#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 2.05 0.57 3.04 0.00 -1.25 -5.02 121.76 121.15 2gji s ALA 2 Ca 0.00 -2.74 -0.18 0.00 0.00 0.00 0.00 51.96 49.04 2gji s ALA 2 Cb 0.00 -1.78 -0.07 0.00 0.00 0.00 0.00 23.12 21.27 2gji s ALA 2 CO 0.00 -2.03 0.73 0.25 0.00 0.00 0.00 175.76 174.71 2gji n THR 3 N 2.89 2.88 -3.65 0.00 -2.24 -1.26 -3.75 114.28 109.15 2gji n THR 3 Ca 0.22 -0.50 -0.17 0.00 -2.27 0.00 0.00 64.05 61.33 2gji n THR 3 Cb 0.41 -0.89 -0.15 0.00 -2.10 0.00 0.00 70.33 67.60 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 -1.61 -0.19 -0.09 4.78 5.36 -1.11 -4.85 117.98 120.27 2gji s PHE 4 Ca 0.72 0.57 0.04 0.00 -0.96 0.00 0.00 56.93 57.29 2gji s PHE 4 Cb -0.44 -0.27 -0.01 0.00 -0.34 0.00 0.00 43.02 41.96 2gji s PHE 4 CO 0.51 -0.31 -0.22 -1.14 -1.46 0.00 0.00 175.22 172.61 2gji s GLN 5 N 2.30 2.98 -0.07 10.12 -0.44 -1.26 -0.03 119.66 133.25 2gji s GLN 5 Ca 0.03 -0.84 -0.01 0.00 -2.50 0.00 0.00 55.36 52.04 2gji s GLN 5 Cb -0.12 -2.34 0.03 0.00 -1.64 0.00 0.00 33.01 28.93 2gji s GLN 5 CO -0.07 0.25 0.01 -0.08 0.50 0.00 0.00 175.29 175.91 2gji s THR 6 N 0.18 0.33 -0.49 -0.34 -1.32 -0.75 -5.01 115.64 108.23 2gji s THR 6 Ca -0.12 0.15 -0.02 0.00 -1.21 0.00 0.00 61.69 60.49 2gji s THR 6 Cb -0.16 -0.49 0.23 0.00 -1.51 0.00 0.00 72.50 70.57 2gji s THR 6 CO 0.07 0.25 2.24 -0.67 -2.21 0.00 0.00 174.62 174.30 2gji n ASP 7 N 5.14 6.85 -3.59 8.08 -0.08 -1.26 -1.76 116.55 129.93 2gji n ASP 7 Ca -0.07 -3.34 0.02 0.00 -1.51 0.00 0.00 54.79 49.89 2gji n ASP 7 Cb 0.50 -1.09 -0.01 0.00 2.34 0.00 0.00 41.12 42.86 2gji n ASP 7 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2gji s ALA 8 N -2.45 -2.36 0.79 -1.67 0.00 -1.26 -4.95 121.76 109.86 2gji s ALA 8 Ca 0.48 1.10 -0.15 0.00 0.00 0.00 0.00 51.96 53.39 2gji s ALA 8 Cb 0.36 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 2gji s ALA 8 CO -0.11 -0.94 0.52 -0.40 0.00 0.00 0.00 175.76 174.83 2gji n ASP 9 N -0.38 -1.35 -3.96 0.00 5.68 -1.26 -4.79 116.55 110.49 2gji n ASP 9 Ca -0.06 0.52 -0.09 0.00 -0.50 0.00 0.00 54.79 54.66 2gji n ASP 9 Cb 0.62 -1.22 -0.07 0.00 -1.14 0.00 0.00 41.12 39.30 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 -2.04 0.40 -0.06 2.11 -0.12 -0.80 -3.75 117.98 113.73 2gji s PHE 10 Ca 0.63 -0.77 -0.03 0.00 -0.05 0.00 0.00 56.93 56.71 2gji s PHE 10 Cb -0.31 -0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 41.94 2gji s PHE 10 CO 0.60 -0.67 0.11 -0.51 -0.05 0.00 0.00 175.22 174.70 2gji s LEU 11 N -2.95 4.10 -0.09 -1.99 1.43 0.28 -0.19 118.68 119.27 2gji s LEU 11 Ca 0.15 0.29 0.04 0.00 -1.03 0.00 0.00 54.13 53.59 2gji s LEU 11 Cb 0.04 -2.21 -0.00 0.00 0.03 0.00 0.00 46.19 44.05 2gji s LEU 11 CO -0.02 0.33 -0.24 -0.22 0.23 0.00 0.00 176.35 176.43 2gji s LEU 12 N -1.42 2.07 -0.13 1.79 2.96 0.81 -0.77 118.68 123.99 2gji s LEU 12 Ca 0.20 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 2gji s LEU 12 Cb -0.12 -1.38 0.01 0.00 0.50 0.00 0.00 46.19 45.20 2gji s LEU 12 CO 0.10 0.17 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.42 2gji s VAL 13 N 0.28 1.79 0.00 1.68 1.01 -0.80 -1.31 120.40 123.05 2gji s VAL 13 Ca -0.17 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.00 2gji s VAL 13 Cb -0.17 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.60 2gji s VAL 13 CO 0.08 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2gji n GLY 14 N 4.17 3.55 0.69 4.51 0.00 -1.24 -1.32 105.19 115.55 2gji n GLY 14 Ca -0.19 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 45.72 2gji n GLY 14 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gji n ASP 15 N 0.00 2.41 -3.39 1.61 9.92 -1.26 -4.93 116.55 120.91 2gji n ASP 15 Ca 0.00 -3.55 -0.14 0.00 -0.53 0.00 0.00 54.79 50.57 2gji n ASP 15 Cb 0.00 -0.54 0.02 0.00 -0.64 0.00 0.00 41.12 39.96 2gji n ASP 15 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2gji n ASP 16 N -1.11 -6.45 -4.76 -2.24 8.00 -1.26 -4.93 116.55 103.80 2gji n ASP 16 Ca 0.23 -0.56 -0.40 0.00 0.71 0.00 0.00 54.79 54.78 2gji n ASP 16 Cb 0.81 -4.01 -0.05 0.00 -0.02 0.00 0.00 41.12 37.85 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 -3.14 3.64 -0.10 -3.53 -4.23 -1.26 -4.92 115.64 102.10 2gji s THR 17 Ca 0.15 1.61 0.29 0.00 -1.18 0.00 0.00 61.69 62.56 2gji s THR 17 Cb -0.04 -4.01 0.32 0.00 1.34 0.00 0.00 72.50 70.11 2gji s THR 17 CO 0.81 0.35 1.88 -1.28 -0.54 0.00 0.00 174.62 175.84 2gji h SER 18 N 3.76 0.00 -0.66 3.99 0.87 -1.99 -1.52 113.55 117.99 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 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2gji h SER 18 CO 0.67 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 177.51 2gji n ARG 19 N -2.63 3.77 -0.13 2.24 1.74 -1.26 -4.46 116.66 115.93 2gji n ARG 19 Ca 0.00 -2.91 0.12 0.00 -0.77 0.00 0.00 57.85 54.29 2gji n ARG 19 Cb 0.20 -1.91 0.48 0.00 -1.02 0.00 0.00 32.46 30.22 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 4.17 0.50 0.03 -1.55 -0.00 -1.66 0.17 116.97 118.63 2gji h TYR 20 Ca 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 58.73 58.74 2gji h TYR 20 Cb 1.47 -0.16 0.00 0.00 -0.00 0.00 0.00 36.73 38.04 2gji h TYR 20 CO 0.78 0.23 -0.01 0.93 -0.00 0.00 0.00 178.16 180.08 2gji h GLU 21 N 0.46 -0.04 -0.63 0.10 5.08 -1.83 -2.51 114.58 115.22 2gji h GLU 21 Ca 0.32 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 2gji h GLU 21 Cb 0.61 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 2gji h GLU 21 CO -0.10 0.45 0.30 1.49 -1.00 0.00 0.00 179.01 180.16 2gji h GLU 22 N -0.55 0.90 -0.54 2.33 4.57 -1.72 0.26 114.58 119.84 2gji h GLU 22 Ca -0.00 -0.13 0.04 0.00 -1.18 0.00 0.00 59.36 58.09 2gji h GLU 22 Cb 0.51 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.89 2gji h GLU 22 CO 0.01 0.72 0.29 0.28 -1.18 0.00 0.00 179.01 179.13 2gji h VAL 23 N 0.86 0.98 -0.04 0.32 2.07 -0.72 -1.00 116.25 118.73 2gji h VAL 23 Ca 0.21 -0.19 -0.21 0.00 0.82 0.00 0.00 66.70 67.33 2gji h VAL 23 Cb 0.12 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2gji h VAL 23 CO -0.03 0.10 -0.85 0.24 0.02 0.00 0.00 177.57 177.06 2gji h MET 24 N 0.56 0.42 0.00 1.57 2.86 -1.20 -3.09 114.93 116.05 2gji h MET 24 Ca 0.23 -0.40 -0.02 0.00 -2.06 0.00 0.00 59.70 57.46 2gji h MET 24 Cb 0.11 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 2gji h MET 24 CO -0.15 1.05 -0.08 0.87 1.06 0.00 0.00 176.91 179.67 2gji h LYS 25 N 0.26 0.00 -0.53 1.72 6.56 0.00 -2.39 116.57 122.19 2gji h LYS 25 Ca -0.06 0.00 0.15 0.00 -1.06 0.00 0.00 60.65 59.68 2gji h LYS 25 Cb 1.46 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 33.10 2gji h LYS 25 CO 0.15 0.08 0.51 0.00 -2.06 0.00 0.00 179.45 178.13 2gji h THR 26 N 0.00 0.40 -3.51 -0.16 1.03 -1.11 -3.37 112.91 106.19 2gji h THR 26 Ca -0.00 0.00 -0.65 0.00 -0.01 0.00 0.00 66.41 65.75 2gji h THR 26 Cb 0.24 0.60 -0.24 0.00 -1.07 0.00 0.00 68.15 67.68 2gji h THR 26 CO 0.01 0.00 -0.66 0.12 -0.01 0.00 0.00 175.52 174.98 2gji s PHE 27 N -4.69 3.04 0.56 0.00 2.19 -0.90 -4.97 117.98 113.22 2gji s PHE 27 Ca -0.04 -0.55 0.28 0.00 0.33 0.00 0.00 56.93 56.94 2gji s PHE 27 Cb 0.17 -2.16 1.48 0.00 -1.31 0.00 0.00 43.02 41.20 2gji s PHE 27 CO 0.59 -0.36 1.97 0.22 1.83 0.00 0.00 175.22 179.46 2gji h ASP 28 N 7.95 0.00 -0.89 6.13 3.58 -1.85 -0.37 116.42 130.97 2gji h ASP 28 Ca -0.38 0.00 0.18 0.00 0.42 0.00 0.00 57.03 57.25 2gji h ASP 28 Cb 1.17 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.15 2gji h ASP 28 CO 0.60 0.00 0.58 0.71 -2.88 0.00 0.00 179.24 178.25 2gji h THR 29 N 0.00 0.74 -3.31 2.25 1.35 -1.91 -3.41 112.91 108.62 2gji h THR 29 Ca 0.23 -0.18 -0.53 0.00 -0.55 0.00 0.00 66.41 65.39 2gji h THR 29 Cb 1.07 0.17 0.01 0.00 -1.73 0.00 0.00 68.15 67.67 2gji h THR 29 CO -0.00 0.10 0.59 -0.69 -0.25 0.00 0.00 175.52 175.26 2gji s VAL 30 N -5.54 3.67 -0.14 6.82 1.01 -0.15 -0.09 120.40 125.98 2gji s VAL 30 Ca -0.09 1.29 -0.01 0.00 0.00 0.00 0.00 61.98 63.17 2gji s VAL 30 Cb 0.23 -3.83 -0.08 0.00 0.00 0.00 0.00 36.38 32.70 2gji s VAL 30 CO 0.78 0.15 -0.14 1.21 0.00 0.00 0.00 175.10 177.11 2gji n GLU 31 N 3.20 0.34 -3.58 2.72 2.13 0.87 -4.66 120.64 121.66 2gji n GLU 31 Ca 0.07 0.10 -0.11 0.00 0.66 0.00 0.00 57.16 57.88 2gji n GLU 31 Cb 0.45 -1.20 -0.03 0.00 0.27 0.00 0.00 31.44 30.92 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 -2.27 -1.24 0.01 4.31 0.00 -0.84 -5.00 121.76 116.73 2gji s ALA 32 Ca -0.19 0.13 0.04 0.00 0.00 0.00 0.00 51.96 51.93 2gji s ALA 32 Cb 0.06 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 23.99 2gji s ALA 32 CO 0.30 -0.76 -0.11 0.08 0.00 0.00 0.00 175.76 175.27 2gji s VAL 33 N -3.80 0.88 -0.02 0.00 1.01 -1.26 -0.78 120.40 116.42 2gji s VAL 33 Ca 0.04 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 2gji s VAL 33 Cb -0.01 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.61 2gji s VAL 33 CO -0.09 0.08 0.04 -0.13 0.00 0.00 0.00 175.10 175.00 2gji s ARG 34 N -0.70 0.01 0.52 2.72 1.81 -0.83 -5.01 118.95 117.47 2gji s ARG 34 Ca 0.02 0.13 -0.19 0.00 -1.72 0.00 0.00 55.73 53.97 2gji s ARG 34 Cb -0.06 -0.10 -0.07 0.00 -0.45 0.00 0.00 34.95 34.27 2gji s ARG 34 CO 0.00 -0.08 1.05 -1.59 -0.68 0.00 0.00 175.30 174.00 2gji s LYS 35 N 0.53 3.64 -0.31 3.54 0.00 -1.26 -0.57 119.74 125.31 2gji s LYS 35 Ca -0.04 1.31 -0.21 0.00 0.00 0.00 0.00 55.97 57.02 2gji s LYS 35 Cb -0.06 -2.07 -0.01 0.00 0.00 0.00 0.00 37.83 35.69 2gji s LYS 35 CO -0.02 -0.56 0.69 -1.12 0.00 0.00 0.00 175.35 174.34 2gji s SER 36 N -2.25 6.56 0.34 0.03 0.01 -0.31 -4.83 113.70 113.25 2gji s SER 36 Ca 0.66 0.51 0.05 0.00 1.31 0.00 0.00 55.95 58.48 2gji s SER 36 Cb -0.16 -2.36 0.63 0.00 0.21 0.00 0.00 66.02 64.34 2gji s SER 36 CO 0.26 -0.53 1.89 -2.24 0.41 0.00 0.00 173.24 173.03 2gji h ASP 37 N 8.16 0.48 -0.12 2.44 2.03 -1.95 -2.82 116.42 124.63 2gji h ASP 37 Ca -0.26 -0.08 -0.20 0.00 -0.73 0.00 0.00 57.03 55.75 2gji h ASP 37 Cb 1.11 -0.12 0.01 0.00 -0.83 0.00 0.00 39.33 39.50 2gji h ASP 37 CO 0.83 0.54 -0.72 -0.07 -1.03 0.00 0.00 179.24 178.78 2gji h LEU 38 N 0.49 0.85 -7.72 0.15 3.38 -1.97 -3.42 115.31 107.07 2gji h LEU 38 Ca 0.11 -0.65 -0.58 0.00 0.09 0.00 0.00 57.88 56.85 2gji h LEU 38 Cb 0.30 -0.25 -0.37 0.00 0.09 0.00 0.00 40.66 40.43 2gji h LEU 38 CO 0.01 1.36 -0.80 -1.81 0.09 0.00 0.00 178.44 177.28 2gji s ASP 39 N -7.00 2.99 0.51 -0.43 1.01 -1.07 -4.99 116.67 107.70 2gji s ASP 39 Ca -0.11 -0.71 0.29 0.00 0.71 0.00 0.00 52.55 52.73 2gji s ASP 39 Cb 0.07 -1.06 1.36 0.00 1.01 0.00 0.00 42.92 44.30 2gji s ASP 39 CO 0.88 -0.15 2.01 -0.78 0.21 0.00 0.00 175.17 177.35 2gji h ASP 40 N 8.06 0.00 -0.78 0.27 1.82 -1.83 -2.47 116.42 121.50 2gji h ASP 40 Ca -0.28 0.00 -0.41 0.00 -0.39 0.00 0.00 57.03 55.95 2gji h ASP 40 Cb 1.11 0.00 -0.24 0.00 0.68 0.00 0.00 39.33 40.88 2gji h ASP 40 CO 0.45 0.13 0.53 0.54 -1.61 0.00 0.00 179.24 179.27 2gji n ARG 41 N -3.45 2.00 -3.87 0.28 5.12 -1.26 -4.84 116.66 110.64 2gji n ARG 41 Ca -0.01 -2.35 -0.12 0.00 -1.93 0.00 0.00 57.85 53.44 2gji n ARG 41 Cb 0.29 -1.92 -0.13 0.00 -1.16 0.00 0.00 32.46 29.53 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 -2.65 0.01 -0.01 1.55 1.01 -0.93 -3.66 120.40 115.73 2gji s VAL 42 Ca 0.45 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2gji s VAL 42 Cb 0.37 -0.09 0.01 0.00 0.00 0.00 0.00 36.38 36.68 2gji s VAL 42 CO 0.08 -0.06 -0.00 -0.31 0.00 0.00 0.00 175.10 174.81 2gji s TYR 43 N -0.16 0.18 -0.29 5.22 1.51 -0.43 -1.17 117.35 122.21 2gji s TYR 43 Ca -0.02 0.01 -0.15 0.00 -1.01 0.00 0.00 57.07 55.90 2gji s TYR 43 Cb -0.01 -0.21 -0.03 0.00 -0.11 0.00 0.00 41.96 41.59 2gji s TYR 43 CO -0.00 -0.05 0.35 0.00 -1.11 0.00 0.00 175.55 174.74 2gji s MET 44 N 0.44 3.92 -0.34 -0.62 0.23 0.26 -0.14 119.30 123.06 2gji s MET 44 Ca -0.04 -0.09 -0.15 0.00 -1.03 0.00 0.00 55.69 54.38 2gji s MET 44 Cb -0.06 -3.69 -0.01 0.00 -1.53 0.00 0.00 34.83 29.54 2gji s MET 44 CO -0.01 -0.32 0.37 0.08 -2.03 0.00 0.00 175.02 173.11 2gji s VAL 45 N 2.03 5.16 -0.43 5.16 1.01 0.74 -1.96 120.40 132.11 2gji s VAL 45 Ca 0.13 0.10 -0.20 0.00 0.00 0.00 0.00 61.98 62.01 2gji s VAL 45 Cb -0.16 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.42 2gji s VAL 45 CO 0.10 -0.08 0.59 0.00 0.00 0.00 0.00 175.10 175.72 2gji s LEU 47 N 2.66 4.00 0.72 0.00 1.43 -1.26 -0.09 118.68 126.13 2gji s LEU 47 Ca 0.20 1.84 -0.16 0.00 -1.03 0.00 0.00 54.13 54.99 2gji s LEU 47 Cb -0.15 -4.42 0.02 0.00 0.03 0.00 0.00 46.19 41.67 2gji s LEU 47 CO 0.18 -0.48 1.11 0.29 0.23 0.00 0.00 176.35 177.68 2gji n LYS 48 N -0.49 0.60 -1.85 1.70 5.02 0.88 -4.69 118.16 119.33 2gji n LYS 48 Ca 0.07 0.26 -0.43 0.00 -2.02 0.00 0.00 58.31 56.19 2gji n LYS 48 Cb 0.52 -2.35 -0.03 0.00 -0.02 0.00 0.00 35.03 33.15 2gji n LYS 48 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2gji s GLN 49 N -3.51 3.26 0.00 1.97 -1.52 -1.26 -1.51 119.66 117.09 2gji s GLN 49 Ca 0.76 1.66 0.00 0.00 -1.95 0.00 0.00 55.36 55.83 2gji s GLN 49 Cb -0.34 -4.26 0.00 0.00 -0.22 0.00 0.00 33.01 28.18 2gji s GLN 49 CO 0.48 -1.95 0.00 0.41 -0.25 0.00 0.00 175.29 173.98 2gji n GLY 50 N 5.55 0.92 3.74 3.09 0.00 -1.26 -5.09 105.19 112.14 2gji n GLY 50 Ca 0.26 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.06 4.96 -0.13 1.61 0.01 -0.57 -5.13 113.70 112.39 2gji s SER 51 Ca 0.00 -0.53 -0.04 0.00 1.31 0.00 0.00 55.95 56.69 2gji s SER 51 Cb 0.00 -1.01 0.06 0.00 0.21 0.00 0.00 66.02 65.28 2gji s SER 51 CO 0.00 -0.11 0.21 -0.89 0.41 0.00 0.00 173.24 172.86 2gji s THR 52 N -2.28 -0.33 -0.57 1.44 2.01 -1.26 -4.44 115.64 110.20 2gji s THR 52 Ca 0.34 0.21 -0.28 0.00 0.31 0.00 0.00 61.69 62.27 2gji s THR 52 Cb -0.06 -0.45 0.02 0.00 0.01 0.00 0.00 72.50 72.02 2gji s THR 52 CO 0.23 0.04 1.35 0.12 -0.69 0.00 0.00 174.62 175.67 2gji s PHE 53 N 2.34 2.37 -0.15 4.92 2.19 -0.72 -4.89 117.98 124.04 2gji s PHE 53 Ca 0.03 0.44 -0.05 0.00 0.33 0.00 0.00 56.93 57.68 2gji s PHE 53 Cb -0.13 -4.43 -0.03 0.00 -1.31 0.00 0.00 43.02 37.11 2gji s PHE 53 CO -0.08 -1.88 0.02 0.08 1.83 0.00 0.00 175.22 175.18 2gji s VAL 54 N 5.74 4.39 -0.45 3.12 1.01 -1.26 -1.81 120.40 131.14 2gji s VAL 54 Ca 0.49 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.17 2gji s VAL 54 Cb -0.10 -2.93 0.09 0.00 0.00 0.00 0.00 36.38 33.43 2gji s VAL 54 CO 0.25 0.50 0.33 -0.76 0.00 0.00 0.00 175.10 175.42 2gji s LEU 55 N 0.12 5.46 0.37 3.92 1.02 0.95 -4.93 118.68 125.59 2gji s LEU 55 Ca 0.02 -1.52 0.11 0.00 0.02 0.00 0.00 54.13 52.76 2gji s LEU 55 Cb -0.13 -2.07 0.73 0.00 0.02 0.00 0.00 46.19 44.74 2gji s LEU 55 CO 0.02 -0.62 1.86 0.78 0.02 0.00 0.00 176.35 178.41 2gji h ASN 56 N 8.56 0.13 -0.00 2.29 2.35 -1.97 -2.89 115.58 124.05 2gji h ASN 56 Ca -0.25 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 2gji h ASN 56 Cb 1.09 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.43 2gji h ASN 56 CO 0.83 0.40 -0.59 0.61 -1.65 0.00 0.00 177.43 177.03 2gji n GLY 57 N -0.64 -0.29 3.29 2.83 0.00 -1.26 -4.70 105.19 104.43 2gji n GLY 57 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 1.28 -1.73 0.18 -0.02 0.00 -1.12 -3.80 105.19 99.97 2gji n GLY 58 Ca 0.04 -1.68 0.07 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.38 -0.61 1.08 -1.92 -3.15 117.51 113.08 2gji h ILE 59 Ca 0.00 -1.68 -0.01 0.00 -0.39 0.00 0.00 64.86 62.78 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 0.30 0.21 -0.33 -0.69 0.00 0.00 178.15 177.64 2gji h GLU 60 N 0.00 0.53 -0.08 2.37 5.08 -1.89 -0.77 114.58 119.83 2gji h GLU 60 Ca -0.00 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 2gji h GLU 60 Cb 1.17 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2gji h GLU 60 CO 0.04 0.43 -0.61 1.05 -1.00 0.00 0.00 179.01 178.92 2gji h GLU 61 N 0.49 0.27 -0.30 2.33 -0.00 -1.70 -3.07 114.58 112.60 2gji h GLU 61 Ca 0.13 -0.19 -0.09 0.00 -0.00 0.00 0.00 59.36 59.21 2gji h GLU 61 Cb 0.05 0.03 -0.02 0.00 -0.00 0.00 0.00 28.75 28.82 2gji h GLU 61 CO -0.02 0.80 -0.19 1.25 -0.00 0.00 0.00 179.01 180.84 2gji h LEU 62 N 0.20 0.54 -0.91 3.06 5.85 -1.44 -2.80 115.31 119.81 2gji h LEU 62 Ca -0.01 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 2gji h LEU 62 Cb 1.12 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 2gji h LEU 62 CO 0.10 0.74 0.13 0.03 -0.34 0.00 0.00 178.44 179.10 2gji h ARG 63 N 0.49 0.93 -0.43 1.25 3.08 -1.05 -2.64 114.38 116.00 2gji h ARG 63 Ca 0.08 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 2gji h ARG 63 Cb 0.61 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 2gji h ARG 63 CO 0.04 0.84 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.70 2gji h LEU 64 N 0.88 0.67 0.10 3.04 3.38 -1.47 0.31 115.31 122.22 2gji h LEU 64 Ca 0.19 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2gji h LEU 64 Cb 0.34 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2gji h LEU 64 CO 0.00 0.75 -0.29 -0.07 0.09 0.00 0.00 178.44 178.92 2gji h LEU 65 N 0.66 -0.87 -0.74 1.67 3.38 -1.30 -2.63 115.31 115.49 2gji h LEU 65 Ca 0.13 0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 2gji h LEU 65 Cb 0.43 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2gji h LEU 65 CO 0.02 -0.32 -0.39 0.00 0.09 0.00 0.00 178.44 177.84 2gji h THR 66 N -0.44 0.84 -0.01 0.22 1.03 -1.57 -3.47 112.91 109.50 2gji h THR 66 Ca -0.01 -1.64 0.00 0.00 -0.01 0.00 0.00 66.41 64.75 2gji h THR 66 Cb 0.43 2.03 0.00 0.00 -1.07 0.00 0.00 68.15 69.54 2gji h THR 66 CO -0.14 0.38 0.00 0.61 -0.01 0.00 0.00 175.52 176.36 2gji n GLY 67 N 0.46 1.32 2.75 2.99 0.00 0.84 -5.05 105.19 108.49 2gji n GLY 67 Ca 0.00 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.41 2.26 0.42 1.61 2.15 0.16 -4.98 116.67 115.88 2gji s ASP 68 Ca 0.00 -0.47 0.21 0.00 0.43 0.00 0.00 52.55 52.72 2gji s ASP 68 Cb 0.00 -0.51 0.92 0.00 -0.30 0.00 0.00 42.92 43.04 2gji s ASP 68 CO 0.00 -0.25 1.85 0.28 -0.17 0.00 0.00 175.17 176.88 2gji h SER 69 N 8.29 0.00 0.78 -0.34 0.02 -1.98 -2.44 113.55 117.88 2gji h SER 69 Ca -0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2gji h SER 69 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 2gji h SER 69 CO 0.30 0.28 0.00 0.71 -1.14 0.00 0.00 176.83 176.99 2gji h THR 70 N 0.00 0.00 -1.50 -2.27 1.35 -1.94 -3.44 112.91 105.10 2gji h THR 70 Ca -0.00 -0.32 -0.64 0.00 -0.55 0.00 0.00 66.41 64.90 2gji h THR 70 Cb 0.69 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 2gji h THR 70 CO 0.04 0.00 1.38 -0.11 -0.25 0.00 0.00 175.52 176.58 2gji n LEU 71 N -2.60 2.67 -4.30 3.87 0.00 -0.92 -4.42 117.00 111.30 2gji n LEU 71 Ca 0.01 0.45 -0.17 0.00 0.00 0.00 0.00 56.01 56.30 2gji n LEU 71 Cb 0.24 -1.36 -0.10 0.00 0.00 0.00 0.00 43.42 42.20 2gji n LEU 71 CO 0.22 -0.61 -0.44 -1.61 0.00 0.00 0.00 177.39 174.96 2gji s GLU 72 N 5.87 1.21 -0.08 1.96 2.02 -0.43 -4.77 118.70 124.46 2gji s GLU 72 Ca 1.04 -1.49 0.04 0.00 0.02 0.00 0.00 54.97 54.58 2gji s GLU 72 Cb -0.69 -0.97 -0.01 0.00 0.10 0.00 0.00 34.13 32.57 2gji s GLU 72 CO 0.46 0.16 -0.22 0.42 0.02 0.00 0.00 175.26 176.10 2gji s ILE 73 N -2.89 2.30 0.13 -1.63 1.01 -1.26 -1.90 121.20 116.95 2gji s ILE 73 Ca 0.18 -0.96 0.07 0.00 0.00 0.00 0.00 60.65 59.95 2gji s ILE 73 Cb -0.01 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 2gji s ILE 73 CO 0.05 0.56 -0.16 -1.10 0.00 0.00 0.00 174.94 174.28 2gji s GLN 74 N 0.05 1.10 -0.43 2.79 -0.21 0.05 -4.95 119.66 118.05 2gji s GLN 74 Ca -0.09 -1.25 -0.28 0.00 0.02 0.00 0.00 55.36 53.76 2gji s GLN 74 Cb -0.15 -1.11 -0.01 0.00 1.00 0.00 0.00 33.01 32.74 2gji s GLN 74 CO 0.06 0.23 1.75 -1.25 -2.12 0.00 0.00 175.29 173.95 2gji s PRO 75 N -2.49 3.16 -0.23 2.91 0.04 -1.26 -0.55 135.00 136.57 2gji s PRO 75 Ca 0.09 1.09 -0.29 0.00 0.04 0.00 0.00 61.00 61.93 2gji s PRO 75 Cb -0.06 -4.23 -0.02 0.00 0.04 0.00 0.00 34.50 30.23 2gji s PRO 75 CO 0.04 -2.08 1.45 1.41 0.04 0.00 0.00 177.00 177.86 2gji s MET 76 N 5.96 3.93 -0.08 4.56 1.75 -1.25 -4.84 119.30 129.35 2gji s MET 76 Ca 0.73 1.54 -0.20 0.00 -1.25 0.00 0.00 55.69 56.51 2gji s MET 76 Cb -0.18 -3.93 -0.04 0.00 2.84 0.00 0.00 34.83 33.52 2gji s MET 76 CO 0.29 -1.11 0.56 0.42 -0.65 0.00 0.00 175.02 174.54 2gji s ILE 77 N 4.55 5.09 0.16 10.11 1.01 -1.26 -4.85 121.20 136.01 2gji s ILE 77 Ca 0.63 1.15 -0.30 0.00 0.00 0.00 0.00 60.65 62.13 2gji s ILE 77 Cb -0.22 -3.90 -0.08 0.00 0.01 0.00 0.00 42.46 38.27 2gji s ILE 77 CO 0.25 0.33 1.29 0.54 0.00 0.00 0.00 174.94 177.35 2gji s VAL 78 N 0.44 3.40 -0.14 2.92 0.11 -1.26 -4.96 120.40 120.92 2gji s VAL 78 Ca 0.30 1.11 -0.29 0.00 -2.93 0.00 0.00 61.98 60.17 2gji s VAL 78 Cb -0.17 -3.71 -0.04 0.00 -1.53 0.00 0.00 36.38 30.94 2gji s VAL 78 CO 0.14 0.14 1.56 -2.16 -3.33 0.00 0.00 175.10 171.45 2gji s PRO 79 N 0.22 4.05 -1.12 1.54 0.04 -1.26 -4.94 135.00 133.54 2gji s PRO 79 Ca 0.57 1.88 -0.05 0.00 0.04 0.00 0.00 61.00 63.45 2gji s PRO 79 Cb -0.35 -3.96 0.28 0.00 0.04 0.00 0.00 34.50 30.52 2gji s PRO 79 CO 0.35 -0.98 1.57 2.41 0.04 0.00 0.00 177.00 180.39 2gji n THR 80 N 5.79 5.19 -2.84 1.26 -1.04 -1.26 -4.90 114.28 116.48 2gji n THR 80 Ca 0.17 -5.67 -0.43 0.00 -2.04 0.00 0.00 64.05 56.08 2gji n THR 80 Cb 0.44 -2.11 0.01 0.00 -1.82 0.00 0.00 70.33 66.84 2gji n THR 80 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2gji n THR 81 N 1.64 5.02 0.02 12.58 -2.24 -1.26 -5.35 114.28 124.69 2gji n THR 81 Ca 0.29 -5.47 0.00 0.00 -2.27 0.00 0.00 64.05 56.60 2gji n THR 81 Cb 0.33 -2.18 0.01 0.00 -2.10 0.00 0.00 70.33 66.39 2gji n THR 81 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66