#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 5.69 -1.57 3.17 0.00 -1.26 -5.05 120.51 121.49 2gji n ALA 2 Ca 0.00 -4.33 -0.40 0.00 0.00 0.00 0.00 53.44 48.71 2gji n ALA 2 Cb 0.00 -1.31 0.03 0.00 0.00 0.00 0.00 19.45 18.17 2gji n ALA 2 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2gji n THR 3 N -0.42 2.76 -3.74 0.00 5.66 -1.26 -3.84 114.28 113.43 2gji n THR 3 Ca 0.45 -0.50 -0.23 0.00 -3.05 0.00 0.00 64.05 60.72 2gji n THR 3 Cb 0.42 -1.02 -0.18 0.00 -1.55 0.00 0.00 70.33 68.01 2gji n THR 3 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2gji s PHE 4 N -1.46 0.54 -0.08 1.09 5.36 -1.04 -4.85 117.98 117.54 2gji s PHE 4 Ca 0.68 -0.14 0.05 0.00 -0.96 0.00 0.00 56.93 56.56 2gji s PHE 4 Cb -0.49 -0.75 -0.01 0.00 -0.34 0.00 0.00 43.02 41.43 2gji s PHE 4 CO 0.53 -0.33 -0.23 -1.14 -1.46 0.00 0.00 175.22 172.58 2gji s GLN 5 N 2.01 2.81 -0.04 10.12 -0.44 -1.26 0.04 119.66 132.90 2gji s GLN 5 Ca 0.04 -0.87 -0.02 0.00 -2.50 0.00 0.00 55.36 52.01 2gji s GLN 5 Cb -0.13 -2.26 0.03 0.00 -1.64 0.00 0.00 33.01 29.02 2gji s GLN 5 CO -0.05 0.30 0.08 -0.08 0.50 0.00 0.00 175.29 176.03 2gji s THR 6 N 0.06 -0.12 -0.56 -0.34 -1.32 -0.89 -5.02 115.64 107.45 2gji s THR 6 Ca -0.10 0.35 -0.02 0.00 -1.21 0.00 0.00 61.69 60.71 2gji s THR 6 Cb -0.16 -0.16 0.28 0.00 -1.51 0.00 0.00 72.50 70.95 2gji s THR 6 CO 0.06 0.14 2.19 -0.90 -2.21 0.00 0.00 174.62 173.90 2gji n ASP 7 N 4.94 7.08 -3.58 8.08 5.75 -1.26 -2.26 116.55 135.31 2gji n ASP 7 Ca -0.11 -3.48 0.03 0.00 -0.01 0.00 0.00 54.79 51.22 2gji n ASP 7 Cb 0.50 -1.07 -0.00 0.00 -1.03 0.00 0.00 41.12 39.52 2gji n ASP 7 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gji s ALA 8 N -2.88 -2.42 0.84 2.12 0.00 -1.26 -4.99 121.76 113.17 2gji s ALA 8 Ca 0.52 0.88 -0.15 0.00 0.00 0.00 0.00 51.96 53.21 2gji s ALA 8 Cb 0.40 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.78 2gji s ALA 8 CO -0.13 -1.05 0.45 -0.40 0.00 0.00 0.00 175.76 174.62 2gji n ASP 9 N -0.49 -1.70 -3.80 0.00 5.68 -1.26 -4.74 116.55 110.23 2gji n ASP 9 Ca -0.09 0.46 -0.10 0.00 -0.50 0.00 0.00 54.79 54.56 2gji n ASP 9 Cb 0.64 -1.20 -0.07 0.00 -1.14 0.00 0.00 41.12 39.34 2gji n ASP 9 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 2gji s PHE 10 N -2.14 0.04 -0.02 2.11 -0.12 -0.81 -3.98 117.98 113.05 2gji s PHE 10 Ca 0.61 -0.37 -0.02 0.00 -0.05 0.00 0.00 56.93 57.10 2gji s PHE 10 Cb -0.28 0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.10 2gji s PHE 10 CO 0.63 -0.55 0.12 -0.51 -0.05 0.00 0.00 175.22 174.86 2gji s LEU 11 N -2.61 4.08 -0.03 -1.99 1.43 -0.13 -0.57 118.68 118.87 2gji s LEU 11 Ca 0.02 0.25 0.06 0.00 -1.03 0.00 0.00 54.13 53.42 2gji s LEU 11 Cb 0.03 -2.33 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 2gji s LEU 11 CO -0.09 0.29 -0.21 -0.76 0.23 0.00 0.00 176.35 175.81 2gji s LEU 12 N -1.67 2.02 -0.12 1.79 1.43 0.93 -0.35 118.68 122.71 2gji s LEU 12 Ca 0.23 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 2gji s LEU 12 Cb -0.12 -1.12 0.01 0.00 0.03 0.00 0.00 46.19 45.00 2gji s LEU 12 CO 0.14 0.24 -0.16 -0.69 0.23 0.00 0.00 176.35 176.11 2gji s VAL 13 N -0.37 1.57 0.00 -1.59 1.01 -0.70 -1.94 120.40 118.37 2gji s VAL 13 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2gji s VAL 13 Cb -0.09 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.86 2gji s VAL 13 CO 0.00 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.17 2gji n GLY 14 N 4.25 3.89 1.94 4.51 0.00 -1.24 -1.83 105.19 116.70 2gji n GLY 14 Ca -0.19 -0.28 -0.01 0.00 0.00 0.00 0.00 46.02 45.54 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 5.13 -3.69 1.61 2.03 -1.26 -4.85 116.55 115.52 2gji n ASP 15 Ca 0.00 -3.07 -0.26 0.00 0.52 0.00 0.00 54.79 51.98 2gji n ASP 15 Cb 0.00 -0.72 0.03 0.00 -0.72 0.00 0.00 41.12 39.71 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 0.17 -3.57 -4.77 1.67 -0.08 -1.26 -4.94 116.55 103.78 2gji n ASP 16 Ca 0.35 -0.93 -0.39 0.00 -1.51 0.00 0.00 54.79 52.30 2gji n ASP 16 Cb 1.29 -3.69 -0.06 0.00 2.34 0.00 0.00 41.12 41.00 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 -3.59 4.27 -0.10 5.18 -4.23 -1.26 -4.94 115.64 110.96 2gji s THR 17 Ca 0.28 1.81 0.29 0.00 -1.18 0.00 0.00 61.69 62.89 2gji s THR 17 Cb -0.09 -4.17 0.31 0.00 1.34 0.00 0.00 72.50 69.89 2gji s THR 17 CO 0.84 0.45 1.87 -1.28 -0.54 0.00 0.00 174.62 175.96 2gji h SER 18 N 4.07 0.00 0.20 3.99 0.87 -2.02 -1.49 113.55 119.17 2gji h SER 18 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 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 -1.14 -0.53 0.00 0.00 176.83 175.82 2gji n ARG 19 N -2.58 0.71 -0.12 2.24 3.00 -1.26 -3.61 116.66 115.04 2gji n ARG 19 Ca 0.00 0.01 0.13 0.00 -0.00 0.00 0.00 57.85 57.99 2gji n ARG 19 Cb 0.18 -1.50 0.49 0.00 0.00 0.00 0.00 32.46 31.63 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 0.00 0.48 -0.14 -0.14 -0.00 -1.67 0.20 116.97 115.71 2gji h TYR 20 Ca 0.00 0.01 -0.07 0.00 -0.00 0.00 0.00 58.73 58.68 2gji h TYR 20 Cb 0.10 -0.16 -0.00 0.00 -0.00 0.00 0.00 36.73 36.67 2gji h TYR 20 CO 0.00 0.22 -0.17 1.05 -0.00 0.00 0.00 178.16 179.26 2gji h GLU 21 N 0.44 0.36 -0.40 0.10 4.11 -1.82 -2.45 114.58 114.93 2gji h GLU 21 Ca 0.31 -0.20 -0.08 0.00 0.07 0.00 0.00 59.36 59.46 2gji h GLU 21 Cb 0.62 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2gji h GLU 21 CO -0.09 0.77 -0.05 1.49 0.07 0.00 0.00 179.01 181.20 2gji h GLU 22 N -0.02 0.73 -0.56 1.06 4.57 -1.57 0.42 114.58 119.22 2gji h GLU 22 Ca 0.02 -0.26 0.04 0.00 -1.18 0.00 0.00 59.36 57.98 2gji h GLU 22 Cb 0.72 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.21 2gji h GLU 22 CO 0.04 0.85 0.31 0.28 -1.18 0.00 0.00 179.01 179.31 2gji h VAL 23 N 0.55 0.99 -0.08 0.32 2.07 -0.67 -2.31 116.25 117.13 2gji h VAL 23 Ca 0.11 -0.20 -0.19 0.00 0.82 0.00 0.00 66.70 67.24 2gji h VAL 23 Cb 0.55 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2gji h VAL 23 CO 0.03 0.11 -0.74 0.24 0.02 0.00 0.00 177.57 177.23 2gji h MET 24 N 0.59 0.41 -0.07 1.57 2.86 -1.36 -3.02 114.93 115.91 2gji h MET 24 Ca 0.24 -0.34 0.02 0.00 -2.06 0.00 0.00 59.70 57.56 2gji h MET 24 Cb 0.10 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 2gji h MET 24 CO -0.14 0.98 0.13 0.87 1.06 0.00 0.00 176.91 179.80 2gji h LYS 25 N 0.28 0.00 -0.72 1.72 6.56 -0.37 -1.57 116.57 122.48 2gji h LYS 25 Ca -0.03 0.00 0.21 0.00 -1.06 0.00 0.00 60.65 59.77 2gji h LYS 25 Cb 1.32 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.95 2gji h LYS 25 CO 0.13 0.00 0.56 1.79 -2.06 0.00 0.00 179.45 179.86 2gji h THR 26 N 0.00 0.54 -3.43 -0.16 1.35 -1.33 -3.36 112.91 106.51 2gji h THR 26 Ca 0.03 0.00 -0.66 0.00 -0.55 0.00 0.00 66.41 65.24 2gji h THR 26 Cb 0.29 0.60 -0.27 0.00 -1.73 0.00 0.00 68.15 67.04 2gji h THR 26 CO -0.00 0.00 -0.71 -0.36 -0.25 0.00 0.00 175.52 174.20 2gji s PHE 27 N -4.89 2.98 0.58 4.73 0.40 -0.59 -4.97 117.98 116.20 2gji s PHE 27 Ca -0.05 -0.82 0.28 0.00 -0.60 0.00 0.00 56.93 55.74 2gji s PHE 27 Cb 0.20 -2.11 1.55 0.00 0.51 0.00 0.00 43.02 43.16 2gji s PHE 27 CO 0.71 -0.49 2.02 -0.44 0.70 0.00 0.00 175.22 177.73 2gji h ASP 28 N 8.03 0.00 -0.60 1.36 3.32 -1.85 -0.37 116.42 126.32 2gji h ASP 28 Ca -0.40 0.00 0.17 0.00 0.02 0.00 0.00 57.03 56.82 2gji h ASP 28 Cb 1.17 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 2gji h ASP 28 CO 0.60 0.00 0.44 0.74 -1.72 0.00 0.00 179.24 179.30 2gji h THR 29 N 0.00 0.68 -2.39 0.35 2.02 -1.92 -3.38 112.91 108.25 2gji h THR 29 Ca 0.15 0.00 -0.53 0.00 0.77 0.00 0.00 66.41 66.80 2gji h THR 29 Cb 0.76 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 2gji h THR 29 CO -0.00 0.00 1.28 -0.69 0.37 0.00 0.00 175.52 176.47 2gji s VAL 30 N -4.98 3.49 0.01 3.16 1.01 -0.15 -0.09 120.40 122.85 2gji s VAL 30 Ca -0.05 0.40 -0.18 0.00 0.00 0.00 0.00 61.98 62.15 2gji s VAL 30 Cb 0.20 -3.94 -0.28 0.00 0.00 0.00 0.00 36.38 32.36 2gji s VAL 30 CO 0.73 -0.79 1.05 -0.08 0.00 0.00 0.00 175.10 176.01 2gji h GLU 31 N 13.49 0.47 -2.39 2.72 4.81 -0.70 -3.46 114.58 129.53 2gji h GLU 31 Ca -0.28 -0.62 0.16 0.00 -0.13 0.00 0.00 59.36 58.48 2gji h GLU 31 Cb 1.15 0.20 -0.09 0.00 0.63 0.00 0.00 28.75 30.64 2gji h GLU 31 CO 1.15 1.25 0.46 0.00 -0.73 0.00 0.00 179.01 181.14 2gji s ALA 32 N -2.93 -1.66 0.07 2.92 0.00 -0.85 -5.00 121.76 114.31 2gji s ALA 32 Ca -0.12 0.26 0.05 0.00 0.00 0.00 0.00 51.96 52.15 2gji s ALA 32 Cb 0.04 0.62 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 2gji s ALA 32 CO 0.87 -0.98 -0.14 0.08 0.00 0.00 0.00 175.76 175.60 2gji s VAL 33 N -3.31 1.08 -0.05 0.00 1.01 -1.26 -0.29 120.40 117.59 2gji s VAL 33 Ca 0.11 -1.33 -0.03 0.00 0.00 0.00 0.00 61.98 60.72 2gji s VAL 33 Cb -0.02 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.30 2gji s VAL 33 CO 0.00 -0.26 0.11 -0.13 0.00 0.00 0.00 175.10 174.82 2gji s ARG 34 N -1.84 0.09 0.60 2.72 1.81 -0.49 -4.99 118.95 116.86 2gji s ARG 34 Ca -0.02 0.23 -0.08 0.00 -1.72 0.00 0.00 55.73 54.15 2gji s ARG 34 Cb -0.09 -0.06 -0.01 0.00 -0.45 0.00 0.00 34.95 34.34 2gji s ARG 34 CO 0.02 -0.08 0.94 -1.59 -0.68 0.00 0.00 175.30 173.91 2gji s LYS 35 N 0.56 3.11 -0.29 3.54 0.00 -1.26 -0.27 119.74 125.13 2gji s LYS 35 Ca -0.04 0.24 -0.11 0.00 0.00 0.00 0.00 55.97 56.06 2gji s LYS 35 Cb -0.06 -2.21 -0.04 0.00 0.00 0.00 0.00 37.83 35.52 2gji s LYS 35 CO -0.02 -0.67 0.19 0.45 0.00 0.00 0.00 175.35 175.30 2gji s SER 36 N -4.26 5.99 0.41 0.03 0.15 -0.51 -4.84 113.70 110.67 2gji s SER 36 Ca 0.54 -0.08 0.16 0.00 0.70 0.00 0.00 55.95 57.27 2gji s SER 36 Cb -0.11 -2.12 0.88 0.00 -1.71 0.00 0.00 66.02 62.97 2gji s SER 36 CO 0.48 -0.08 1.89 0.44 1.20 0.00 0.00 173.24 177.17 2gji h ASP 37 N 8.38 0.00 0.40 5.45 3.32 -1.97 -2.85 116.42 129.15 2gji h ASP 37 Ca -0.35 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.43 2gji h ASP 37 Cb 1.18 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.75 2gji h ASP 37 CO 0.56 0.30 -1.21 0.17 -1.72 0.00 0.00 179.24 177.34 2gji h LEU 38 N 0.00 0.61 -7.58 1.55 -0.00 -1.97 -3.44 115.31 104.48 2gji h LEU 38 Ca -0.00 -0.59 -0.50 0.00 -0.00 0.00 0.00 57.88 56.78 2gji h LEU 38 Cb 0.57 -0.19 -0.38 0.00 -0.00 0.00 0.00 40.66 40.66 2gji h LEU 38 CO 0.04 1.43 -0.79 -1.81 -0.00 0.00 0.00 178.44 177.31 2gji s ASP 39 N -7.26 2.15 0.50 0.17 1.01 -1.08 -5.00 116.67 107.17 2gji s ASP 39 Ca -0.06 -0.33 0.29 0.00 0.71 0.00 0.00 52.55 53.15 2gji s ASP 39 Cb 0.07 -0.70 1.27 0.00 1.01 0.00 0.00 42.92 44.57 2gji s ASP 39 CO 0.90 -0.17 1.97 0.44 0.21 0.00 0.00 175.17 178.52 2gji h ASP 40 N 8.22 0.00 -0.78 0.27 3.32 -1.85 -2.63 116.42 122.97 2gji h ASP 40 Ca -0.24 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.39 2gji h ASP 40 Cb 1.12 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.43 2gji h ASP 40 CO 0.35 0.13 0.53 0.54 -1.72 0.00 0.00 179.24 179.07 2gji n ARG 41 N -3.37 2.01 -3.95 3.56 1.74 -1.26 -4.68 116.66 110.71 2gji n ARG 41 Ca -0.01 -2.38 -0.15 0.00 -0.77 0.00 0.00 57.85 54.55 2gji n ARG 41 Cb 0.32 -1.93 -0.15 0.00 -1.02 0.00 0.00 32.46 29.68 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 -2.68 0.16 0.00 1.55 1.01 -0.99 -3.72 120.40 115.73 2gji s VAL 42 Ca 0.45 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2gji s VAL 42 Cb 0.38 -0.20 -0.00 0.00 0.00 0.00 0.00 36.38 36.55 2gji s VAL 42 CO 0.08 0.10 -0.01 -0.31 0.00 0.00 0.00 175.10 174.96 2gji s TYR 43 N 0.53 0.08 -0.23 5.22 1.51 -0.82 -1.42 117.35 122.23 2gji s TYR 43 Ca -0.05 -0.07 -0.03 0.00 -1.01 0.00 0.00 57.07 55.91 2gji s TYR 43 Cb -0.08 -0.06 0.00 0.00 -0.11 0.00 0.00 41.96 41.72 2gji s TYR 43 CO -0.01 -0.02 -0.06 0.00 -1.11 0.00 0.00 175.55 174.35 2gji s MET 44 N -0.19 3.21 -0.18 -0.62 0.23 0.63 -0.05 119.30 122.33 2gji s MET 44 Ca -0.02 -0.73 -0.15 0.00 -1.03 0.00 0.00 55.69 53.77 2gji s MET 44 Cb -0.01 -2.98 -0.04 0.00 -1.53 0.00 0.00 34.83 30.26 2gji s MET 44 CO -0.00 -0.25 0.35 0.08 -2.03 0.00 0.00 175.02 173.16 2gji s VAL 45 N 1.43 5.25 -0.36 5.16 1.01 0.26 -1.40 120.40 131.75 2gji s VAL 45 Ca 0.04 0.63 -0.14 0.00 0.00 0.00 0.00 61.98 62.51 2gji s VAL 45 Cb -0.15 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 2gji s VAL 45 CO -0.04 0.31 0.31 0.00 0.00 0.00 0.00 175.10 175.68 2gji s LEU 47 N 1.84 4.21 0.22 0.00 1.43 -1.26 -0.10 118.68 125.02 2gji s LEU 47 Ca 0.08 1.65 -0.31 0.00 -1.03 0.00 0.00 54.13 54.53 2gji s LEU 47 Cb -0.17 -4.07 -0.10 0.00 0.03 0.00 0.00 46.19 41.88 2gji s LEU 47 CO 0.11 -0.13 1.51 -0.54 0.23 0.00 0.00 176.35 177.52 2gji s LYS 48 N -2.42 4.23 -0.21 1.70 1.02 0.87 -4.70 119.74 120.23 2gji s LYS 48 Ca 0.52 2.36 -0.36 0.00 0.02 0.00 0.00 55.97 58.51 2gji s LYS 48 Cb -0.15 -3.12 -0.13 0.00 -0.52 0.00 0.00 37.83 33.92 2gji s LYS 48 CO 0.20 -0.52 1.91 0.94 -0.92 0.00 0.00 175.35 176.96 2gji n GLN 49 N 2.92 1.60 0.00 1.68 -0.06 -1.26 -0.20 117.38 122.06 2gji n GLN 49 Ca 0.10 0.56 0.00 0.00 -2.00 0.00 0.00 57.00 55.66 2gji n GLN 49 Cb 0.39 -2.44 0.00 0.00 -4.06 0.00 0.00 30.24 24.13 2gji n GLN 49 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2gji n GLY 50 N 4.82 3.11 3.94 1.69 0.00 -1.26 -5.08 105.19 112.42 2gji n GLY 50 Ca 0.28 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.29 6.08 -0.07 1.61 0.01 0.71 -5.11 113.70 115.64 2gji s SER 51 Ca 0.00 0.51 -0.03 0.00 1.31 0.00 0.00 55.95 57.75 2gji s SER 51 Cb 0.00 -1.88 0.04 0.00 0.21 0.00 0.00 66.02 64.39 2gji s SER 51 CO 0.00 -0.55 0.12 -0.89 0.41 0.00 0.00 173.24 172.33 2gji s THR 52 N -2.54 -0.18 -0.61 1.44 2.01 -1.26 -4.63 115.64 109.87 2gji s THR 52 Ca 0.45 0.34 -0.27 0.00 0.31 0.00 0.00 61.69 62.52 2gji s THR 52 Cb -0.10 -0.23 0.03 0.00 0.01 0.00 0.00 72.50 72.21 2gji s THR 52 CO 0.39 0.14 1.17 0.12 -0.69 0.00 0.00 174.62 175.76 2gji s PHE 53 N 2.02 2.57 -0.10 4.92 2.19 -0.96 -4.92 117.98 123.71 2gji s PHE 53 Ca 0.01 0.25 -0.03 0.00 0.33 0.00 0.00 56.93 57.49 2gji s PHE 53 Cb -0.12 -4.47 -0.03 0.00 -1.31 0.00 0.00 43.02 37.08 2gji s PHE 53 CO -0.05 -1.65 0.02 0.08 1.83 0.00 0.00 175.22 175.45 2gji s VAL 54 N 4.95 4.43 -0.38 3.12 1.01 -1.26 -2.10 120.40 130.16 2gji s VAL 54 Ca 0.39 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.12 2gji s VAL 54 Cb -0.08 -2.88 0.08 0.00 0.00 0.00 0.00 36.38 33.49 2gji s VAL 54 CO 0.22 0.59 0.17 -0.76 0.00 0.00 0.00 175.10 175.33 2gji s LEU 55 N -0.77 4.82 0.40 3.92 2.01 0.11 -4.95 118.68 124.22 2gji s LEU 55 Ca 0.12 -1.59 0.13 0.00 0.01 0.00 0.00 54.13 52.81 2gji s LEU 55 Cb -0.12 -1.86 0.82 0.00 0.01 0.00 0.00 46.19 45.04 2gji s LEU 55 CO 0.02 -0.46 1.89 -1.13 1.01 0.00 0.00 176.35 177.68 2gji h ASN 56 N 8.18 0.00 0.00 2.29 -1.24 -1.96 -2.74 115.58 120.11 2gji h ASN 56 Ca -0.19 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.82 2gji h ASN 56 Cb 1.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.12 2gji h ASN 56 CO 0.67 0.30 -1.05 0.61 -1.29 0.00 0.00 177.43 176.68 2gji n GLY 57 N -0.66 -0.34 1.10 1.57 0.00 -1.26 -4.64 105.19 100.96 2gji n GLY 57 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 1.53 -1.85 0.20 -0.02 0.00 -1.17 -4.04 105.19 99.84 2gji n GLY 58 Ca 0.00 -1.90 0.09 0.00 0.00 0.00 0.00 46.02 44.21 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 0.32 -0.42 -0.61 1.08 -1.93 -3.27 117.51 112.68 2gji h ILE 59 Ca 0.00 -1.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.11 2gji h ILE 59 Cb 0.00 2.08 -0.02 0.00 -3.07 0.00 0.00 36.82 35.81 2gji h ILE 59 CO 0.00 0.18 0.27 -0.33 -0.69 0.00 0.00 178.15 177.57 2gji h GLU 60 N 0.00 0.57 -0.14 2.37 5.08 -1.90 0.22 114.58 120.78 2gji h GLU 60 Ca -0.00 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 2gji h GLU 60 Cb 1.06 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 2gji h GLU 60 CO 0.02 0.40 -0.35 1.05 -1.00 0.00 0.00 179.01 179.13 2gji h GLU 61 N 0.57 0.28 -0.17 2.33 4.11 -1.75 -2.87 114.58 117.07 2gji h GLU 61 Ca 0.15 -0.12 -0.16 0.00 0.07 0.00 0.00 59.36 59.31 2gji h GLU 61 Cb -0.03 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2gji h GLU 61 CO -0.03 0.61 -0.54 1.25 0.07 0.00 0.00 179.01 180.36 2gji h LEU 62 N 0.24 0.58 -0.92 3.06 5.85 -1.49 -3.09 115.31 119.55 2gji h LEU 62 Ca 0.03 -0.31 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 2gji h LEU 62 Cb 0.74 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 2gji h LEU 62 CO 0.06 1.01 0.10 0.03 -0.34 0.00 0.00 178.44 179.29 2gji h ARG 63 N 0.40 0.89 -0.89 1.25 3.08 -0.76 -2.75 114.38 115.60 2gji h ARG 63 Ca 0.01 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 2gji h ARG 63 Cb 1.08 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.97 2gji h ARG 63 CO 0.10 0.83 0.49 -0.07 -1.07 0.00 0.00 179.97 180.25 2gji h LEU 64 N 0.85 1.11 0.03 3.04 3.38 -1.43 0.26 115.31 122.54 2gji h LEU 64 Ca 0.18 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2gji h LEU 64 Cb 0.37 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2gji h LEU 64 CO 0.01 0.89 -0.04 -0.07 0.09 0.00 0.00 178.44 179.32 2gji h LEU 65 N 1.25 -0.11 -1.83 1.67 3.38 -1.44 -2.67 115.31 115.55 2gji h LEU 65 Ca 0.31 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 2gji h LEU 65 Cb 0.02 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2gji h LEU 65 CO -0.05 -0.05 -0.13 0.00 0.09 0.00 0.00 178.44 178.30 2gji h THR 66 N -0.07 0.91 0.00 0.22 1.03 -1.57 -3.46 112.91 109.98 2gji h THR 66 Ca -0.00 -0.49 0.00 0.00 -0.01 0.00 0.00 66.41 65.91 2gji h THR 66 Cb 0.06 1.28 0.00 0.00 -1.07 0.00 0.00 68.15 68.42 2gji h THR 66 CO -0.01 0.13 0.00 0.61 -0.01 0.00 0.00 175.52 176.24 2gji n GLY 67 N -1.01 0.66 3.35 2.99 0.00 0.86 -5.05 105.19 106.99 2gji n GLY 67 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.87 5.38 0.46 1.61 2.15 -0.87 -4.93 116.67 117.60 2gji s ASP 68 Ca 0.00 -0.85 0.24 0.00 0.43 0.00 0.00 52.55 52.37 2gji s ASP 68 Cb 0.00 -1.93 1.10 0.00 -0.30 0.00 0.00 42.92 41.79 2gji s ASP 68 CO 0.00 -0.27 1.91 -1.28 -0.17 0.00 0.00 175.17 175.36 2gji h SER 69 N 8.30 0.00 0.63 -0.34 0.87 -1.97 -2.35 113.55 118.69 2gji h SER 69 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2gji h SER 69 Cb 1.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2gji h SER 69 CO 0.62 0.21 0.00 0.74 -0.53 0.00 0.00 176.83 177.87 2gji h THR 70 N 0.00 0.00 -2.06 2.23 2.02 -1.92 -3.43 112.91 109.74 2gji h THR 70 Ca -0.00 -0.22 -0.58 0.00 0.77 0.00 0.00 66.41 66.38 2gji h THR 70 Cb 0.60 0.96 0.01 0.00 -1.74 0.00 0.00 68.15 67.97 2gji h THR 70 CO 0.03 0.00 1.41 -0.11 0.37 0.00 0.00 175.52 177.22 2gji n LEU 71 N -2.37 3.50 -4.09 2.58 0.00 -0.88 -4.39 117.00 111.35 2gji n LEU 71 Ca 0.01 0.43 -0.16 0.00 0.00 0.00 0.00 56.01 56.30 2gji n LEU 71 Cb 0.20 -1.54 -0.12 0.00 0.00 0.00 0.00 43.42 41.97 2gji n LEU 71 CO 0.19 -0.41 -0.42 -1.61 0.00 0.00 0.00 177.39 175.13 2gji s GLU 72 N 5.75 0.64 -0.14 1.96 2.02 -0.76 -4.73 118.70 123.43 2gji s GLU 72 Ca 0.97 -0.74 -0.05 0.00 0.02 0.00 0.00 54.97 55.18 2gji s GLU 72 Cb -0.39 -0.52 -0.03 0.00 0.10 0.00 0.00 34.13 33.29 2gji s GLU 72 CO 0.38 0.11 0.01 0.42 0.02 0.00 0.00 175.26 176.21 2gji s ILE 73 N -1.14 4.36 0.12 -1.63 1.01 -1.26 -1.72 121.20 120.94 2gji s ILE 73 Ca -0.05 -0.20 0.06 0.00 0.00 0.00 0.00 60.65 60.46 2gji s ILE 73 Cb -0.09 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 2gji s ILE 73 CO 0.01 0.52 -0.15 -1.10 0.00 0.00 0.00 174.94 174.22 2gji s GLN 74 N -0.04 1.03 -0.51 2.79 -0.21 0.52 -4.98 119.66 118.26 2gji s GLN 74 Ca 0.04 -1.20 -0.27 0.00 0.02 0.00 0.00 55.36 53.94 2gji s GLN 74 Cb -0.13 -0.98 -0.02 0.00 1.00 0.00 0.00 33.01 32.88 2gji s GLN 74 CO 0.02 0.20 1.80 -1.25 -2.12 0.00 0.00 175.29 173.94 2gji s PRO 75 N -2.46 2.93 0.07 2.91 0.04 -1.26 -0.95 135.00 136.27 2gji s PRO 75 Ca 0.08 0.89 -0.35 0.00 0.04 0.00 0.00 61.00 61.66 2gji s PRO 75 Cb -0.06 -4.30 -0.14 0.00 0.04 0.00 0.00 34.50 30.04 2gji s PRO 75 CO 0.03 -2.36 1.63 -0.12 0.04 0.00 0.00 177.00 176.22 2gji n MET 76 N 8.85 1.99 -2.89 4.56 1.56 -1.26 -4.85 117.12 125.09 2gji n MET 76 Ca 0.21 0.72 -0.41 0.00 -0.27 0.00 0.00 57.70 57.95 2gji n MET 76 Cb 0.50 -2.49 -0.04 0.00 2.15 0.00 0.00 33.22 33.34 2gji n MET 76 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 2gji s ILE 77 N 1.72 4.95 -0.17 1.12 1.01 -1.26 -4.95 121.20 123.62 2gji s ILE 77 Ca 0.84 1.71 -0.10 0.00 0.00 0.00 0.00 60.65 63.10 2gji s ILE 77 Cb -0.73 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 37.53 2gji s ILE 77 CO 0.43 0.17 0.15 -0.69 0.00 0.00 0.00 174.94 175.01 2gji s VAL 78 N 1.15 5.42 1.02 2.92 1.01 -1.26 -5.09 120.40 125.56 2gji s VAL 78 Ca 0.43 0.24 -0.13 0.00 0.00 0.00 0.00 61.98 62.52 2gji s VAL 78 Cb -0.19 -3.47 0.20 0.00 0.00 0.00 0.00 36.38 32.93 2gji s VAL 78 CO 0.20 0.49 1.09 -2.16 0.00 0.00 0.00 175.10 174.73 2gji s PRO 79 N -0.10 0.27 -0.18 2.72 0.04 -1.26 -5.03 135.00 131.46 2gji s PRO 79 Ca 0.11 0.47 -0.11 0.00 0.04 0.00 0.00 61.00 61.51 2gji s PRO 79 Cb -0.12 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 2gji s PRO 79 CO 0.01 -2.83 0.19 0.99 0.04 0.00 0.00 177.00 175.40 2gji s THR 80 N -2.97 5.37 0.18 1.26 2.01 -1.26 -5.09 115.64 115.14 2gji s THR 80 Ca 0.66 0.33 0.04 0.00 0.31 0.00 0.00 61.69 63.02 2gji s THR 80 Cb -0.19 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 2gji s THR 80 CO 0.58 0.42 0.24 0.42 -0.69 0.00 0.00 174.62 175.60 2gji s THR 81 N 0.37 4.98 -1.25 -0.82 -4.23 -1.26 -5.37 115.64 108.05 2gji s THR 81 Ca 0.11 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 2gji s THR 81 Cb -0.12 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.13 2gji s THR 81 CO 0.00 -0.16 0.31 -0.62 -0.54 0.00 0.00 174.62 173.61