.29 4.97 1.51 -0.45 -4.86 117.35 122.42 1o5u s TYR 35 Ca -0.11 -0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 55.53 1o5u s TYR 35 Cb -0.16 -3.98 0.44 0.00 -0.11 0.00 0.00 41.96 38.14 1o5u s TYR 35 CO 0.02 -1.35 1.84 -0.44 -1.11 0.00 0.00 175.55 174.51 1o5u h ASP 36 N 9.29 0.74 -2.36 2.29 3.32 -1.91 0.23 116.42 128.01 1o5u h ASP 36 Ca -0.28 -0.12 -0.56 0.00 0.02 0.00 0.00 57.03 56.09 1o5u h ASP 36 Cb 1.08 -0.19 -0.13 0.00 0.22 0.00 0.00 39.33 40.30 1o5u h ASP 36 CO 1.08 0.72 -0.60 0.42 -1.72 0.00 0.00 179.24 179.15 1o5u s THR 37 N -5.23 1.56 0.62 0.35 -4.23 -1.26 -4.72 115.64 102.73 1o5u s THR 37 Ca -0.10 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.23 1o5u s THR 37 Cb 0.16 -2.85 -0.02 0.00 1.34 0.00 0.00 72.50 71.12 1o5u s THR 37 CO 0.79 0.00 1.22 0.20 -0.54 0.00 0.00 174.62 176.29 1o5u s ASN 38 N -3.61 4.99 -0.14 3.99 0.01 -1.26 -3.58 114.94 115.33 1o5u s ASN 38 Ca 0.34 2.40 -0.08 0.00 -0.71 0.00 0.00 52.86 54.81 1o5u s ASN 38 Cb 0.09 -2.60 0.05 0.00 0.41 0.00 0.00 41.25 39.20 1o5u s ASN 38 CO 0.16 -1.73 0.34 -0.70 -1.51 0.00 0.00 177.10 173.66 1o5u s GLU 39 N -3.43 0.33 -0.11 -0.60 2.12 -0.21 -1.69 118.70 115.10 1o5u s GLU 39 Ca 0.77 0.65 0.00 0.00 0.36 0.00 0.00 54.97 56.76 1o5u s GLU 39 Cb -0.31 -0.03 -0.02 0.00 0.26 0.00 0.00 34.13 34.03 1o5u s GLU 39 CO 0.36 -0.14 -0.12 0.99 -0.54 0.00 0.00 175.26 175.80 1o5u s THR 40 N 1.18 3.21 -0.05 -1.70 2.01 -0.50 -0.02 115.64 119.78 1o5u s THR 40 Ca -0.08 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.33 1o5u s THR 40 Cb -0.08 -2.33 0.00 0.00 0.01 0.00 0.00 72.50 70.10 1o5u s THR 40 CO -0.09 0.54 -0.15 0.00 -0.69 0.00 0.00 174.62 174.22 1o5u s TYR 42 N 0.18 3.04 -0.34 0.00 6.14 0.45 -0.56 117.35 126.26 1o5u s TYR 42 Ca -0.06 -0.59 -0.24 0.00 0.64 0.00 0.00 57.07 56.82 1o5u s TYR 42 Cb -0.12 -2.18 0.01 0.00 0.42 0.00 0.00 41.96 40.09 1o5u s TYR 42 CO 0.02 -0.40 0.84 0.42 0.64 0.00 0.00 175.55 177.07 1o5u s ILE 43 N 1.50 4.70 -0.01 3.14 -1.09 -0.35 -1.25 121.20 127.85 1o5u s ILE 43 Ca 0.06 1.14 -0.09 0.00 -2.23 0.00 0.00 60.65 59.52 1o5u s ILE 43 Cb -0.15 -4.23 -0.31 0.00 -1.58 0.00 0.00 42.46 36.19 1o5u s ILE 43 CO 0.01 -0.39 0.83 -0.07 -1.23 0.00 0.00 174.94 174.09 1o5u h LEU 44 N 9.73 0.59 -7.44 2.97 3.38 -1.06 0.12 115.31 123.61 1o5u h LEU 44 Ca -0.24 -0.78 -0.10 0.00 0.09 0.00 0.00 57.88 56.85 1o5u h LEU 44 Cb 1.09 -0.19 -0.19 0.00 0.09 0.00 0.00 40.66 41.46 1o5u h LEU 44 CO 0.93 1.64 -0.19 -1.61 0.09 0.00 0.00 178.44 179.30 1o5u s GLU 45 N -2.60 0.78 0.00 1.13 0.41 -0.98 -4.70 118.70 112.73 1o5u s GLU 45 Ca -0.12 -0.22 0.00 0.00 -0.41 0.00 0.00 54.97 54.23 1o5u s GLU 45 Cb 0.06 0.35 0.00 0.00 -1.78 0.00 0.00 34.13 32.75 1o5u s GLU 45 CO 0.88 -0.23 0.00 0.41 -0.49 0.00 0.00 175.26 175.82 1o5u n GLY 46 N 0.99 -0.84 3.53 -1.39 0.00 -1.21 -1.34 105.19 104.94 1o5u n GLY 46 Ca -0.20 -2.23 -0.08 0.00 0.00 0.00 0.00 46.02 43.51 1o5u n GLY 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o5u s LYS 47 N -0.54 0.61 -0.01 1.61 2.20 -1.00 -2.47 119.74 120.15 1o5u s LYS 47 Ca 0.00 1.12 0.01 0.00 -0.36 0.00 0.00 55.97 56.74 1o5u s LYS 47 Cb 0.00 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.47 1o5u s LYS 47 CO 0.00 -0.16 -0.03 0.08 -0.36 0.00 0.00 175.35 174.88 1o5u s VAL 48 N 1.67 0.29 -0.27 4.02 1.01 -0.22 -0.62 120.40 126.28 1o5u s VAL 48 Ca -0.09 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 1o5u s VAL 48 Cb -0.06 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 1o5u s VAL 48 CO -0.18 0.10 0.22 -1.61 0.00 0.00 0.00 175.10 173.63 1o5u s GLU 49 N 0.15 3.98 -0.14 2.72 2.02 0.00 -0.90 118.70 126.52 1o5u s GLU 49 Ca -0.01 -0.25 -0.03 0.00 0.02 0.00 0.00 54.97 54.69 1o5u s GLU 49 Cb -0.04 -3.64 -0.03 0.00 0.10 0.00 0.00 34.13 30.52 1o5u s GLU 49 CO -0.00 -0.16 -0.03 0.08 0.02 0.00 0.00 175.26 175.17 1o5u s VAL 50 N 1.70 4.00 -0.17 2.63 1.01 0.21 -0.88 120.40 128.90 1o5u s VAL 50 Ca 0.08 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1o5u s VAL 50 Cb -0.16 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.50 1o5u s VAL 50 CO 0.10 0.51 -0.20 -0.89 0.00 0.00 0.00 175.10 174.62 1o5u s THR 51 N 0.15 2.01 0.80 3.92 2.01 -0.57 -1.46 115.64 122.50 1o5u s THR 51 Ca -0.01 -0.92 -0.12 0.00 0.31 0.00 0.00 61.69 60.96 1o5u s THR 51 Cb -0.13 -1.81 0.07 0.00 0.01 0.00 0.00 72.50 70.64 1o5u s THR 51 CO 0.03 0.53 1.12 0.42 -0.69 0.00 0.00 174.62 176.03 1o5u s THR 52 N 1.21 2.75 0.36 -0.82 -4.23 0.20 -0.65 115.64 114.46 1o5u s THR 52 Ca 0.02 0.24 0.09 0.00 -1.18 0.00 0.00 61.69 60.87 1o5u s THR 52 Cb -0.14 -3.09 0.33 0.00 1.34 0.00 0.00 72.50 70.94 1o5u s THR 52 CO -0.10 -0.32 1.86 -0.08 -0.54 0.00 0.00 174.62 175.43 1o5u h GLU 53 N -1.07 0.65 -0.31 3.99 4.81 -1.15 -0.15 114.58 121.35 1o5u h GLU 53 Ca -0.47 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1o5u h GLU 53 Cb 1.29 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1o5u h GLU 53 CO 0.62 0.43 0.00 -0.40 -0.73 0.00 0.00 179.01 178.93 1o5u n ASP 54 N -4.58 1.62 0.00 1.04 5.68 -1.26 -4.92 116.55 114.14 1o5u n ASP 54 Ca 0.18 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 1o5u n ASP 54 Cb 0.51 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 1o5u n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1o5u n GLY 55 N 0.96 0.59 3.77 6.12 0.00 -0.07 -5.06 105.19 111.49 1o5u n GLY 55 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1o5u n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o5u s LYS 56 N -0.88 4.40 -0.04 1.61 1.02 -1.26 -4.71 119.74 119.88 1o5u s LYS 56 Ca 0.00 1.69 0.05 0.00 0.02 0.00 0.00 55.97 57.73 1o5u s LYS 56 Cb 0.00 -2.89 -0.01 0.00 -0.52 0.00 0.00 37.83 34.41 1o5u s LYS 56 CO 0.00 0.03 -0.20 0.15 -0.92 0.00 0.00 175.35 174.41 1o5u s LYS 57 N -1.93 1.96 0.03 1.68 1.02 -1.26 -0.63 119.74 120.61 1o5u s LYS 57 Ca 0.51 -0.70 -0.04 0.00 0.02 0.00 0.00 55.97 55.76 1o5u s LYS 57 Cb -0.28 -1.71 -0.01 0.00 -0.52 0.00 0.00 37.83 35.31 1o5u s LYS 57 CO 0.36 0.31 0.06 0.71 -0.92 0.00 0.00 175.35 175.86 1o5u s TYR 58 N -0.08 0.22 -0.04 3.18 2.02 -0.53 -5.00 117.35 117.11 1o5u s TYR 58 Ca -0.02 -0.50 0.07 0.00 -0.37 0.00 0.00 57.07 56.25 1o5u s TYR 58 Cb -0.12 -0.16 -0.02 0.00 -0.40 0.00 0.00 41.96 41.27 1o5u s TYR 58 CO 0.02 -0.31 -0.25 0.08 -1.57 0.00 0.00 175.55 173.52 1o5u s VAL 59 N -2.20 2.08 0.01 0.71 1.01 -1.26 -0.62 120.40 120.13 1o5u s VAL 59 Ca -0.09 -1.08 0.06 0.00 0.00 0.00 0.00 61.98 60.88 1o5u s VAL 59 Cb -0.04 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 1o5u s VAL 59 CO -0.03 0.58 -0.20 0.27 0.00 0.00 0.00 175.10 175.72 1o5u s ILE 60 N -0.38 1.58 0.36 2.22 -4.36 -0.08 -5.00 121.20 115.53 1o5u s ILE 60 Ca 0.03 -0.96 -0.05 0.00 -0.26 0.00 0.00 60.65 59.41 1o5u s ILE 60 Cb -0.12 -1.33 0.01 0.00 1.25 0.00 0.00 42.46 42.27 1o5u s ILE 60 CO 0.01 0.35 0.55 -1.83 0.24 0.00 0.00 174.94 174.26 1o5u s GLU 61 N -0.72 2.01 0.21 0.37 -1.05 -1.26 -1.06 118.70 117.21 1o5u s GLU 61 Ca 0.07 -1.72 -0.31 0.00 -0.15 0.00 0.00 54.97 52.86 1o5u s GLU 61 Cb -0.08 0.48 -0.15 0.00 -0.44 0.00 0.00 34.13 33.95 1o5u s GLU 61 CO 0.00 -0.86 1.20 1.17 0.95 0.00 0.00 175.26 177.72 1o5u n LYS 62 N -0.57 1.44 -0.22 -4.83 4.81 -1.03 -1.61 118.16 116.14 1o5u n LYS 62 Ca -0.01 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 1o5u n LYS 62 Cb 0.61 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.63 1o5u n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1o5u n GLY 63 N 1.88 1.19 3.80 3.14 0.00 0.41 -5.02 105.19 110.59 1o5u n GLY 63 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1o5u n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1o5u s ASP 64 N -3.01 7.19 -0.26 1.61 -0.00 -0.64 -4.34 116.67 117.22 1o5u s ASP 64 Ca 0.00 1.62 -0.07 0.00 -0.00 0.00 0.00 52.55 54.10 1o5u s ASP 64 Cb 0.00 -2.50 -0.02 0.00 -0.00 0.00 0.00 42.92 40.40 1o5u s ASP 64 CO 0.00 -0.02 0.07 -0.22 -0.00 0.00 0.00 175.17 175.00 1o5u s LEU 65 N -2.03 3.51 -0.04 1.23 2.96 0.21 -1.21 118.68 123.32 1o5u s LEU 65 Ca 0.47 -0.32 0.05 0.00 -0.22 0.00 0.00 54.13 54.11 1o5u s LEU 65 Cb -0.17 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 1o5u s LEU 65 CO 0.22 -0.07 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.29 1o5u s VAL 66 N 1.59 1.66 -0.15 1.68 1.01 0.28 -1.44 120.40 125.03 1o5u s VAL 66 Ca 0.06 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1o5u s VAL 66 Cb -0.15 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.83 1o5u s VAL 66 CO 0.03 0.47 -0.20 -0.89 0.00 0.00 0.00 175.10 174.51 1o5u s THR 67 N -0.12 1.95 -0.17 3.92 2.01 0.14 -0.61 115.64 122.76 1o5u s THR 67 Ca -0.02 -0.90 -0.07 0.00 0.31 0.00 0.00 61.69 61.02 1o5u s THR 67 Cb -0.12 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 1o5u s THR 67 CO 0.02 0.53 0.06 -0.36 -0.69 0.00 0.00 174.62 174.18 1o5u s PHE 68 N 1.04 3.27 0.31 4.92 0.40 0.98 -1.98 117.98 126.92 1o5u s PHE 68 Ca -0.02 0.12 -0.21 0.00 -0.60 0.00 0.00 56.93 56.22 1o5u s PHE 68 Cb -0.14 -2.04 -0.09 0.00 0.51 0.00 0.00 43.02 41.25 1o5u s PHE 68 CO -0.06 0.23 0.84 -1.25 0.70 0.00 0.00 175.22 175.68 1o5u s PRO 69 N 0.13 4.29 0.17 0.24 0.04 -1.26 -1.05 135.00 137.57 1o5u s PRO 69 Ca 0.05 1.01 -0.33 0.00 0.04 0.00 0.00 61.00 61.77 1o5u s PRO 69 Cb -0.12 -2.62 -0.16 0.00 0.04 0.00 0.00 34.50 31.64 1o5u s PRO 69 CO 0.01 0.23 1.17 1.17 0.04 0.00 0.00 177.00 179.61 1o5u n LYS 70 N 0.18 1.16 -0.21 4.56 4.81 -1.23 -2.21 118.16 125.22 1o5u n LYS 70 Ca 0.02 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 1o5u n LYS 70 Cb 0.52 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 33.65 1o5u n LYS 70 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1o5u n GLY 71 N 2.03 0.99 3.72 3.14 0.00 0.81 -4.95 105.19 110.92 1o5u n GLY 71 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1o5u n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1o5u s LEU 72 N 0.00 4.38 -0.14 0.99 2.96 -0.94 -4.83 118.68 121.11 1o5u s LEU 72 Ca 0.00 2.01 -0.03 0.00 -0.22 0.00 0.00 54.13 55.89 1o5u s LEU 72 Cb 0.00 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.08 1o5u s LEU 72 CO 0.00 -0.43 -0.04 -0.60 -1.32 0.00 0.00 176.35 173.95 1o5u s ARG 73 N 0.90 3.53 0.31 1.98 3.52 -1.26 -1.34 118.95 126.59 1o5u s ARG 73 Ca 0.57 -0.52 -0.10 0.00 -0.13 0.00 0.00 55.73 55.55 1o5u s ARG 73 Cb -0.29 -2.86 0.01 0.00 -1.56 0.00 0.00 34.95 30.25 1o5u s ARG 73 CO 0.30 0.31 0.54 0.00 -0.81 0.00 0.00 175.30 175.64 1o5u s ARG 75 N -3.34 2.76 -0.10 0.00 3.52 0.18 -0.45 118.95 121.52 1o5u s ARG 75 Ca 0.24 -0.79 -0.16 0.00 -0.13 0.00 0.00 55.73 54.89 1o5u s ARG 75 Cb -0.01 -2.12 -0.05 0.00 -1.56 0.00 0.00 34.95 31.21 1o5u s ARG 75 CO 0.14 0.16 0.42 -1.58 -0.81 0.00 0.00 175.30 173.63 1o5u s TRP 76 N 0.38 3.56 -0.31 5.12 0.52 0.32 -1.52 118.94 127.00 1o5u s TRP 76 Ca -0.17 0.85 0.04 0.00 0.02 0.00 0.00 56.10 56.83 1o5u s TRP 76 Cb -0.17 -2.44 0.09 0.00 -1.15 0.00 0.00 33.47 29.80 1o5u s TRP 76 CO 0.08 0.31 0.00 0.21 0.02 0.00 0.00 176.95 177.57 1o5u s LYS 77 N 0.14 1.70 -0.46 4.98 2.20 -0.06 -1.10 119.74 127.14 1o5u s LYS 77 Ca 0.23 -1.70 -0.26 0.00 -0.36 0.00 0.00 55.97 53.88 1o5u s LYS 77 Cb -0.15 -3.09 0.03 0.00 -1.51 0.00 0.00 37.83 33.10 1o5u s LYS 77 CO 0.10 -0.82 0.98 0.08 -0.36 0.00 0.00 175.35 175.32 1o5u s VAL 78 N 0.97 4.42 -0.12 4.02 1.01 0.84 -0.82 120.40 130.72 1o5u s VAL 78 Ca 0.05 0.91 0.01 0.00 0.00 0.00 0.00 61.98 62.95 1o5u s VAL 78 Cb -0.19 -4.47 -0.24 0.00 0.00 0.00 0.00 36.38 31.48 1o5u s VAL 78 CO -0.07 -0.85 0.35 0.18 0.00 0.00 0.00 175.10 174.71 1o5u n LEU 79 N 7.30 2.06 -4.18 3.92 4.77 0.21 -2.94 117.00 128.15 1o5u n LEU 79 Ca 0.08 0.21 -0.27 0.00 -0.03 0.00 0.00 56.01 55.99 1o5u n LEU 79 Cb 0.49 -0.66 -0.16 0.00 -2.33 0.00 0.00 43.42 40.76 1o5u n LEU 79 CO 0.65 0.72 -0.52 -1.61 -1.33 0.00 0.00 177.39 175.31 1o5u s GLU 80 N -2.56 1.89 0.12 3.23 2.02 -0.84 -4.91 118.70 117.66 1o5u s GLU 80 Ca -0.19 -0.69 -0.35 0.00 0.02 0.00 0.00 54.97 53.77 1o5u s GLU 80 Cb 0.07 -1.67 -0.17 0.00 0.10 0.00 0.00 34.13 32.47 1o5u s GLU 80 CO 0.77 0.31 1.20 -2.30 0.02 0.00 0.00 175.26 175.26 1o5u n PRO 81 N 2.99 1.00 -4.08 0.39 -0.02 -1.26 -2.36 135.00 131.65 1o5u n PRO 81 Ca -0.17 0.36 -0.36 0.00 -2.02 0.00 0.00 63.50 61.30 1o5u n PRO 81 Cb 0.53 -1.90 -0.07 0.00 -0.02 0.00 0.00 33.50 32.03 1o5u n PRO 81 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1o5u s VAL 82 N 0.08 5.02 -0.06 -1.45 1.01 0.09 -3.34 120.40 121.74 1o5u s VAL 82 Ca 0.79 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.81 1o5u s VAL 82 Cb -0.94 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 32.30 1o5u s VAL 82 CO 0.51 0.61 -0.07 -0.60 0.00 0.00 0.00 175.10 175.55 1o5u s ARG 83 N -0.95 1.15 0.03 2.72 3.52 -0.45 -1.40 118.95 123.58 1o5u s ARG 83 Ca 0.14 -0.21 -0.09 0.00 -0.13 0.00 0.00 55.73 55.44 1o5u s ARG 83 Cb -0.12 -1.08 0.00 0.00 -1.56 0.00 0.00 34.95 32.19 1o5u s ARG 83 CO 0.03 -0.07 0.19 -1.59 -0.81 0.00 0.00 175.30 173.05 1o5u s LYS 84 N 0.93 0.65 0.09 5.12 -2.85 0.01 -0.38 119.74 123.32 1o5u s LYS 84 Ca -0.10 -0.58 -0.17 0.00 -1.00 0.00 0.00 55.97 54.12 1o5u s LYS 84 Cb -0.15 0.27 -0.07 0.00 -2.06 0.00 0.00 37.83 35.83 1o5u s LYS 84 CO 0.01 -0.18 0.55 -1.01 0.10 0.00 0.00 175.35 174.81 1o5u s HIS 85 N -2.31 3.73 0.01 1.78 3.76 -0.38 -0.78 115.29 121.09 1o5u s HIS 85 Ca -0.07 1.18 -0.02 0.00 -0.15 0.00 0.00 55.06 56.00 1o5u s HIS 85 Cb -0.02 -2.43 -0.01 0.00 1.11 0.00 0.00 32.58 31.22 1o5u s HIS 85 CO -0.03 0.54 0.02 1.52 -0.85 0.00 0.00 174.74 175.94 1o5u s TYR 86 N -1.23 0.13 -0.09 1.40 -0.85 -0.40 -0.41 117.35 115.91 1o5u s TYR 86 Ca 0.31 -0.28 -0.02 0.00 -0.52 0.00 0.00 57.07 56.57 1o5u s TYR 86 Cb -0.18 -0.11 0.03 0.00 0.38 0.00 0.00 41.96 42.09 1o5u s TYR 86 CO 0.18 -0.16 0.01 1.21 -1.52 0.00 0.00 175.55 175.28 1o5u s ASN 87 N -1.01 1.74 0.10 -0.18 2.47 0.32 -3.80 114.94 114.59 1o5u s ASN 87 Ca -0.11 -0.17 -0.22 0.00 0.42 0.00 0.00 52.86 52.78 1o5u s ASN 87 Cb -0.07 -0.44 -0.07 0.00 -1.45 0.00 0.00 41.25 39.22 1o5u s ASN 87 CO -0.00 -0.21 0.65 -0.76 -3.72 0.00 0.00 177.10 173.05 1o5u s LEU 88 N 1.97 4.55 0.00 3.21 1.43 -1.26 -1.40 118.68 127.17 1o5u s LEU 88 Ca 0.04 1.40 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 1o5u s LEU 88 Cb -0.13 -3.04 0.00 0.00 0.03 0.00 0.00 46.19 43.05 1o5u s LEU 88 CO -0.06 0.24 0.00 2.22 0.23 0.00 0.00 176.35 178.99