#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gji s ALA 2 N 0.00 2.79 0.90 -5.12 0.00 -1.26 -5.10 121.76 113.97 2gji s ALA 2 Ca 0.00 -3.15 -0.14 0.00 0.00 0.00 0.00 51.96 48.67 2gji s ALA 2 Cb 0.00 -1.96 0.02 0.00 0.00 0.00 0.00 23.12 21.17 2gji s ALA 2 CO 0.00 -2.05 0.41 0.25 0.00 0.00 0.00 175.76 174.37 2gji n THR 3 N 2.68 0.42 -3.66 0.00 -2.24 -1.26 -4.14 114.28 106.07 2gji n THR 3 Ca 0.18 -0.24 -0.17 0.00 -2.27 0.00 0.00 64.05 61.55 2gji n THR 3 Cb 0.38 -0.64 -0.16 0.00 -2.10 0.00 0.00 70.33 67.81 2gji n THR 3 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2gji s PHE 4 N -2.28 -0.18 -0.04 4.78 2.19 -1.19 -4.85 117.98 116.40 2gji s PHE 4 Ca 0.58 0.58 0.04 0.00 0.33 0.00 0.00 56.93 58.47 2gji s PHE 4 Cb -0.24 -0.27 -0.00 0.00 -1.31 0.00 0.00 43.02 41.20 2gji s PHE 4 CO 0.66 -0.29 -0.16 -1.14 1.83 0.00 0.00 175.22 176.12 2gji s GLN 5 N 2.29 1.70 -0.04 10.12 -0.44 -1.26 -0.09 119.66 131.94 2gji s GLN 5 Ca 0.03 -0.56 -0.01 0.00 -2.50 0.00 0.00 55.36 52.32 2gji s GLN 5 Cb -0.12 -1.47 0.03 0.00 -1.64 0.00 0.00 33.01 29.81 2gji s GLN 5 CO -0.06 0.20 0.08 -0.08 0.50 0.00 0.00 175.29 175.93 2gji s THR 6 N 0.14 -0.08 -0.52 -0.34 -1.32 -0.84 -5.00 115.64 107.67 2gji s THR 6 Ca -0.05 0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.68 2gji s THR 6 Cb -0.12 -0.15 0.48 0.00 -1.51 0.00 0.00 72.50 71.19 2gji s THR 6 CO 0.02 0.10 1.95 -0.90 -2.21 0.00 0.00 174.62 173.58 2gji n ASP 7 N 4.44 5.94 -3.72 8.08 5.68 -1.26 -1.47 116.55 134.23 2gji n ASP 7 Ca -0.22 -3.55 -0.03 0.00 -0.50 0.00 0.00 54.79 50.48 2gji n ASP 7 Cb 0.50 -0.92 -0.01 0.00 -1.14 0.00 0.00 41.12 39.55 2gji n ASP 7 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2gji s ALA 8 N -3.21 -1.73 0.90 2.12 0.00 -1.26 -4.96 121.76 113.63 2gji s ALA 8 Ca 0.55 0.27 -0.13 0.00 0.00 0.00 0.00 51.96 52.65 2gji s ALA 8 Cb 0.44 0.59 0.03 0.00 0.00 0.00 0.00 23.12 24.18 2gji s ALA 8 CO 0.03 -1.01 0.50 -0.25 0.00 0.00 0.00 175.76 175.04 2gji n ASP 9 N -0.45 -1.67 -3.74 0.00 8.00 -1.26 -4.79 116.55 112.64 2gji n ASP 9 Ca -0.06 0.39 -0.10 0.00 0.71 0.00 0.00 54.79 55.73 2gji n ASP 9 Cb 0.61 -1.24 -0.05 0.00 -0.02 0.00 0.00 41.12 40.42 2gji n ASP 9 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2gji s PHE 10 N -2.31 -0.03 0.16 1.24 -0.12 -0.84 -3.00 117.98 113.07 2gji s PHE 10 Ca 0.60 -0.32 0.04 0.00 -0.05 0.00 0.00 56.93 57.20 2gji s PHE 10 Cb -0.24 0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.28 2gji s PHE 10 CO 0.65 -0.70 0.18 -0.51 -0.05 0.00 0.00 175.22 174.79 2gji s LEU 11 N -2.85 3.97 -0.06 -1.99 1.43 0.85 -0.21 118.68 119.81 2gji s LEU 11 Ca 0.06 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 2gji s LEU 11 Cb 0.02 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.69 2gji s LEU 11 CO -0.09 0.07 -0.09 -0.22 0.23 0.00 0.00 176.35 176.24 2gji s LEU 12 N -3.13 1.51 -0.15 1.79 2.96 0.88 -0.41 118.68 122.13 2gji s LEU 12 Ca 0.32 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 2gji s LEU 12 Cb -0.10 -0.71 0.00 0.00 0.50 0.00 0.00 46.19 45.88 2gji s LEU 12 CO 0.25 -0.00 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.40 2gji s VAL 13 N 0.82 2.40 0.00 1.68 1.01 -0.66 -1.97 120.40 123.68 2gji s VAL 13 Ca -0.12 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.00 2gji s VAL 13 Cb -0.15 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.23 2gji s VAL 13 CO 0.02 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2gji n GLY 14 N 4.11 3.20 1.37 4.51 0.00 -1.23 -1.78 105.19 115.38 2gji n GLY 14 Ca -0.20 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 45.88 2gji n GLY 14 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gji n ASP 15 N 0.00 4.68 -3.52 1.61 2.03 -1.26 -4.89 116.55 115.20 2gji n ASP 15 Ca 0.00 -3.02 -0.22 0.00 0.52 0.00 0.00 54.79 52.07 2gji n ASP 15 Cb 0.00 -0.62 0.03 0.00 -0.72 0.00 0.00 41.12 39.81 2gji n ASP 15 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2gji n ASP 16 N -0.05 -5.95 -4.78 1.67 -0.08 -1.26 -4.94 116.55 101.17 2gji n ASP 16 Ca 0.25 -0.77 -0.39 0.00 -1.51 0.00 0.00 54.79 52.37 2gji n ASP 16 Cb 1.05 -3.73 -0.06 0.00 2.34 0.00 0.00 41.12 40.73 2gji n ASP 16 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2gji s THR 17 N -3.28 4.31 -0.14 5.18 -4.23 -1.26 -4.94 115.64 111.28 2gji s THR 17 Ca 0.30 1.76 0.28 0.00 -1.18 0.00 0.00 61.69 62.85 2gji s THR 17 Cb -0.10 -4.14 0.30 0.00 1.34 0.00 0.00 72.50 69.91 2gji s THR 17 CO 0.83 0.45 1.85 -1.28 -0.54 0.00 0.00 174.62 175.93 2gji h SER 18 N 4.09 0.00 -0.15 3.99 0.87 -2.01 -1.43 113.55 118.91 2gji h SER 18 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2gji h SER 18 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2gji h SER 18 CO 0.66 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 177.50 2gji n ARG 19 N -2.55 1.45 -0.33 2.24 3.00 -1.26 -4.07 116.66 115.14 2gji n ARG 19 Ca 0.00 -0.69 0.06 0.00 -0.01 0.00 0.00 57.85 57.21 2gji n ARG 19 Cb 0.19 -1.26 0.25 0.00 0.00 0.00 0.00 32.46 31.64 2gji n ARG 19 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.63 177.73 2gji h TYR 20 N 1.26 1.07 -0.23 -1.55 -0.00 -1.66 0.20 116.97 116.06 2gji h TYR 20 Ca 0.00 0.03 -0.18 0.00 -0.00 0.00 0.00 58.73 58.58 2gji h TYR 20 Cb 0.28 -0.35 0.00 0.00 -0.00 0.00 0.00 36.73 36.67 2gji h TYR 20 CO 0.10 0.49 -0.56 1.05 -0.00 0.00 0.00 178.16 179.24 2gji h GLU 21 N 0.99 0.79 -0.17 0.10 4.11 -1.83 -2.60 114.58 115.96 2gji h GLU 21 Ca 0.44 -0.54 -0.02 0.00 0.07 0.00 0.00 59.36 59.31 2gji h GLU 21 Cb 0.37 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2gji h GLU 21 CO -0.20 1.16 0.03 1.49 0.07 0.00 0.00 179.01 181.56 2gji h GLU 22 N 0.53 0.29 -0.74 1.06 4.81 -1.59 0.24 114.58 119.17 2gji h GLU 22 Ca -0.00 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2gji h GLU 22 Cb 1.17 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.47 2gji h GLU 22 CO 0.12 0.46 0.46 0.28 -0.73 0.00 0.00 179.01 179.60 2gji h VAL 23 N 0.07 1.08 -0.14 0.32 2.07 -0.70 -2.39 116.25 116.56 2gji h VAL 23 Ca 0.05 -0.30 -0.20 0.00 0.82 0.00 0.00 66.70 67.06 2gji h VAL 23 Cb 0.31 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2gji h VAL 23 CO 0.00 0.16 -0.73 0.24 0.02 0.00 0.00 177.57 177.26 2gji h MET 24 N 0.89 0.65 -0.48 1.57 2.86 -1.36 -3.08 114.93 115.98 2gji h MET 24 Ca 0.31 -0.51 0.14 0.00 -2.06 0.00 0.00 59.70 57.57 2gji h MET 24 Cb 0.06 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 2gji h MET 24 CO -0.13 1.13 0.39 0.87 1.06 0.00 0.00 176.91 180.23 2gji h LYS 25 N 0.45 0.00 -0.02 1.72 6.56 -0.03 0.15 116.57 125.40 2gji h LYS 25 Ca -0.04 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.56 2gji h LYS 25 Cb 1.34 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 33.00 2gji h LYS 25 CO 0.14 0.00 0.08 1.79 -2.06 0.00 0.00 179.45 179.41 2gji h THR 26 N 0.00 0.14 -3.64 -0.16 1.35 -1.39 -3.38 112.91 105.84 2gji h THR 26 Ca 0.23 0.00 -0.69 0.00 -0.55 0.00 0.00 66.41 65.40 2gji h THR 26 Cb 1.00 0.92 -0.23 0.00 -1.73 0.00 0.00 68.15 68.11 2gji h THR 26 CO -0.00 0.00 -0.53 -0.36 -0.25 0.00 0.00 175.52 174.38 2gji s PHE 27 N -4.27 3.20 0.56 4.73 0.40 0.53 -4.95 117.98 118.18 2gji s PHE 27 Ca -0.05 -0.64 0.28 0.00 -0.60 0.00 0.00 56.93 55.92 2gji s PHE 27 Cb 0.13 -2.40 1.48 0.00 0.51 0.00 0.00 43.02 42.74 2gji s PHE 27 CO 0.42 -0.50 1.97 0.38 0.70 0.00 0.00 175.22 178.19 2gji h ASP 28 N 8.40 0.00 -0.07 1.36 3.04 -1.83 0.13 116.42 127.45 2gji h ASP 28 Ca -0.30 0.00 0.02 0.00 -3.24 0.00 0.00 57.03 53.51 2gji h ASP 28 Cb 1.13 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.42 2gji h ASP 28 CO 0.64 0.00 0.05 0.71 -2.04 0.00 0.00 179.24 178.60 2gji h THR 29 N 0.00 0.94 -2.88 1.15 1.35 -1.91 -3.41 112.91 108.15 2gji h THR 29 Ca 0.23 0.00 -0.55 0.00 -0.55 0.00 0.00 66.41 65.54 2gji h THR 29 Cb 1.04 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.42 2gji h THR 29 CO -0.00 0.00 0.87 -0.69 -0.25 0.00 0.00 175.52 175.45 2gji s VAL 30 N -5.04 3.82 -0.24 6.82 1.01 0.46 -0.09 120.40 127.14 2gji s VAL 30 Ca -0.05 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.07 2gji s VAL 30 Cb 0.17 -3.73 -0.15 0.00 0.00 0.00 0.00 36.38 32.67 2gji s VAL 30 CO 0.67 -0.03 -0.23 1.21 0.00 0.00 0.00 175.10 176.72 2gji n GLU 31 N 5.81 0.59 -3.61 2.72 0.00 0.84 -4.76 120.64 122.23 2gji n GLU 31 Ca 0.14 0.15 -0.09 0.00 0.00 0.00 0.00 57.16 57.36 2gji n GLU 31 Cb 0.44 -1.47 -0.02 0.00 0.00 0.00 0.00 31.44 30.39 2gji n GLU 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2gji s ALA 32 N -2.48 -1.54 0.07 4.31 0.00 -0.86 -5.01 121.76 116.25 2gji s ALA 32 Ca -0.33 0.30 0.04 0.00 0.00 0.00 0.00 51.96 51.98 2gji s ALA 32 Cb 0.09 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 2gji s ALA 32 CO 0.54 -0.88 -0.12 0.08 0.00 0.00 0.00 175.76 175.38 2gji s VAL 33 N -3.60 0.98 -0.05 0.00 1.01 -1.26 -0.11 120.40 117.36 2gji s VAL 33 Ca 0.06 -1.31 -0.03 0.00 0.00 0.00 0.00 61.98 60.70 2gji s VAL 33 Cb -0.02 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.35 2gji s VAL 33 CO -0.04 -0.30 0.12 -0.13 0.00 0.00 0.00 175.10 174.74 2gji s ARG 34 N -1.86 0.10 0.58 2.72 1.81 -0.58 -4.99 118.95 116.73 2gji s ARG 34 Ca -0.02 0.24 -0.11 0.00 -1.72 0.00 0.00 55.73 54.12 2gji s ARG 34 Cb -0.09 -0.06 -0.05 0.00 -0.45 0.00 0.00 34.95 34.30 2gji s ARG 34 CO 0.02 -0.09 0.98 -1.59 -0.68 0.00 0.00 175.30 173.94 2gji s LYS 35 N 0.59 3.65 -0.45 3.54 0.00 -1.26 -0.61 119.74 125.20 2gji s LYS 35 Ca -0.04 0.69 -0.16 0.00 0.00 0.00 0.00 55.97 56.45 2gji s LYS 35 Cb -0.06 -2.14 0.04 0.00 0.00 0.00 0.00 37.83 35.67 2gji s LYS 35 CO -0.03 -0.45 0.40 0.45 0.00 0.00 0.00 175.35 175.73 2gji s SER 36 N -3.97 6.16 0.56 0.03 0.15 -0.61 -4.86 113.70 111.15 2gji s SER 36 Ca 0.54 -1.00 0.26 0.00 0.70 0.00 0.00 55.95 56.45 2gji s SER 36 Cb -0.11 -2.20 1.49 0.00 -1.71 0.00 0.00 66.02 63.49 2gji s SER 36 CO 0.49 -0.60 2.04 0.44 1.20 0.00 0.00 173.24 176.80 2gji h ASP 37 N 8.74 0.00 0.35 5.45 3.32 -1.96 -0.52 116.42 131.80 2gji h ASP 37 Ca -0.27 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.49 2gji h ASP 37 Cb 1.11 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.68 2gji h ASP 37 CO 0.83 0.00 -1.26 -0.07 -1.72 0.00 0.00 179.24 177.01 2gji h LEU 38 N 0.00 0.68 -7.53 1.55 3.38 -1.97 -3.43 115.31 107.99 2gji h LEU 38 Ca 0.16 -0.67 -0.51 0.00 0.09 0.00 0.00 57.88 56.95 2gji h LEU 38 Cb 0.73 -0.22 -0.38 0.00 0.09 0.00 0.00 40.66 40.89 2gji h LEU 38 CO -0.00 1.50 -0.78 -1.81 0.09 0.00 0.00 178.44 177.44 2gji s ASP 39 N -7.33 2.45 0.52 -0.43 1.01 -0.20 -5.00 116.67 107.69 2gji s ASP 39 Ca -0.07 -0.50 0.30 0.00 0.71 0.00 0.00 52.55 52.98 2gji s ASP 39 Cb 0.06 -0.73 1.36 0.00 1.01 0.00 0.00 42.92 44.63 2gji s ASP 39 CO 0.91 -0.20 2.00 0.44 0.21 0.00 0.00 175.17 178.53 2gji h ASP 40 N 8.20 0.00 -0.79 0.27 5.19 -1.85 -2.54 116.42 124.91 2gji h ASP 40 Ca -0.22 0.00 -0.41 0.00 -0.62 0.00 0.00 57.03 55.77 2gji h ASP 40 Cb 1.12 0.00 -0.24 0.00 0.18 0.00 0.00 39.33 40.39 2gji h ASP 40 CO 0.35 0.11 0.53 0.54 -3.12 0.00 0.00 179.24 177.65 2gji n ARG 41 N -3.35 2.00 -3.78 3.56 1.74 -1.26 -4.69 116.66 110.87 2gji n ARG 41 Ca -0.01 -2.38 -0.14 0.00 -0.77 0.00 0.00 57.85 54.55 2gji n ARG 41 Cb 0.30 -1.93 -0.15 0.00 -1.02 0.00 0.00 32.46 29.65 2gji n ARG 41 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2gji s VAL 42 N -2.64 -0.05 -0.01 1.55 1.01 -0.96 -3.47 120.40 115.84 2gji s VAL 42 Ca 0.45 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.62 2gji s VAL 42 Cb 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.66 2gji s VAL 42 CO 0.08 0.07 -0.05 -0.31 0.00 0.00 0.00 175.10 174.90 2gji s TYR 43 N 0.89 0.52 -0.26 5.22 1.51 -0.83 -1.58 117.35 122.82 2gji s TYR 43 Ca -0.07 -0.10 -0.08 0.00 -1.01 0.00 0.00 57.07 55.81 2gji s TYR 43 Cb -0.10 -0.38 -0.02 0.00 -0.11 0.00 0.00 41.96 41.34 2gji s TYR 43 CO -0.03 -0.05 0.09 0.00 -1.11 0.00 0.00 175.55 174.46 2gji s MET 44 N 0.15 3.59 -0.23 -0.62 0.23 0.22 -0.08 119.30 122.55 2gji s MET 44 Ca -0.01 -0.53 -0.15 0.00 -1.03 0.00 0.00 55.69 53.97 2gji s MET 44 Cb -0.05 -3.39 -0.04 0.00 -1.53 0.00 0.00 34.83 29.81 2gji s MET 44 CO -0.00 -0.24 0.35 0.08 -2.03 0.00 0.00 175.02 173.17 2gji s VAL 45 N 1.62 5.22 -0.31 5.16 1.01 0.71 -1.52 120.40 132.28 2gji s VAL 45 Ca 0.06 0.58 -0.15 0.00 0.00 0.00 0.00 61.98 62.47 2gji s VAL 45 Cb -0.16 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 2gji s VAL 45 CO 0.05 0.24 0.34 0.00 0.00 0.00 0.00 175.10 175.73 2gji s LEU 47 N 2.00 3.82 1.47 0.00 1.43 -1.26 -0.11 118.68 126.04 2gji s LEU 47 Ca 0.12 1.49 -0.25 0.00 -1.03 0.00 0.00 54.13 54.46 2gji s LEU 47 Cb -0.16 -4.37 0.38 0.00 0.03 0.00 0.00 46.19 42.07 2gji s LEU 47 CO 0.11 -0.43 0.90 -0.54 0.23 0.00 0.00 176.35 176.63 2gji s LYS 48 N -3.59 -3.34 -0.29 1.70 1.02 0.87 -4.68 119.74 111.44 2gji s LYS 48 Ca 0.58 0.05 -0.19 0.00 0.02 0.00 0.00 55.97 56.43 2gji s LYS 48 Cb -0.10 -1.34 -0.02 0.00 -0.52 0.00 0.00 37.83 35.86 2gji s LYS 48 CO 0.23 -5.12 0.58 1.14 -0.92 0.00 0.00 175.35 171.26 2gji s GLN 49 N -5.15 3.95 0.00 1.68 0.00 -1.26 -3.83 119.66 115.05 2gji s GLN 49 Ca 0.68 0.29 0.00 0.00 -0.00 0.00 0.00 55.36 56.34 2gji s GLN 49 Cb -0.12 -3.70 0.00 0.00 0.00 0.00 0.00 33.01 29.19 2gji s GLN 49 CO 0.57 -0.49 0.00 0.41 0.00 0.00 0.00 175.29 175.78 2gji n GLY 50 N 4.42 0.69 3.72 2.60 0.00 -1.26 -5.07 105.19 110.28 2gji n GLY 50 Ca -0.02 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 2gji n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gji s SER 51 N -2.30 4.59 -0.09 1.61 0.01 -1.25 -5.13 113.70 111.14 2gji s SER 51 Ca 0.00 -0.82 -0.03 0.00 1.31 0.00 0.00 55.95 56.41 2gji s SER 51 Cb 0.00 -0.68 0.04 0.00 0.21 0.00 0.00 66.02 65.59 2gji s SER 51 CO 0.00 -0.30 0.11 -0.89 0.41 0.00 0.00 173.24 172.57 2gji s THR 52 N -2.45 -0.17 -0.81 1.44 2.01 -1.26 -4.67 115.64 109.72 2gji s THR 52 Ca 0.37 0.28 -0.26 0.00 0.31 0.00 0.00 61.69 62.39 2gji s THR 52 Cb -0.02 -0.30 0.04 0.00 0.01 0.00 0.00 72.50 72.23 2gji s THR 52 CO 0.22 0.07 1.32 0.12 -0.69 0.00 0.00 174.62 175.66 2gji s PHE 53 N 2.22 2.35 -0.04 4.92 2.19 -0.54 -4.91 117.98 124.16 2gji s PHE 53 Ca 0.04 -0.26 -0.01 0.00 0.33 0.00 0.00 56.93 57.03 2gji s PHE 53 Cb -0.13 -4.64 -0.04 0.00 -1.31 0.00 0.00 43.02 36.90 2gji s PHE 53 CO -0.05 -2.04 0.03 0.08 1.83 0.00 0.00 175.22 175.07 2gji s VAL 54 N 5.51 4.47 -0.34 3.12 1.01 -1.26 -1.99 120.40 130.92 2gji s VAL 54 Ca 0.38 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 2gji s VAL 54 Cb -0.06 -2.96 0.08 0.00 0.00 0.00 0.00 36.38 33.44 2gji s VAL 54 CO 0.09 0.47 0.07 -0.76 0.00 0.00 0.00 175.10 174.97 2gji s LEU 55 N -1.33 4.51 0.54 3.92 1.02 0.87 -4.95 118.68 123.26 2gji s LEU 55 Ca 0.18 -1.73 0.26 0.00 0.02 0.00 0.00 54.13 52.85 2gji s LEU 55 Cb -0.12 -1.72 1.56 0.00 0.02 0.00 0.00 46.19 45.93 2gji s LEU 55 CO 0.08 -0.38 2.15 0.78 0.02 0.00 0.00 176.35 179.01 2gji h ASN 56 N 7.91 0.00 -0.02 2.29 2.35 -1.99 -1.92 115.58 124.21 2gji h ASN 56 Ca -0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 2gji h ASN 56 Cb 1.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.42 2gji h ASN 56 CO 0.58 0.06 -0.07 0.61 -1.65 0.00 0.00 177.43 176.96 2gji n GLY 57 N -1.09 0.02 7.00 2.83 0.00 -1.26 -4.83 105.19 107.87 2gji n GLY 57 Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2gji n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gji n GLY 58 N 0.90 -1.38 0.18 -0.02 0.00 -0.73 -3.71 105.19 100.42 2gji n GLY 58 Ca 0.08 -1.29 0.06 0.00 0.00 0.00 0.00 46.02 44.88 2gji n GLY 58 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2gji h ILE 59 N 0.00 0.56 -0.65 -0.61 1.08 -1.90 -3.28 117.51 112.71 2gji h ILE 59 Ca 0.00 -1.69 0.02 0.00 -0.39 0.00 0.00 64.86 62.80 2gji h ILE 59 Cb 0.00 2.19 -0.04 0.00 -3.07 0.00 0.00 36.82 35.91 2gji h ILE 59 CO 0.00 0.31 0.41 -0.33 -0.69 0.00 0.00 178.15 177.85 2gji h GLU 60 N 0.00 0.80 -0.24 2.37 5.08 -1.90 -1.58 114.58 119.11 2gji h GLU 60 Ca -0.00 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2gji h GLU 60 Cb 1.17 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2gji h GLU 60 CO 0.04 0.53 0.01 1.05 -1.00 0.00 0.00 179.01 179.64 2gji h GLU 61 N 0.83 0.35 -0.14 2.33 -0.00 -1.64 -2.25 114.58 114.06 2gji h GLU 61 Ca 0.26 -0.06 -0.15 0.00 -0.00 0.00 0.00 59.36 59.41 2gji h GLU 61 Cb -0.02 -0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 28.66 2gji h GLU 61 CO -0.09 0.38 -0.56 1.25 -0.00 0.00 0.00 179.01 179.99 2gji h LEU 62 N 0.34 0.46 -0.07 3.06 5.85 -1.44 -2.74 115.31 120.77 2gji h LEU 62 Ca 0.08 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.57 2gji h LEU 62 Cb 0.23 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2gji h LEU 62 CO 0.00 0.93 -0.05 0.03 -0.34 0.00 0.00 178.44 179.02 2gji h ARG 63 N 0.32 -0.05 -0.28 1.25 3.08 -0.71 -2.29 114.38 115.71 2gji h ARG 63 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 2gji h ARG 63 Cb 1.07 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 2gji h ARG 63 CO 0.10 -0.03 -0.11 -0.07 -1.07 0.00 0.00 179.97 178.78 2gji h LEU 64 N -0.05 0.45 0.00 3.04 3.38 -1.55 0.23 115.31 120.82 2gji h LEU 64 Ca 0.04 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2gji h LEU 64 Cb 0.11 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2gji h LEU 64 CO -0.10 0.60 0.00 0.18 0.09 0.00 0.00 178.44 179.21 2gji n LEU 65 N -4.22 0.00 0.28 1.67 4.77 -0.88 -2.25 117.00 116.37 2gji n LEU 65 Ca 0.01 0.81 0.13 0.00 -0.03 0.00 0.00 56.01 56.92 2gji n LEU 65 Cb 0.31 -0.31 0.82 0.00 -2.33 0.00 0.00 43.42 41.91 2gji n LEU 65 CO 0.40 -0.31 1.10 0.00 -1.33 0.00 0.00 177.39 177.25 2gji h THR 66 N 0.00 0.68 -0.05 -5.08 1.03 -1.58 -3.46 112.91 104.45 2gji h THR 66 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 66.41 66.37 2gji h THR 66 Cb 0.00 1.02 0.00 0.00 -1.07 0.00 0.00 68.15 68.10 2gji h THR 66 CO 0.00 0.01 0.00 0.61 -0.01 0.00 0.00 175.52 176.13 2gji n GLY 67 N -1.36 1.48 3.06 2.99 0.00 -0.64 -5.07 105.19 105.65 2gji n GLY 67 Ca -0.03 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 2gji n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gji s ASP 68 N -2.12 -0.21 -0.06 1.61 2.15 0.72 -4.99 116.67 113.76 2gji s ASP 68 Ca 0.00 0.41 0.11 0.00 0.43 0.00 0.00 52.55 53.50 2gji s ASP 68 Cb 0.00 0.39 0.43 0.00 -0.30 0.00 0.00 42.92 43.43 2gji s ASP 68 CO 0.00 -0.09 1.28 -1.20 -0.17 0.00 0.00 175.17 174.99 2gji n SER 69 N 3.28 2.97 -0.00 -0.34 7.64 -1.26 -3.71 113.62 122.20 2gji n SER 69 Ca -0.16 -2.24 0.05 0.00 1.01 0.00 0.00 58.87 57.53 2gji n SER 69 Cb 0.57 -0.43 -0.07 0.00 -1.01 0.00 0.00 64.21 63.27 2gji n SER 69 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2gji n THR 70 N 0.60 0.00 -1.63 0.44 -1.04 -1.26 -4.98 114.28 106.41 2gji n THR 70 Ca 0.15 -0.25 -0.44 0.00 -2.04 0.00 0.00 64.05 61.48 2gji n THR 70 Cb 0.56 0.49 -0.04 0.00 -1.82 0.00 0.00 70.33 69.52 2gji n THR 70 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2gji n LEU 71 N -1.67 3.63 -4.14 -4.42 0.00 -1.24 -4.57 117.00 104.58 2gji n LEU 71 Ca -0.01 0.66 -0.17 0.00 0.00 0.00 0.00 56.01 56.49 2gji n LEU 71 Cb 0.24 -1.49 -0.12 0.00 0.00 0.00 0.00 43.42 42.04 2gji n LEU 71 CO 0.21 -0.18 -0.45 -1.61 0.00 0.00 0.00 177.39 175.37 2gji s GLU 72 N 5.12 0.77 -0.14 1.96 2.02 -0.73 -4.61 118.70 123.09 2gji s GLU 72 Ca 0.95 -0.86 -0.04 0.00 0.02 0.00 0.00 54.97 55.04 2gji s GLU 72 Cb -0.48 -0.73 -0.03 0.00 0.10 0.00 0.00 34.13 33.00 2gji s GLU 72 CO 0.42 0.16 -0.00 0.42 0.02 0.00 0.00 175.26 176.28 2gji s ILE 73 N -1.18 4.23 0.14 -1.63 1.01 -1.26 -1.66 121.20 120.86 2gji s ILE 73 Ca -0.03 -0.25 0.08 0.00 0.00 0.00 0.00 60.65 60.46 2gji s ILE 73 Cb -0.09 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 2gji s ILE 73 CO 0.02 0.52 -0.19 -1.10 0.00 0.00 0.00 174.94 174.19 2gji s GLN 74 N -0.02 1.22 -0.03 2.79 -0.21 0.45 -4.96 119.66 118.89 2gji s GLN 74 Ca 0.03 -1.33 -0.30 0.00 0.02 0.00 0.00 55.36 53.78 2gji s GLN 74 Cb -0.13 -1.33 -0.05 0.00 1.00 0.00 0.00 33.01 32.50 2gji s GLN 74 CO 0.02 0.28 1.47 -1.25 -2.12 0.00 0.00 175.29 173.70 2gji s PRO 75 N -2.52 4.24 0.23 2.91 0.04 -1.26 -0.11 135.00 138.53 2gji s PRO 75 Ca 0.13 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.88 2gji s PRO 75 Cb -0.07 -3.72 -0.09 0.00 0.04 0.00 0.00 34.50 30.66 2gji s PRO 75 CO 0.06 -0.68 1.20 1.41 0.04 0.00 0.00 177.00 179.02 2gji s MET 76 N 3.04 4.50 -0.09 4.56 1.75 -1.16 -4.75 119.30 127.15 2gji s MET 76 Ca 0.66 1.92 -0.02 0.00 -1.25 0.00 0.00 55.69 57.00 2gji s MET 76 Cb -0.31 -3.20 -0.03 0.00 2.84 0.00 0.00 34.83 34.12 2gji s MET 76 CO 0.26 -0.04 -0.00 0.42 -0.65 0.00 0.00 175.02 175.01 2gji s ILE 77 N -0.46 4.27 -0.01 10.11 -1.09 -1.26 -4.92 121.20 127.84 2gji s ILE 77 Ca 0.51 -0.26 -0.23 0.00 -2.23 0.00 0.00 60.65 58.44 2gji s ILE 77 Cb -0.34 -2.80 -0.05 0.00 -1.58 0.00 0.00 42.46 37.70 2gji s ILE 77 CO 0.40 0.60 0.68 -0.69 -1.23 0.00 0.00 174.94 174.70 2gji s VAL 78 N -0.82 4.89 0.72 2.92 1.01 -1.26 -5.06 120.40 122.81 2gji s VAL 78 Ca 0.13 1.44 -0.12 0.00 0.00 0.00 0.00 61.98 63.42 2gji s VAL 78 Cb -0.11 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.27 2gji s VAL 78 CO 0.02 0.35 1.10 -2.16 0.00 0.00 0.00 175.10 174.41 2gji s PRO 79 N 0.17 2.48 -0.20 2.72 0.04 -1.26 -5.05 135.00 133.90 2gji s PRO 79 Ca 0.36 1.27 0.01 0.00 0.04 0.00 0.00 61.00 62.67 2gji s PRO 79 Cb -0.19 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.47 2gji s PRO 79 CO 0.19 -1.48 -0.14 -0.08 0.04 0.00 0.00 177.00 175.53 2gji s THR 80 N -2.66 1.84 -0.40 1.26 -1.32 -1.26 -5.09 115.64 108.01 2gji s THR 80 Ca 0.64 -1.03 -0.29 0.00 -1.21 0.00 0.00 61.69 59.79 2gji s THR 80 Cb -0.19 -1.81 0.01 0.00 -1.51 0.00 0.00 72.50 69.00 2gji s THR 80 CO 0.50 0.29 1.32 -0.89 -2.21 0.00 0.00 174.62 173.62 2gji s THR 81 N 1.33 4.04 -1.93 5.08 2.01 -1.26 -5.37 115.64 119.54 2gji s THR 81 Ca 0.00 1.09 0.00 0.00 0.31 0.00 0.00 61.69 63.09 2gji s THR 81 Cb -0.15 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.07 2gji s THR 81 CO -0.09 -0.75 0.48 -1.84 -0.69 0.00 0.00 174.62 171.73