#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 5.38 -1.51 3.04 0.00 -1.26 -5.05 120.51 121.11 2gji n ALA 2 Ca 0.00 -4.68 -0.33 0.00 0.00 0.00 0.00 53.44 48.43 2gji n ALA 2 Cb 0.00 -1.70 0.05 0.00 0.00 0.00 0.00 19.45 17.79 2gji n ALA 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2gji s THR 3 N -3.96 3.38 -0.08 0.00 -4.23 -1.26 -4.27 115.64 105.21 2gji s THR 3 Ca 0.40 0.61 -0.00 0.00 -1.18 0.00 0.00 61.69 61.52 2gji s THR 3 Cb 0.19 -3.14 0.03 0.00 1.34 0.00 0.00 72.50 70.92 2gji s THR 3 CO -0.08 -0.43 -0.04 0.12 -0.54 0.00 0.00 174.62 173.65 2gji s PHE 4 N -2.46 0.99 -0.03 3.99 2.19 -1.12 -4.90 117.98 116.64 2gji s PHE 4 Ca 0.65 -0.38 0.04 0.00 0.33 0.00 0.00 56.93 57.57 2gji s PHE 4 Cb -0.19 -0.94 -0.00 0.00 -1.31 0.00 0.00 43.02 40.58 2gji s PHE 4 CO 0.43 -0.37 -0.15 -1.14 1.83 0.00 0.00 175.22 175.83 2gji s GLN 5 N 1.66 1.41 -0.05 10.12 -0.44 -1.26 -0.10 119.66 131.00 2gji s GLN 5 Ca 0.02 -0.52 -0.02 0.00 -2.50 0.00 0.00 55.36 52.34 2gji s GLN 5 Cb -0.13 -1.28 0.03 0.00 -1.64 0.00 0.00 33.01 29.99 2gji s GLN 5 CO -0.05 0.24 0.11 -0.08 0.50 0.00 0.00 175.29 176.02 2gji s THR 6 N -0.05 -0.05 -0.56 -0.34 -1.32 -0.54 -5.00 115.64 107.77 2gji s THR 6 Ca -0.00 0.17 0.01 0.00 -1.21 0.00 0.00 61.69 60.65 2gji s THR 6 Cb -0.09 -0.19 0.50 0.00 -1.51 0.00 0.00 72.50 71.21 2gji s THR 6 CO 0.01 0.07 1.90 -0.90 -2.21 0.00 0.00 174.62 173.48 2gji n ASP 7 N 4.05 6.28 -3.63 8.08 5.75 -1.26 -1.34 116.55 134.48 2gji n ASP 7 Ca -0.25 -3.75 -0.07 0.00 -0.01 0.00 0.00 54.79 50.71 2gji n ASP 7 Cb 0.52 -0.87 -0.02 0.00 -1.03 0.00 0.00 41.12 39.73 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 -3.66 -1.65 0.78 2.12 0.00 -1.26 -4.99 121.76 113.10 2gji s ALA 8 Ca 0.61 0.43 -0.15 0.00 0.00 0.00 0.00 51.96 52.84 2gji s ALA 8 Cb 0.49 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 24.23 2gji s ALA 8 CO 0.02 -0.88 0.62 -0.25 0.00 0.00 0.00 175.76 175.27 2gji n ASP 9 N -0.38 -0.97 -3.80 0.00 8.00 -1.26 -4.81 116.55 113.33 2gji n ASP 9 Ca -0.08 0.55 -0.09 0.00 0.71 0.00 0.00 54.79 55.87 2gji n ASP 9 Cb 0.62 -1.26 -0.06 0.00 -0.02 0.00 0.00 41.12 40.39 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 -2.02 0.07 -0.09 1.24 -0.12 -0.89 -3.44 117.98 112.73 2gji s PHE 10 Ca 0.65 -0.46 -0.05 0.00 -0.05 0.00 0.00 56.93 57.02 2gji s PHE 10 Cb -0.31 0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.08 2gji s PHE 10 CO 0.58 -0.61 0.10 -0.51 -0.05 0.00 0.00 175.22 174.73 2gji s LEU 11 N -2.86 4.12 -0.06 -1.99 1.43 0.83 -0.13 118.68 120.03 2gji s LEU 11 Ca 0.06 0.34 0.06 0.00 -1.03 0.00 0.00 54.13 53.56 2gji s LEU 11 Cb 0.04 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 2gji s LEU 11 CO -0.10 0.38 -0.23 -0.22 0.23 0.00 0.00 176.35 176.41 2gji s LEU 12 N -1.09 2.20 -0.11 1.79 2.96 0.78 -0.28 118.68 124.92 2gji s LEU 12 Ca 0.16 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 2gji s LEU 12 Cb -0.12 -1.41 0.02 0.00 0.50 0.00 0.00 46.19 45.18 2gji s LEU 12 CO 0.05 0.26 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.52 2gji s VAL 13 N -0.25 1.35 0.00 1.68 1.01 -0.71 -1.17 120.40 122.31 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 -0.13 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.99 2gji s VAL 13 CO 0.03 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.15 2gji n GLY 14 N 4.32 4.20 0.32 4.51 0.00 -1.17 -1.39 105.19 115.99 2gji n GLY 14 Ca -0.18 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.44 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 1.89 -3.39 1.61 9.92 -1.26 -4.88 116.55 120.44 2gji n ASP 15 Ca 0.00 -3.17 -0.17 0.00 -0.53 0.00 0.00 54.79 50.92 2gji n ASP 15 Cb 0.00 -0.43 0.08 0.00 -0.64 0.00 0.00 41.12 40.13 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 -1.13 -3.34 -4.76 -2.24 9.92 -1.26 -4.96 116.55 108.79 2gji n ASP 16 Ca 0.15 -0.65 -0.40 0.00 -0.53 0.00 0.00 54.79 53.36 2gji n ASP 16 Cb 0.68 -5.12 -0.05 0.00 -0.64 0.00 0.00 41.12 35.99 2gji n ASP 16 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2gji s THR 17 N -3.38 3.72 -0.10 -3.53 -4.23 -1.26 -4.92 115.64 101.94 2gji s THR 17 Ca 0.13 1.73 0.29 0.00 -1.18 0.00 0.00 61.69 62.66 2gji s THR 17 Cb -0.02 -4.09 0.32 0.00 1.34 0.00 0.00 72.50 70.05 2gji s THR 17 CO 0.74 0.40 1.88 0.28 -0.54 0.00 0.00 174.62 177.38 2gji h SER 18 N 3.91 0.00 -0.42 3.99 0.02 -2.01 -1.76 113.55 117.28 2gji h SER 18 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2gji h SER 18 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2gji h SER 18 CO 0.67 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.90 2gji n ARG 19 N -2.64 2.67 -0.13 3.45 1.74 -1.26 -4.27 116.66 116.21 2gji n ARG 19 Ca 0.01 -1.79 0.03 0.00 -0.77 0.00 0.00 57.85 55.32 2gji n ARG 19 Cb 0.21 -1.63 0.33 0.00 -1.02 0.00 0.00 32.46 30.35 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 2.60 0.75 -0.21 -1.55 -0.00 -1.71 0.98 116.97 117.84 2gji h TYR 20 Ca 0.00 0.02 -0.13 0.00 -0.00 0.00 0.00 58.73 58.62 2gji h TYR 20 Cb 0.97 -0.25 0.00 0.00 -0.00 0.00 0.00 36.73 37.45 2gji h TYR 20 CO 0.47 0.46 -0.36 1.05 -0.00 0.00 0.00 178.16 179.79 2gji h GLU 21 N 0.80 0.61 -0.30 0.10 4.11 -1.84 -2.60 114.58 115.47 2gji h GLU 21 Ca 0.23 -0.38 -0.05 0.00 0.07 0.00 0.00 59.36 59.24 2gji h GLU 21 Cb -0.04 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2gji h GLU 21 CO -0.06 0.99 -0.00 1.49 0.07 0.00 0.00 179.01 181.50 2gji h GLU 22 N 0.29 0.53 -0.63 1.06 4.57 -1.73 0.15 114.58 118.82 2gji h GLU 22 Ca 0.01 -0.17 0.05 0.00 -1.18 0.00 0.00 59.36 58.07 2gji h GLU 22 Cb 0.95 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.45 2gji h GLU 22 CO 0.08 0.68 0.35 0.28 -1.18 0.00 0.00 179.01 179.22 2gji h VAL 23 N 0.32 0.99 -0.10 0.32 2.07 -0.86 -2.18 116.25 116.81 2gji h VAL 23 Ca 0.08 -0.23 -0.21 0.00 0.82 0.00 0.00 66.70 67.17 2gji h VAL 23 Cb 0.44 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2gji h VAL 23 CO 0.02 0.12 -0.78 0.24 0.02 0.00 0.00 177.57 177.19 2gji h MET 24 N 0.67 0.58 -0.34 1.57 2.86 -1.38 -3.11 114.93 115.79 2gji h MET 24 Ca 0.27 -0.49 0.10 0.00 -2.06 0.00 0.00 59.70 57.52 2gji h MET 24 Cb 0.14 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 2gji h MET 24 CO -0.16 1.12 0.25 0.87 1.06 0.00 0.00 176.91 180.05 2gji h LYS 25 N 0.39 0.00 -0.15 1.72 6.56 -0.18 -0.09 116.57 124.82 2gji h LYS 25 Ca -0.05 0.00 0.04 0.00 -1.06 0.00 0.00 60.65 59.58 2gji h LYS 25 Cb 1.39 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 33.04 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 0.25 -3.75 -0.16 1.35 -1.33 -3.38 112.91 105.88 2gji h THR 26 Ca 0.16 0.00 -0.64 0.00 -0.55 0.00 0.00 66.41 65.38 2gji h THR 26 Cb 0.66 0.77 -0.16 0.00 -1.73 0.00 0.00 68.15 67.70 2gji h THR 26 CO -0.00 0.00 -0.31 -0.36 -0.25 0.00 0.00 175.52 174.60 2gji s PHE 27 N -4.41 3.23 -0.26 4.73 0.40 -0.05 -4.94 117.98 116.69 2gji s PHE 27 Ca -0.04 0.27 0.24 0.00 -0.60 0.00 0.00 56.93 56.80 2gji s PHE 27 Cb 0.13 -2.55 1.16 0.00 0.51 0.00 0.00 43.02 42.27 2gji s PHE 27 CO 0.45 -0.25 1.72 -0.44 0.70 0.00 0.00 175.22 177.40 2gji h ASP 28 N 8.27 0.00 0.92 1.36 3.32 -1.85 -1.67 116.42 126.77 2gji h ASP 28 Ca -0.32 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.64 2gji h ASP 28 Cb 1.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 2gji h ASP 28 CO 0.63 0.00 -0.42 0.74 -1.72 0.00 0.00 179.24 178.48 2gji h THR 29 N 0.00 0.92 -3.90 0.35 2.02 -1.91 -3.45 112.91 106.94 2gji h THR 29 Ca 0.00 -1.68 -0.51 0.00 0.77 0.00 0.00 66.41 64.99 2gji h THR 29 Cb 0.17 2.02 0.05 0.00 -1.74 0.00 0.00 68.15 68.65 2gji h THR 29 CO 0.00 0.41 0.54 0.54 0.37 0.00 0.00 175.52 177.37 2gji s VAL 30 N -3.50 3.10 0.00 3.16 0.11 -0.63 -0.09 120.40 122.55 2gji s VAL 30 Ca 0.01 1.01 0.00 0.00 -2.93 0.00 0.00 61.98 60.06 2gji s VAL 30 Cb 0.11 -3.60 0.00 0.00 -1.53 0.00 0.00 36.38 31.35 2gji s VAL 30 CO 0.70 0.17 0.00 1.21 -3.33 0.00 0.00 175.10 173.85 2gji n GLU 31 N 0.50 0.23 -3.51 1.54 2.13 0.86 -4.55 120.64 117.83 2gji n GLU 31 Ca 0.02 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.70 2gji n GLU 31 Cb 0.45 -0.99 -0.04 0.00 0.27 0.00 0.00 31.44 31.12 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 -1.98 -1.79 0.09 4.31 0.00 -0.75 -5.01 121.76 116.64 2gji s ALA 32 Ca 0.00 1.18 0.09 0.00 0.00 0.00 0.00 51.96 53.23 2gji s ALA 32 Cb 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 2gji s ALA 32 CO 0.00 -0.48 -0.24 0.08 0.00 0.00 0.00 175.76 175.12 2gji s VAL 33 N -1.95 2.00 -0.06 0.00 1.01 -1.26 -0.37 120.40 119.77 2gji s VAL 33 Ca -0.04 -1.55 -0.04 0.00 0.00 0.00 0.00 61.98 60.35 2gji s VAL 33 Cb -0.00 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.64 2gji s VAL 33 CO 0.01 0.12 0.14 -0.13 0.00 0.00 0.00 175.10 175.23 2gji s ARG 34 N -1.74 0.13 0.66 2.72 1.81 -0.70 -4.99 118.95 116.84 2gji s ARG 34 Ca 0.10 0.28 -0.11 0.00 -1.72 0.00 0.00 55.73 54.28 2gji s ARG 34 Cb -0.10 -0.04 -0.01 0.00 -0.45 0.00 0.00 34.95 34.35 2gji s ARG 34 CO 0.04 -0.09 1.05 -1.59 -0.68 0.00 0.00 175.30 174.04 2gji s LYS 35 N 0.57 3.18 -0.34 3.54 0.00 -1.26 -0.36 119.74 125.07 2gji s LYS 35 Ca -0.04 0.92 -0.14 0.00 0.00 0.00 0.00 55.97 56.71 2gji s LYS 35 Cb -0.06 -2.02 -0.01 0.00 0.00 0.00 0.00 37.83 35.74 2gji s LYS 35 CO -0.03 -0.91 0.29 0.45 0.00 0.00 0.00 175.35 175.15 2gji s SER 36 N -3.81 6.11 0.44 0.03 0.15 -0.47 -4.81 113.70 111.35 2gji s SER 36 Ca 0.58 -0.37 0.17 0.00 0.70 0.00 0.00 55.95 57.02 2gji s SER 36 Cb -0.13 -2.16 1.09 0.00 -1.71 0.00 0.00 66.02 63.11 2gji s SER 36 CO 0.53 -0.28 1.94 0.44 1.20 0.00 0.00 173.24 177.07 2gji h ASP 37 N 8.49 0.33 0.11 5.45 5.19 -1.96 -2.25 116.42 131.78 2gji h ASP 37 Ca -0.31 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.12 2gji h ASP 37 Cb 1.15 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.61 2gji h ASP 37 CO 0.66 0.18 -0.05 -0.07 -3.12 0.00 0.00 179.24 176.84 2gji h LEU 38 N 0.36 -0.12 -7.44 1.55 -0.00 -1.97 -3.43 115.31 104.26 2gji h LEU 38 Ca 0.34 -0.43 -0.53 0.00 -0.00 0.00 0.00 57.88 57.25 2gji h LEU 38 Cb 0.81 0.03 -0.39 0.00 -0.00 0.00 0.00 40.66 41.11 2gji h LEU 38 CO -0.09 0.42 -0.78 -1.81 -0.00 0.00 0.00 178.44 176.19 2gji s ASP 39 N -5.57 2.90 0.65 -0.43 1.01 -0.86 -4.99 116.67 109.39 2gji s ASP 39 Ca -0.14 -0.76 0.42 0.00 0.71 0.00 0.00 52.55 52.78 2gji s ASP 39 Cb 0.01 -0.76 2.29 0.00 1.01 0.00 0.00 42.92 45.48 2gji s ASP 39 CO 0.57 -0.25 2.34 0.44 0.21 0.00 0.00 175.17 178.48 2gji h ASP 40 N 8.17 0.00 0.42 0.27 5.19 -1.82 0.92 116.42 129.57 2gji h ASP 40 Ca -0.19 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 2gji h ASP 40 Cb 1.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.62 2gji h ASP 40 CO 0.36 0.00 0.00 0.54 -3.12 0.00 0.00 179.24 177.02 2gji n ARG 41 N -3.21 0.41 -4.72 3.56 1.74 -1.26 -4.72 116.66 108.47 2gji n ARG 41 Ca -0.03 0.04 -0.33 0.00 -0.77 0.00 0.00 57.85 56.76 2gji n ARG 41 Cb 0.08 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 29.90 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 -2.51 3.38 -0.03 1.55 1.01 0.32 -3.02 120.40 121.10 2gji s VAL 42 Ca 0.26 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.66 2gji s VAL 42 Cb 0.17 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 34.19 2gji s VAL 42 CO 0.38 0.57 -0.03 -0.31 0.00 0.00 0.00 175.10 175.71 2gji s TYR 43 N -0.38 0.53 -0.28 5.22 1.51 -0.32 -1.37 117.35 122.26 2gji s TYR 43 Ca 0.05 -0.10 -0.18 0.00 -1.01 0.00 0.00 57.07 55.82 2gji s TYR 43 Cb -0.12 -0.51 -0.02 0.00 -0.11 0.00 0.00 41.96 41.19 2gji s TYR 43 CO 0.02 -0.14 0.54 0.00 -1.11 0.00 0.00 175.55 174.86 2gji s MET 44 N 0.86 3.97 -0.38 -0.62 0.23 0.52 -0.16 119.30 123.72 2gji s MET 44 Ca -0.10 0.26 -0.15 0.00 -1.03 0.00 0.00 55.69 54.66 2gji s MET 44 Cb -0.13 -3.69 0.01 0.00 -1.53 0.00 0.00 34.83 29.49 2gji s MET 44 CO -0.01 -0.44 0.35 0.08 -2.03 0.00 0.00 175.02 172.97 2gji s VAL 45 N 2.39 5.19 -0.43 5.16 1.01 0.82 -1.72 120.40 132.82 2gji s VAL 45 Ca 0.22 -0.30 -0.21 0.00 0.00 0.00 0.00 61.98 61.69 2gji s VAL 45 Cb -0.15 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.35 2gji s VAL 45 CO 0.10 -0.24 0.67 0.00 0.00 0.00 0.00 175.10 175.64 2gji s LEU 47 N 2.91 2.64 1.18 0.00 1.43 -1.26 -0.10 118.68 125.47 2gji s LEU 47 Ca 0.25 1.51 -0.20 0.00 -1.03 0.00 0.00 54.13 54.66 2gji s LEU 47 Cb -0.14 -4.11 0.28 0.00 0.03 0.00 0.00 46.19 42.26 2gji s LEU 47 CO 0.19 -2.14 1.17 -0.54 0.23 0.00 0.00 176.35 175.26 2gji s LYS 48 N -5.02 -1.03 -0.35 1.70 1.02 0.88 -4.55 119.74 112.39 2gji s LYS 48 Ca 0.61 -0.26 -0.18 0.00 0.02 0.00 0.00 55.97 56.17 2gji s LYS 48 Cb -0.16 -1.64 -0.00 0.00 -0.52 0.00 0.00 37.83 35.51 2gji s LYS 48 CO 0.56 -3.55 0.52 -0.65 -0.92 0.00 0.00 175.35 171.30 2gji s GLN 49 N -5.61 3.63 0.00 1.68 -0.21 -1.26 -3.91 119.66 113.98 2gji s GLN 49 Ca 0.73 -0.15 0.00 0.00 0.02 0.00 0.00 55.36 55.96 2gji s GLN 49 Cb -0.07 -3.81 0.00 0.00 1.00 0.00 0.00 33.01 30.14 2gji s GLN 49 CO 0.55 -0.64 0.00 0.41 -2.12 0.00 0.00 175.29 173.49 2gji n GLY 50 N 4.79 0.88 3.72 3.09 0.00 -1.26 -5.08 105.19 111.32 2gji n GLY 50 Ca -0.05 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.05 4.55 -0.03 1.61 0.01 -1.25 -5.14 113.70 111.39 2gji s SER 51 Ca 0.00 -0.89 -0.01 0.00 1.31 0.00 0.00 55.95 56.36 2gji s SER 51 Cb 0.00 -0.62 0.03 0.00 0.21 0.00 0.00 66.02 65.64 2gji s SER 51 CO 0.00 -0.37 0.05 -0.89 0.41 0.00 0.00 173.24 172.44 2gji s THR 52 N -2.49 -0.06 -0.80 1.44 2.01 -1.26 -4.78 115.64 109.70 2gji s THR 52 Ca 0.39 0.33 -0.23 0.00 0.31 0.00 0.00 61.69 62.49 2gji s THR 52 Cb -0.00 -0.15 0.07 0.00 0.01 0.00 0.00 72.50 72.42 2gji s THR 52 CO 0.22 0.15 1.17 0.12 -0.69 0.00 0.00 174.62 175.59 2gji s PHE 53 N 1.76 2.62 -0.03 4.92 2.19 -0.45 -4.86 117.98 124.13 2gji s PHE 53 Ca -0.00 -0.62 -0.00 0.00 0.33 0.00 0.00 56.93 56.63 2gji s PHE 53 Cb -0.12 -4.46 -0.04 0.00 -1.31 0.00 0.00 43.02 37.09 2gji s PHE 53 CO -0.03 -1.79 0.04 0.08 1.83 0.00 0.00 175.22 175.35 2gji s VAL 54 N 4.43 4.46 -0.30 3.12 1.01 -1.26 -1.47 120.40 130.39 2gji s VAL 54 Ca 0.32 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.92 2gji s VAL 54 Cb -0.09 -2.98 0.08 0.00 0.00 0.00 0.00 36.38 33.39 2gji s VAL 54 CO 0.04 0.43 -0.01 -0.76 0.00 0.00 0.00 175.10 174.80 2gji s LEU 55 N -1.44 3.93 0.58 3.92 1.02 0.86 -4.96 118.68 122.59 2gji s LEU 55 Ca 0.19 -1.77 0.32 0.00 0.02 0.00 0.00 54.13 52.89 2gji s LEU 55 Cb -0.12 -1.50 1.79 0.00 0.02 0.00 0.00 46.19 46.38 2gji s LEU 55 CO 0.09 -0.31 2.20 0.78 0.02 0.00 0.00 176.35 179.13 2gji h ASN 56 N 7.73 0.00 -0.00 2.29 2.35 -1.98 -2.43 115.58 123.54 2gji h ASN 56 Ca -0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2gji h ASN 56 Cb 1.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.40 2gji h ASN 56 CO 0.49 0.04 -0.36 0.61 -1.65 0.00 0.00 177.43 176.56 2gji n GLY 57 N -0.94 0.15 6.31 2.83 0.00 -1.26 -4.77 105.19 107.52 2gji n GLY 57 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 1.14 -0.36 0.18 -0.02 0.00 -0.93 -3.80 105.19 101.40 2gji n GLY 58 Ca 0.02 -1.18 0.06 0.00 0.00 0.00 0.00 46.02 44.92 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 0.57 -0.40 -0.61 1.08 -1.92 -3.17 117.51 113.06 2gji h ILE 59 Ca 0.00 -1.70 -0.01 0.00 -0.39 0.00 0.00 64.86 62.76 2gji h ILE 59 Cb 0.00 2.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.93 2gji h ILE 59 CO 0.00 0.31 0.23 -0.33 -0.69 0.00 0.00 178.15 177.67 2gji h GLU 60 N 0.00 0.55 -0.08 2.37 3.07 -1.93 -0.83 114.58 117.73 2gji h GLU 60 Ca -0.00 -0.06 -0.15 0.00 -0.50 0.00 0.00 59.36 58.65 2gji h GLU 60 Cb 1.18 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.97 2gji h GLU 60 CO 0.04 0.43 -0.59 1.05 -1.40 0.00 0.00 179.01 178.54 2gji h GLU 61 N 0.51 0.26 -0.31 2.33 -0.00 -1.66 -3.06 114.58 112.66 2gji h GLU 61 Ca 0.14 -0.18 -0.09 0.00 -0.00 0.00 0.00 59.36 59.23 2gji h GLU 61 Cb 0.04 0.02 -0.02 0.00 -0.00 0.00 0.00 28.75 28.80 2gji h GLU 61 CO -0.02 0.78 -0.19 1.25 -0.00 0.00 0.00 179.01 180.82 2gji h LEU 62 N 0.20 0.57 -0.70 3.06 5.85 -1.45 -2.78 115.31 120.06 2gji h LEU 62 Ca -0.00 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 2gji h LEU 62 Cb 1.09 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 2gji h LEU 62 CO 0.09 0.77 0.19 0.03 -0.34 0.00 0.00 178.44 179.18 2gji h ARG 63 N 0.51 1.10 -0.31 1.25 3.08 -1.06 -2.66 114.38 116.30 2gji h ARG 63 Ca 0.08 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 2gji h ARG 63 Cb 0.62 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 2gji h ARG 63 CO 0.04 0.97 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.76 2gji h LEU 64 N 1.04 0.48 0.00 3.04 3.38 -1.47 0.23 115.31 122.01 2gji h LEU 64 Ca 0.22 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2gji h LEU 64 Cb 0.35 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2gji h LEU 64 CO -0.00 0.60 0.00 0.18 0.09 0.00 0.00 178.44 179.31 2gji n LEU 65 N -4.23 0.00 0.23 1.67 4.77 -1.01 -2.77 117.00 115.66 2gji n LEU 65 Ca 0.01 1.00 0.10 0.00 -0.03 0.00 0.00 56.01 57.08 2gji n LEU 65 Cb 0.29 -0.50 0.55 0.00 -2.33 0.00 0.00 43.42 41.44 2gji n LEU 65 CO 0.40 -0.50 0.85 0.00 -1.33 0.00 0.00 177.39 176.81 2gji h THR 66 N 0.00 0.69 0.00 -5.08 1.03 -1.60 -3.47 112.91 104.49 2gji h THR 66 Ca 0.00 -0.93 0.00 0.00 -0.01 0.00 0.00 66.41 65.47 2gji h THR 66 Cb 0.00 1.59 0.00 0.00 -1.07 0.00 0.00 68.15 68.67 2gji h THR 66 CO 0.00 0.21 0.00 0.61 -0.01 0.00 0.00 175.52 176.33 2gji n GLY 67 N -0.29 1.17 2.74 2.99 0.00 0.60 -5.07 105.19 107.32 2gji n GLY 67 Ca -0.01 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.47 2.31 0.49 1.61 2.15 -0.07 -4.98 116.67 115.71 2gji s ASP 68 Ca 0.00 -0.50 0.24 0.00 0.43 0.00 0.00 52.55 52.72 2gji s ASP 68 Cb 0.00 -0.50 1.28 0.00 -0.30 0.00 0.00 42.92 43.40 2gji s ASP 68 CO 0.00 -0.26 2.01 0.28 -0.17 0.00 0.00 175.17 177.03 2gji h SER 69 N 8.30 0.00 0.62 -0.34 0.02 -1.98 -1.85 113.55 118.32 2gji h SER 69 Ca -0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 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 0.16 0.00 0.74 -1.14 0.00 0.00 176.83 176.89 2gji h THR 70 N 0.00 0.00 -1.83 -2.27 2.02 -1.94 -3.44 112.91 105.46 2gji h THR 70 Ca -0.00 -0.25 -0.62 0.00 0.77 0.00 0.00 66.41 66.31 2gji h THR 70 Cb 0.41 1.06 0.01 0.00 -1.74 0.00 0.00 68.15 67.88 2gji h THR 70 CO 0.02 0.00 1.25 -0.11 0.37 0.00 0.00 175.52 177.05 2gji n LEU 71 N -2.60 3.16 -4.10 2.58 0.00 -0.70 -4.42 117.00 110.93 2gji n LEU 71 Ca 0.00 0.71 -0.15 0.00 0.00 0.00 0.00 56.01 56.57 2gji n LEU 71 Cb 0.20 -1.39 -0.12 0.00 0.00 0.00 0.00 43.42 42.12 2gji n LEU 71 CO 0.20 -0.30 -0.42 -1.61 0.00 0.00 0.00 177.39 175.26 2gji s GLU 72 N 4.98 0.63 -0.12 1.96 2.02 -0.49 -4.74 118.70 122.94 2gji s GLU 72 Ca 0.98 -0.83 -0.02 0.00 0.02 0.00 0.00 54.97 55.12 2gji s GLU 72 Cb -0.65 -0.47 -0.03 0.00 0.10 0.00 0.00 34.13 33.08 2gji s GLU 72 CO 0.48 0.09 -0.07 0.42 0.02 0.00 0.00 175.26 176.20 2gji s ILE 73 N -1.36 3.64 0.11 -1.63 1.01 -1.26 -1.74 121.20 119.97 2gji s ILE 73 Ca -0.07 -0.47 0.05 0.00 0.00 0.00 0.00 60.65 60.17 2gji s ILE 73 Cb -0.10 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 2gji s ILE 73 CO 0.01 0.53 -0.14 -1.10 0.00 0.00 0.00 174.94 174.24 2gji s GLN 74 N 0.01 0.95 -0.24 2.79 -0.21 0.61 -4.97 119.66 118.60 2gji s GLN 74 Ca -0.01 -1.16 -0.29 0.00 0.02 0.00 0.00 55.36 53.92 2gji s GLN 74 Cb -0.14 -0.85 -0.02 0.00 1.00 0.00 0.00 33.01 33.00 2gji s GLN 74 CO 0.03 0.17 1.63 -1.25 -2.12 0.00 0.00 175.29 173.74 2gji s PRO 75 N -2.45 3.74 0.16 2.91 0.04 -1.26 -0.12 135.00 138.02 2gji s PRO 75 Ca 0.06 1.61 -0.31 0.00 0.04 0.00 0.00 61.00 62.39 2gji s PRO 75 Cb -0.06 -4.05 -0.09 0.00 0.04 0.00 0.00 34.50 30.34 2gji s PRO 75 CO 0.02 -1.36 1.46 1.41 0.04 0.00 0.00 177.00 178.57 2gji s MET 76 N 4.79 4.28 -0.16 4.56 1.75 -1.22 -4.78 119.30 128.52 2gji s MET 76 Ca 0.72 2.22 0.01 0.00 -1.25 0.00 0.00 55.69 57.39 2gji s MET 76 Cb -0.24 -3.18 0.01 0.00 2.84 0.00 0.00 34.83 34.25 2gji s MET 76 CO 0.30 -0.48 -0.18 0.42 -0.65 0.00 0.00 175.02 174.42 2gji s ILE 77 N 0.84 2.35 -0.02 10.11 -1.09 -1.26 -4.91 121.20 127.22 2gji s ILE 77 Ca 0.65 -0.87 -0.22 0.00 -2.23 0.00 0.00 60.65 57.98 2gji s ILE 77 Cb -0.40 -1.98 -0.05 0.00 -1.58 0.00 0.00 42.46 38.45 2gji s ILE 77 CO 0.33 0.53 0.66 -0.69 -1.23 0.00 0.00 174.94 174.54 2gji s VAL 78 N 0.93 4.92 -0.93 2.92 1.01 -1.26 -4.97 120.40 123.03 2gji s VAL 78 Ca -0.04 1.38 -0.23 0.00 0.00 0.00 0.00 61.98 63.10 2gji s VAL 78 Cb -0.15 -4.00 -0.14 0.00 0.00 0.00 0.00 36.38 32.09 2gji s VAL 78 CO -0.03 0.35 1.92 -0.81 0.00 0.00 0.00 175.10 176.52 2gji n PRO 79 N 3.12 1.48 -3.18 2.72 -0.04 -1.26 -4.43 135.00 133.41 2gji n PRO 79 Ca -0.04 -2.09 -0.18 0.00 -0.04 0.00 0.00 63.50 61.15 2gji n PRO 79 Cb 0.51 -3.27 0.02 0.00 -0.04 0.00 0.00 33.50 30.72 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 6.85 -6.36 -2.72 0.52 -1.04 -1.26 -4.99 114.28 105.28 2gji n THR 80 Ca 0.47 0.61 -0.09 0.00 -2.04 0.00 0.00 64.05 63.01 2gji n THR 80 Cb 0.43 -4.80 0.09 0.00 -1.82 0.00 0.00 70.33 64.23 2gji n THR 80 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2gji n THR 81 N 0.23 0.00 0.00 12.58 -1.04 -1.26 -5.33 114.28 119.46 2gji n THR 81 Ca -0.01 -1.43 0.00 0.00 -2.04 0.00 0.00 64.05 60.57 2gji n THR 81 Cb 0.50 1.47 0.00 0.00 -1.82 0.00 0.00 70.33 70.48 2gji n THR 81 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64