#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gji n ALA 2 N 0.00 5.76 -1.05 3.04 0.00 -1.26 -4.97 120.51 122.03 2gji n ALA 2 Ca 0.00 -4.33 -0.35 0.00 0.00 0.00 0.00 53.44 48.76 2gji n ALA 2 Cb 0.00 -2.81 0.09 0.00 0.00 0.00 0.00 19.45 16.73 2gji n ALA 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2gji n THR 3 N 2.50 0.99 -3.64 0.00 -2.24 -1.26 -3.45 114.28 107.18 2gji n THR 3 Ca 0.44 -0.30 -0.14 0.00 -2.27 0.00 0.00 64.05 61.78 2gji n THR 3 Cb 0.32 -0.69 -0.13 0.00 -2.10 0.00 0.00 70.33 67.73 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 -2.13 -0.43 -0.03 4.78 2.19 -1.14 -4.84 117.98 116.38 2gji s PHE 4 Ca 0.62 0.91 0.06 0.00 0.33 0.00 0.00 56.93 58.85 2gji s PHE 4 Cb -0.28 -0.06 -0.01 0.00 -1.31 0.00 0.00 43.02 41.36 2gji s PHE 4 CO 0.62 -0.39 -0.20 -1.14 1.83 0.00 0.00 175.22 175.95 2gji s GLN 5 N 2.42 1.79 -0.16 10.12 -0.44 -1.26 -0.06 119.66 132.06 2gji s GLN 5 Ca 0.02 -0.71 -0.09 0.00 -2.50 0.00 0.00 55.36 52.08 2gji s GLN 5 Cb -0.12 -1.64 0.05 0.00 -1.64 0.00 0.00 33.01 29.66 2gji s GLN 5 CO -0.09 0.37 0.39 -0.08 0.50 0.00 0.00 175.29 176.38 2gji s THR 6 N -0.27 -0.02 -0.46 -0.34 -1.32 -0.77 -5.01 115.64 107.44 2gji s THR 6 Ca 0.03 0.08 0.04 0.00 -1.21 0.00 0.00 61.69 60.63 2gji s THR 6 Cb -0.10 -0.58 0.60 0.00 -1.51 0.00 0.00 72.50 70.91 2gji s THR 6 CO 0.01 0.03 1.84 -0.90 -2.21 0.00 0.00 174.62 173.39 2gji n ASP 7 N 4.03 4.27 -3.69 8.08 5.68 -1.26 -1.39 116.55 132.27 2gji n ASP 7 Ca -0.22 -3.68 -0.09 0.00 -0.50 0.00 0.00 54.79 50.30 2gji n ASP 7 Cb 0.55 -0.82 -0.02 0.00 -1.14 0.00 0.00 41.12 39.70 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 -3.40 -1.37 0.82 2.12 0.00 -1.26 -4.95 121.76 113.71 2gji s ALA 8 Ca 0.56 0.01 -0.15 0.00 0.00 0.00 0.00 51.96 52.38 2gji s ALA 8 Cb 0.47 0.86 -0.00 0.00 0.00 0.00 0.00 23.12 24.44 2gji s ALA 8 CO 0.07 -0.94 0.51 -0.25 0.00 0.00 0.00 175.76 175.14 2gji n ASP 9 N -0.43 -1.46 -3.73 0.00 8.00 -1.26 -4.79 116.55 112.88 2gji n ASP 9 Ca -0.09 0.49 -0.10 0.00 0.71 0.00 0.00 54.79 55.80 2gji n ASP 9 Cb 0.61 -1.22 -0.06 0.00 -0.02 0.00 0.00 41.12 40.43 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 -2.11 -0.06 0.14 1.24 -0.12 -0.88 -3.15 117.98 113.05 2gji s PHE 10 Ca 0.62 -0.30 0.03 0.00 -0.05 0.00 0.00 56.93 57.23 2gji s PHE 10 Cb -0.29 0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.19 2gji s PHE 10 CO 0.61 -0.63 0.21 -0.51 -0.05 0.00 0.00 175.22 174.86 2gji s LEU 11 N -2.80 4.12 0.03 -1.99 1.43 0.84 -0.18 118.68 120.13 2gji s LEU 11 Ca 0.03 0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 2gji s LEU 11 Cb 0.03 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.51 2gji s LEU 11 CO -0.11 0.08 -0.11 -0.76 0.23 0.00 0.00 176.35 175.67 2gji s LEU 12 N -3.05 2.16 -0.10 1.79 1.02 0.89 -0.58 118.68 120.81 2gji s LEU 12 Ca 0.33 -0.42 0.01 0.00 0.02 0.00 0.00 54.13 54.08 2gji s LEU 12 Cb -0.11 -0.45 0.02 0.00 0.02 0.00 0.00 46.19 45.67 2gji s LEU 12 CO 0.26 -0.01 -0.13 -0.69 0.02 0.00 0.00 176.35 175.80 2gji s VAL 13 N -0.84 1.34 0.00 -1.59 1.01 -0.86 -1.55 120.40 117.91 2gji s VAL 13 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2gji s VAL 13 Cb -0.07 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 35.06 2gji s VAL 13 CO 0.01 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.13 2gji n GLY 14 N 4.30 4.34 0.66 4.51 0.00 -1.25 -1.97 105.19 115.79 2gji n GLY 14 Ca -0.18 -0.41 0.06 0.00 0.00 0.00 0.00 46.02 45.49 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 2.90 -3.39 1.61 2.03 -1.26 -4.93 116.55 113.51 2gji n ASP 15 Ca 0.00 -3.28 -0.18 0.00 0.52 0.00 0.00 54.79 51.85 2gji n ASP 15 Cb 0.00 -0.53 0.07 0.00 -0.72 0.00 0.00 41.12 39.94 2gji n ASP 15 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2gji n ASP 16 N -0.99 -4.79 -4.76 1.67 8.00 -1.26 -4.95 116.55 109.46 2gji n ASP 16 Ca 0.22 -0.73 -0.40 0.00 0.71 0.00 0.00 54.79 54.59 2gji n ASP 16 Cb 0.82 -4.88 -0.05 0.00 -0.02 0.00 0.00 41.12 37.00 2gji n ASP 16 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2gji s THR 17 N -3.42 3.62 -0.07 -3.53 -4.23 -1.26 -4.92 115.64 101.84 2gji s THR 17 Ca 0.30 1.58 0.30 0.00 -1.18 0.00 0.00 61.69 62.68 2gji s THR 17 Cb -0.05 -3.98 0.32 0.00 1.34 0.00 0.00 72.50 70.13 2gji s THR 17 CO 0.76 0.33 1.89 -1.28 -0.54 0.00 0.00 174.62 175.78 2gji h SER 18 N 3.68 0.00 -0.41 3.99 0.87 -2.01 -1.50 113.55 118.18 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 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 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 -2.63 2.63 -0.35 2.24 1.74 -1.26 -4.31 116.66 114.72 2gji n ARG 19 Ca 0.00 -1.75 0.01 0.00 -0.77 0.00 0.00 57.85 55.34 2gji n ARG 19 Cb 0.19 -1.62 0.15 0.00 -1.02 0.00 0.00 32.46 30.16 2gji n ARG 19 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 2gji h TYR 20 N 2.54 1.14 -0.22 -1.55 -0.00 -1.66 0.22 116.97 117.44 2gji h TYR 20 Ca 0.00 0.03 -0.19 0.00 -0.00 0.00 0.00 58.73 58.57 2gji h TYR 20 Cb 0.96 -0.37 0.00 0.00 -0.00 0.00 0.00 36.73 37.32 2gji h TYR 20 CO 0.46 0.61 -0.59 1.05 -0.00 0.00 0.00 178.16 179.69 2gji h GLU 21 N 1.14 0.79 -0.16 0.10 4.11 -1.84 -2.66 114.58 116.06 2gji h GLU 21 Ca 0.40 -0.56 -0.02 0.00 0.07 0.00 0.00 59.36 59.26 2gji h GLU 21 Cb 0.11 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2gji h GLU 21 CO -0.16 1.18 0.03 1.49 0.07 0.00 0.00 179.01 181.62 2gji h GLU 22 N 0.54 0.27 -0.79 1.06 4.81 -1.70 0.25 114.58 119.02 2gji h GLU 22 Ca -0.01 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 2gji h GLU 22 Cb 1.21 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.50 2gji h GLU 22 CO 0.13 0.43 0.49 0.28 -0.73 0.00 0.00 179.01 179.61 2gji h VAL 23 N 0.06 1.07 -0.11 0.32 2.07 -0.63 -2.30 116.25 116.73 2gji h VAL 23 Ca 0.05 -0.32 -0.21 0.00 0.82 0.00 0.00 66.70 67.04 2gji h VAL 23 Cb 0.29 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2gji h VAL 23 CO 0.00 0.17 -0.78 0.24 0.02 0.00 0.00 177.57 177.22 2gji h MET 24 N 0.93 0.63 -0.30 1.57 2.86 -1.36 -3.10 114.93 116.16 2gji h MET 24 Ca 0.33 -0.53 0.09 0.00 -2.06 0.00 0.00 59.70 57.53 2gji h MET 24 Cb 0.09 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2gji h MET 24 CO -0.14 1.15 0.24 0.87 1.06 0.00 0.00 176.91 180.09 2gji h LYS 25 N 0.42 0.00 -0.17 1.72 6.56 0.03 -0.18 116.57 124.96 2gji h LYS 25 Ca -0.05 0.00 0.05 0.00 -1.06 0.00 0.00 60.65 59.59 2gji h LYS 25 Cb 1.39 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 33.05 2gji h LYS 25 CO 0.15 0.00 0.26 1.79 -2.06 0.00 0.00 179.45 179.59 2gji h THR 26 N 0.00 0.29 -3.65 -0.16 1.35 -1.35 -3.37 112.91 106.02 2gji h THR 26 Ca 0.14 0.00 -0.68 0.00 -0.55 0.00 0.00 66.41 65.32 2gji h THR 26 Cb 0.62 0.77 -0.22 0.00 -1.73 0.00 0.00 68.15 67.60 2gji h THR 26 CO -0.00 0.00 -0.52 -0.36 -0.25 0.00 0.00 175.52 174.39 2gji s PHE 27 N -4.46 3.21 0.57 4.73 0.08 -0.08 -4.95 117.98 117.08 2gji s PHE 27 Ca -0.04 -0.52 0.28 0.00 0.12 0.00 0.00 56.93 56.76 2gji s PHE 27 Cb 0.14 -2.42 1.48 0.00 -0.57 0.00 0.00 43.02 41.65 2gji s PHE 27 CO 0.47 -0.47 1.96 0.22 -0.10 0.00 0.00 175.22 177.30 2gji h ASP 28 N 8.42 0.00 -0.22 1.36 3.58 -1.84 0.12 116.42 127.84 2gji h ASP 28 Ca -0.31 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.17 2gji h ASP 28 Cb 1.14 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.18 2gji h ASP 28 CO 0.64 0.00 0.15 0.74 -2.88 0.00 0.00 179.24 177.89 2gji h THR 29 N 0.00 0.99 -3.38 2.25 2.02 -1.91 -3.42 112.91 109.46 2gji h THR 29 Ca 0.23 -0.06 -0.52 0.00 0.77 0.00 0.00 66.41 66.82 2gji h THR 29 Cb 1.08 0.79 0.03 0.00 -1.74 0.00 0.00 68.15 68.30 2gji h THR 29 CO -0.00 0.03 0.63 -0.69 0.37 0.00 0.00 175.52 175.86 2gji s VAL 30 N -5.21 3.32 -0.09 3.16 1.01 0.40 -0.09 120.40 122.91 2gji s VAL 30 Ca -0.06 1.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.99 2gji s VAL 30 Cb 0.18 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 2gji s VAL 30 CO 0.70 0.16 -0.09 1.21 0.00 0.00 0.00 175.10 177.08 2gji n GLU 31 N 2.73 0.23 -3.63 2.72 2.13 0.92 -4.68 120.64 121.05 2gji n GLU 31 Ca 0.06 0.06 -0.10 0.00 0.66 0.00 0.00 57.16 57.84 2gji n GLU 31 Cb 0.43 -1.14 -0.02 0.00 0.27 0.00 0.00 31.44 30.98 2gji n GLU 31 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2gji s ALA 32 N -2.18 -1.42 0.07 4.31 0.00 -0.81 -5.01 121.76 116.72 2gji s ALA 32 Ca -0.13 0.11 0.04 0.00 0.00 0.00 0.00 51.96 51.99 2gji s ALA 32 Cb 0.03 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 24.00 2gji s ALA 32 CO 0.21 -0.90 -0.13 0.08 0.00 0.00 0.00 175.76 175.02 2gji s VAL 33 N -3.83 0.98 -0.08 0.00 1.01 -1.26 -0.37 120.40 116.85 2gji s VAL 33 Ca 0.06 -1.26 -0.06 0.00 0.00 0.00 0.00 61.98 60.72 2gji s VAL 33 Cb -0.03 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.41 2gji s VAL 33 CO -0.04 -0.26 0.20 -0.13 0.00 0.00 0.00 175.10 174.88 2gji s ARG 34 N -1.72 0.20 0.50 2.72 1.81 -0.57 -5.00 118.95 116.90 2gji s ARG 34 Ca -0.04 0.37 -0.18 0.00 -1.72 0.00 0.00 55.73 54.16 2gji s ARG 34 Cb -0.10 -0.01 -0.08 0.00 -0.45 0.00 0.00 34.95 34.31 2gji s ARG 34 CO 0.02 -0.09 1.00 -1.59 -0.68 0.00 0.00 175.30 173.95 2gji s LYS 35 N 0.63 3.90 -0.27 3.54 0.00 -1.26 -0.47 119.74 125.81 2gji s LYS 35 Ca -0.04 1.12 -0.20 0.00 0.00 0.00 0.00 55.97 56.84 2gji s LYS 35 Cb -0.06 -2.12 -0.02 0.00 0.00 0.00 0.00 37.83 35.63 2gji s LYS 35 CO -0.03 -0.32 0.62 0.45 0.00 0.00 0.00 175.35 176.06 2gji s SER 36 N -2.57 6.53 0.27 0.03 0.15 -0.57 -4.85 113.70 112.71 2gji s SER 36 Ca 0.62 0.59 -0.00 0.00 0.70 0.00 0.00 55.95 57.86 2gji s SER 36 Cb -0.12 -2.33 0.39 0.00 -1.71 0.00 0.00 66.02 62.25 2gji s SER 36 CO 0.25 -0.40 1.77 0.44 1.20 0.00 0.00 173.24 176.50 2gji h ASP 37 N 8.01 0.67 -0.21 5.45 5.19 -1.95 -2.89 116.42 130.69 2gji h ASP 37 Ca -0.27 -0.17 -0.18 0.00 -0.62 0.00 0.00 57.03 55.79 2gji h ASP 37 Cb 1.12 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 40.45 2gji h ASP 37 CO 0.78 0.77 -0.54 -0.07 -3.12 0.00 0.00 179.24 177.05 2gji h LEU 38 N 0.65 0.89 -7.57 1.55 3.38 -1.98 -3.42 115.31 108.81 2gji h LEU 38 Ca 0.12 -0.47 -0.53 0.00 0.09 0.00 0.00 57.88 57.09 2gji h LEU 38 Cb 0.47 -0.25 -0.38 0.00 0.09 0.00 0.00 40.66 40.59 2gji h LEU 38 CO 0.02 1.25 -0.79 -0.62 0.09 0.00 0.00 178.44 178.40 2gji s ASP 39 N -6.94 2.51 0.55 -0.43 -1.08 -1.09 -4.99 116.67 105.19 2gji s ASP 39 Ca -0.10 -0.51 0.34 0.00 -0.52 0.00 0.00 52.55 51.75 2gji s ASP 39 Cb 0.10 -0.78 1.47 0.00 -1.46 0.00 0.00 42.92 42.25 2gji s ASP 39 CO 0.88 -0.19 2.03 0.44 0.52 0.00 0.00 175.17 178.85 2gji h ASP 40 N 8.18 0.00 -0.75 -0.34 5.19 -1.82 -2.61 116.42 124.27 2gji h ASP 40 Ca -0.24 0.00 -0.39 0.00 -0.62 0.00 0.00 57.03 55.78 2gji h ASP 40 Cb 1.12 0.00 -0.23 0.00 0.18 0.00 0.00 39.33 40.40 2gji h ASP 40 CO 0.37 0.04 0.50 0.54 -3.12 0.00 0.00 179.24 177.57 2gji n ARG 41 N -3.17 1.94 -3.88 3.56 5.12 -1.26 -4.81 116.66 114.15 2gji n ARG 41 Ca -0.00 -2.26 -0.11 0.00 -1.93 0.00 0.00 57.85 53.55 2gji n ARG 41 Cb 0.28 -1.89 -0.12 0.00 -1.16 0.00 0.00 32.46 29.57 2gji n ARG 41 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2gji s VAL 42 N -2.49 0.04 -0.03 1.55 1.01 -0.98 -3.75 120.40 115.75 2gji s VAL 42 Ca 0.43 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 2gji s VAL 42 Cb 0.36 -0.17 0.01 0.00 0.00 0.00 0.00 36.38 36.58 2gji s VAL 42 CO 0.08 -0.17 0.07 -0.31 0.00 0.00 0.00 175.10 174.77 2gji s TYR 43 N -0.50 -0.06 -0.25 5.22 1.51 -0.59 -1.51 117.35 121.17 2gji s TYR 43 Ca -0.06 0.20 -0.09 0.00 -1.01 0.00 0.00 57.07 56.11 2gji s TYR 43 Cb -0.04 -0.04 -0.04 0.00 -0.11 0.00 0.00 41.96 41.74 2gji s TYR 43 CO 0.00 -0.06 0.12 0.00 -1.11 0.00 0.00 175.55 174.50 2gji s MET 44 N 0.37 3.86 -0.24 -0.62 0.23 0.38 -0.08 119.30 123.20 2gji s MET 44 Ca -0.03 -0.38 -0.11 0.00 -1.03 0.00 0.00 55.69 54.14 2gji s MET 44 Cb -0.04 -3.45 -0.05 0.00 -1.53 0.00 0.00 34.83 29.76 2gji s MET 44 CO -0.01 -0.08 0.20 0.08 -2.03 0.00 0.00 175.02 173.17 2gji s VAL 45 N 1.41 5.33 -0.40 5.16 1.01 0.74 -1.51 120.40 132.15 2gji s VAL 45 Ca 0.06 0.26 -0.16 0.00 0.00 0.00 0.00 61.98 62.14 2gji s VAL 45 Cb -0.15 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.70 2gji s VAL 45 CO 0.06 0.32 0.41 0.00 0.00 0.00 0.00 175.10 175.88 2gji s LEU 47 N 2.07 3.49 0.16 0.00 1.43 -1.26 -0.06 118.68 124.51 2gji s LEU 47 Ca 0.11 1.65 -0.30 0.00 -1.03 0.00 0.00 54.13 54.57 2gji s LEU 47 Cb -0.17 -4.51 -0.08 0.00 0.03 0.00 0.00 46.19 41.46 2gji s LEU 47 CO 0.13 -0.91 1.26 -0.54 0.23 0.00 0.00 176.35 176.51 2gji s LYS 48 N -4.27 4.43 -0.28 1.70 1.02 0.87 -4.67 119.74 118.55 2gji s LYS 48 Ca 0.60 1.93 -0.30 0.00 0.02 0.00 0.00 55.97 58.22 2gji s LYS 48 Cb -0.13 -3.25 -0.07 0.00 -0.52 0.00 0.00 37.83 33.86 2gji s LYS 48 CO 0.38 -0.21 2.23 0.94 -0.92 0.00 0.00 175.35 177.76 2gji n GLN 49 N 2.99 1.61 0.00 1.68 7.27 -1.26 -0.82 117.38 128.85 2gji n GLN 49 Ca 0.07 0.42 0.00 0.00 0.07 0.00 0.00 57.00 57.56 2gji n GLN 49 Cb 0.44 -2.98 0.00 0.00 2.41 0.00 0.00 30.24 30.11 2gji n GLN 49 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2gji n GLY 50 N 6.05 0.91 3.76 1.69 0.00 -1.26 -5.11 105.19 111.23 2gji n GLY 50 Ca 0.34 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.26 4.72 -0.15 1.61 0.01 -0.00 -5.13 113.70 113.50 2gji s SER 51 Ca 0.00 -0.82 -0.04 0.00 1.31 0.00 0.00 55.95 56.40 2gji s SER 51 Cb 0.00 -0.67 0.06 0.00 0.21 0.00 0.00 66.02 65.62 2gji s SER 51 CO 0.00 -0.41 0.10 -0.89 0.41 0.00 0.00 173.24 172.45 2gji s THR 52 N -2.46 -0.12 -0.74 1.44 2.01 -1.26 -4.71 115.64 109.79 2gji s THR 52 Ca 0.40 -0.02 -0.26 0.00 0.31 0.00 0.00 61.69 62.12 2gji s THR 52 Cb -0.01 -0.49 0.01 0.00 0.01 0.00 0.00 72.50 72.01 2gji s THR 52 CO 0.24 -0.17 1.57 0.12 -0.69 0.00 0.00 174.62 175.68 2gji s PHE 53 N 2.17 2.04 -0.03 4.92 2.19 -0.49 -4.90 117.98 123.88 2gji s PHE 53 Ca 0.03 0.22 -0.01 0.00 0.33 0.00 0.00 56.93 57.50 2gji s PHE 53 Cb -0.15 -4.39 -0.04 0.00 -1.31 0.00 0.00 43.02 37.13 2gji s PHE 53 CO -0.08 -2.12 0.03 0.08 1.83 0.00 0.00 175.22 174.97 2gji s VAL 54 N 7.24 4.46 -0.32 3.12 1.01 -1.26 -1.85 120.40 132.79 2gji s VAL 54 Ca 0.51 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.12 2gji s VAL 54 Cb -0.09 -2.97 0.08 0.00 0.00 0.00 0.00 36.38 33.41 2gji s VAL 54 CO 0.13 0.45 0.01 -0.76 0.00 0.00 0.00 175.10 174.92 2gji s LEU 55 N -1.38 4.29 0.37 3.92 1.43 0.91 -4.96 118.68 123.25 2gji s LEU 55 Ca 0.18 -1.81 0.10 0.00 -1.03 0.00 0.00 54.13 51.58 2gji s LEU 55 Cb -0.12 -1.63 0.73 0.00 0.03 0.00 0.00 46.19 45.20 2gji s LEU 55 CO 0.09 -0.32 1.86 -1.13 0.23 0.00 0.00 176.35 177.08 2gji h ASN 56 N 7.74 0.15 0.00 2.29 -1.24 -1.98 -2.85 115.58 119.69 2gji h ASN 56 Ca -0.11 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.86 2gji h ASN 56 Cb 1.03 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 40.04 2gji h ASN 56 CO 0.52 0.41 -1.21 0.61 -1.29 0.00 0.00 177.43 176.46 2gji n GLY 57 N -0.65 -0.95 3.53 1.57 0.00 -1.26 -4.75 105.19 102.68 2gji n GLY 57 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 1.44 -1.26 0.18 -0.02 0.00 -1.09 -4.09 105.19 100.34 2gji n GLY 58 Ca 0.02 -1.60 0.07 0.00 0.00 0.00 0.00 46.02 44.51 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 0.52 -0.41 -0.61 1.08 -1.89 -3.28 117.51 112.92 2gji h ILE 59 Ca 0.00 -1.66 -0.00 0.00 -0.39 0.00 0.00 64.86 62.80 2gji h ILE 59 Cb 0.00 2.19 -0.02 0.00 -3.07 0.00 0.00 36.82 35.93 2gji h ILE 59 CO 0.00 0.29 0.24 -0.33 -0.69 0.00 0.00 178.15 177.66 2gji h GLU 60 N 0.00 0.57 -0.18 2.37 5.08 -1.87 -1.48 114.58 119.06 2gji h GLU 60 Ca -0.00 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 2gji h GLU 60 Cb 1.17 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2gji h GLU 60 CO 0.04 0.44 -0.20 1.05 -1.00 0.00 0.00 179.01 179.33 2gji h GLU 61 N 0.54 0.31 -0.47 2.33 -0.00 -1.71 -2.83 114.58 112.76 2gji h GLU 61 Ca 0.15 -0.10 -0.11 0.00 -0.00 0.00 0.00 59.36 59.31 2gji h GLU 61 Cb 0.02 -0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 28.73 2gji h GLU 61 CO -0.03 0.51 -0.12 1.25 -0.00 0.00 0.00 179.01 180.63 2gji h LEU 62 N 0.29 0.92 -0.97 3.06 5.85 -1.50 -2.81 115.31 120.15 2gji h LEU 62 Ca 0.05 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.43 2gji h LEU 62 Cb 0.53 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 2gji h LEU 62 CO 0.04 1.07 0.64 0.03 -0.34 0.00 0.00 178.44 179.87 2gji h ARG 63 N 0.76 1.22 -0.34 1.25 3.08 -1.04 -1.78 114.38 117.53 2gji h ARG 63 Ca 0.12 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 2gji h ARG 63 Cb 0.67 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 2gji h ARG 63 CO 0.05 0.81 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.62 2gji h LEU 64 N 1.26 0.53 0.00 3.04 3.38 -1.39 0.31 115.31 122.44 2gji h LEU 64 Ca 0.38 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2gji h LEU 64 Cb -0.04 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.56 2gji h LEU 64 CO -0.11 0.65 0.00 0.18 0.09 0.00 0.00 178.44 179.25 2gji n LEU 65 N -4.23 0.00 0.29 1.67 4.77 -0.68 -3.18 117.00 115.64 2gji n LEU 65 Ca 0.01 0.76 0.15 0.00 -0.03 0.00 0.00 56.01 56.91 2gji n LEU 65 Cb 0.29 -0.26 0.86 0.00 -2.33 0.00 0.00 43.42 41.98 2gji n LEU 65 CO 0.40 -0.26 1.06 0.00 -1.33 0.00 0.00 177.39 177.25 2gji h THR 66 N 0.00 0.46 -0.09 -5.08 1.03 -1.60 -3.46 112.91 104.17 2gji h THR 66 Ca 0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 66.41 66.13 2gji h THR 66 Cb 0.00 1.18 0.00 0.00 -1.07 0.00 0.00 68.15 68.26 2gji h THR 66 CO 0.00 0.06 0.00 0.61 -0.01 0.00 0.00 175.52 176.18 2gji n GLY 67 N -0.93 0.97 2.92 2.99 0.00 0.86 -5.07 105.19 106.92 2gji n GLY 67 Ca -0.02 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.63 2.40 0.44 1.61 -1.08 0.13 -4.98 116.67 112.55 2gji s ASP 68 Ca 0.00 -0.41 0.24 0.00 -0.52 0.00 0.00 52.55 51.86 2gji s ASP 68 Cb 0.00 -0.90 0.54 0.00 -1.46 0.00 0.00 42.92 41.10 2gji s ASP 68 CO 0.00 -0.13 1.68 0.28 0.52 0.00 0.00 175.17 177.52 2gji h SER 69 N 8.15 0.00 -0.13 -0.34 0.02 -1.98 -3.00 113.55 116.27 2gji h SER 69 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2gji h SER 69 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2gji h SER 69 CO 0.42 0.07 0.00 0.35 -1.14 0.00 0.00 176.83 176.53 2gji n THR 70 N -3.13 0.17 -2.24 -2.27 -2.24 -1.26 -4.84 114.28 98.47 2gji n THR 70 Ca 0.03 -0.23 -0.43 0.00 -2.27 0.00 0.00 64.05 61.14 2gji n THR 70 Cb 0.50 0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.84 2gji n THR 70 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2gji s LEU 71 N -1.43 3.77 0.23 3.22 0.20 -1.13 -4.33 118.68 119.22 2gji s LEU 71 Ca 0.27 1.29 0.09 0.00 0.69 0.00 0.00 54.13 56.47 2gji s LEU 71 Cb 0.14 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 42.31 2gji s LEU 71 CO 0.21 -1.30 -0.16 -1.61 -0.29 0.00 0.00 176.35 173.20 2gji s GLU 72 N 4.71 1.45 -0.06 1.98 2.02 -0.83 -4.82 118.70 123.15 2gji s GLU 72 Ca 0.66 -1.65 0.04 0.00 0.02 0.00 0.00 54.97 54.03 2gji s GLU 72 Cb -0.20 -1.34 0.00 0.00 0.10 0.00 0.00 34.13 32.69 2gji s GLU 72 CO 0.29 0.23 -0.17 0.42 0.02 0.00 0.00 175.26 176.05 2gji s ILE 73 N -2.82 1.42 0.10 -1.63 1.01 -1.26 -2.02 121.20 116.00 2gji s ILE 73 Ca 0.25 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.27 2gji s ILE 73 Cb -0.02 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 2gji s ILE 73 CO 0.10 0.41 -0.13 -1.10 0.00 0.00 0.00 174.94 174.22 2gji s GLN 74 N 0.25 0.92 -0.11 2.79 -0.21 0.25 -4.98 119.66 118.58 2gji s GLN 74 Ca -0.09 -1.14 -0.29 0.00 0.02 0.00 0.00 55.36 53.86 2gji s GLN 74 Cb -0.13 -0.79 -0.04 0.00 1.00 0.00 0.00 33.01 33.04 2gji s GLN 74 CO 0.03 0.15 1.54 -1.25 -2.12 0.00 0.00 175.29 173.64 2gji s PRO 75 N -2.45 4.14 0.49 2.91 0.04 -1.26 -0.11 135.00 138.76 2gji s PRO 75 Ca 0.05 1.96 -0.23 0.00 0.04 0.00 0.00 61.00 62.82 2gji s PRO 75 Cb -0.06 -3.93 -0.06 0.00 0.04 0.00 0.00 34.50 30.49 2gji s PRO 75 CO 0.02 -0.87 1.29 1.41 0.04 0.00 0.00 177.00 178.89 2gji s MET 76 N 3.98 3.51 -0.07 4.56 1.75 -1.19 -4.76 119.30 127.08 2gji s MET 76 Ca 0.68 2.09 0.03 0.00 -1.25 0.00 0.00 55.69 57.24 2gji s MET 76 Cb -0.29 -2.42 -0.02 0.00 2.84 0.00 0.00 34.83 34.95 2gji s MET 76 CO 0.25 -0.85 -0.16 0.42 -0.65 0.00 0.00 175.02 174.04 2gji s ILE 77 N -1.36 2.91 -0.10 10.11 -1.09 -1.26 -4.93 121.20 125.47 2gji s ILE 77 Ca 0.66 -0.76 0.01 0.00 -2.23 0.00 0.00 60.65 58.34 2gji s ILE 77 Cb -0.37 -2.15 -0.02 0.00 -1.58 0.00 0.00 42.46 38.34 2gji s ILE 77 CO 0.44 0.57 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.89 2gji s VAL 78 N -0.32 3.00 1.23 2.92 1.01 -1.26 -5.13 120.40 121.85 2gji s VAL 78 Ca 0.02 -0.70 -0.21 0.00 0.00 0.00 0.00 61.98 61.10 2gji s VAL 78 Cb -0.13 -2.23 0.30 0.00 0.00 0.00 0.00 36.38 34.33 2gji s VAL 78 CO 0.02 0.55 1.09 -0.81 0.00 0.00 0.00 175.10 175.95 2gji n PRO 79 N 3.12 -3.14 0.00 2.72 -0.04 -1.26 -5.04 135.00 131.36 2gji n PRO 79 Ca -0.18 -1.74 0.00 0.00 -0.04 0.00 0.00 63.50 61.54 2gji n PRO 79 Cb 0.53 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 2gji n PRO 79 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2gji n THR 80 N -4.86 0.00 -2.13 0.52 -1.04 -1.26 -5.03 114.28 100.49 2gji n THR 80 Ca 0.15 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.74 2gji n THR 80 Cb 0.59 -0.57 -0.03 0.00 -1.82 0.00 0.00 70.33 68.49 2gji n THR 80 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2gji s THR 81 N -1.95 3.32 -1.97 12.58 -4.23 -1.26 -5.39 115.64 116.75 2gji s THR 81 Ca 0.00 0.87 0.00 0.00 -1.18 0.00 0.00 61.69 61.38 2gji s THR 81 Cb 0.00 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.28 2gji s THR 81 CO 0.00 0.04 0.49 1.21 -0.54 0.00 0.00 174.62 175.82