#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 4.28 -0.84 -5.12 0.00 -1.26 -5.09 120.51 112.48 2gji n ALA 2 Ca 0.00 -4.76 -0.33 0.00 0.00 0.00 0.00 53.44 48.36 2gji n ALA 2 Cb 0.00 -0.85 0.13 0.00 0.00 0.00 0.00 19.45 18.73 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 0.49 0.37 -3.68 0.00 -2.24 -1.26 -4.09 114.28 103.86 2gji n THR 3 Ca 0.30 -0.16 -0.14 0.00 -2.27 0.00 0.00 64.05 61.78 2gji n THR 3 Cb 0.40 -0.79 -0.14 0.00 -2.10 0.00 0.00 70.33 67.70 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 -2.39 -0.33 -0.03 4.78 2.19 -1.17 -4.81 117.98 116.22 2gji s PHE 4 Ca 0.62 0.81 0.03 0.00 0.33 0.00 0.00 56.93 58.72 2gji s PHE 4 Cb -0.24 -0.07 0.00 0.00 -1.31 0.00 0.00 43.02 41.40 2gji s PHE 4 CO 0.62 -0.29 -0.10 -1.14 1.83 0.00 0.00 175.22 176.14 2gji s GLN 5 N 2.05 1.07 -0.03 10.12 -0.44 -1.26 -0.10 119.66 131.07 2gji s GLN 5 Ca -0.01 -0.33 -0.01 0.00 -2.50 0.00 0.00 55.36 52.51 2gji s GLN 5 Cb -0.12 -0.98 0.03 0.00 -1.64 0.00 0.00 33.01 30.30 2gji s GLN 5 CO -0.08 0.11 0.03 -0.08 0.50 0.00 0.00 175.29 175.77 2gji s THR 6 N 0.25 0.01 -0.47 -0.34 -1.32 -0.93 -5.01 115.64 107.83 2gji s THR 6 Ca -0.04 0.24 -0.00 0.00 -1.21 0.00 0.00 61.69 60.67 2gji s THR 6 Cb -0.10 -0.18 0.38 0.00 -1.51 0.00 0.00 72.50 71.10 2gji s THR 6 CO 0.01 0.14 1.95 -0.90 -2.21 0.00 0.00 174.62 173.61 2gji n ASP 7 N 4.56 6.29 -3.69 8.08 5.75 -1.26 -1.92 116.55 134.37 2gji n ASP 7 Ca -0.19 -3.39 -0.04 0.00 -0.01 0.00 0.00 54.79 51.16 2gji n ASP 7 Cb 0.50 -0.96 -0.01 0.00 -1.03 0.00 0.00 41.12 39.62 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 -2.79 -1.78 0.95 2.12 0.00 -1.26 -4.95 121.76 114.05 2gji s ALA 8 Ca 0.48 0.41 -0.13 0.00 0.00 0.00 0.00 51.96 52.71 2gji s ALA 8 Cb 0.38 0.54 0.04 0.00 0.00 0.00 0.00 23.12 24.08 2gji s ALA 8 CO 0.01 -0.97 0.43 -0.25 0.00 0.00 0.00 175.76 174.98 2gji n ASP 9 N -0.42 -2.01 -3.70 0.00 8.00 -1.26 -4.83 116.55 112.33 2gji n ASP 9 Ca -0.07 0.32 -0.11 0.00 0.71 0.00 0.00 54.79 55.64 2gji n ASP 9 Cb 0.61 -1.21 -0.06 0.00 -0.02 0.00 0.00 41.12 40.44 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 -2.40 -0.15 0.05 1.24 -0.12 -0.86 -2.85 117.98 112.88 2gji s PHE 10 Ca 0.57 -0.05 0.01 0.00 -0.05 0.00 0.00 56.93 57.41 2gji s PHE 10 Cb -0.21 0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 42.30 2gji s PHE 10 CO 0.67 -0.59 0.14 -0.51 -0.05 0.00 0.00 175.22 174.89 2gji s LEU 11 N -2.36 4.10 -0.04 -1.99 1.43 -0.21 -0.08 118.68 119.53 2gji s LEU 11 Ca -0.01 0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.32 2gji s LEU 11 Cb 0.01 -2.64 -0.01 0.00 0.03 0.00 0.00 46.19 43.58 2gji s LEU 11 CO -0.07 0.20 -0.24 -0.76 0.23 0.00 0.00 176.35 175.72 2gji s LEU 12 N -2.26 2.04 -0.11 1.79 1.02 0.62 -0.55 118.68 121.23 2gji s LEU 12 Ca 0.30 -0.46 0.02 0.00 0.02 0.00 0.00 54.13 54.01 2gji s LEU 12 Cb -0.13 -1.27 0.01 0.00 0.02 0.00 0.00 46.19 44.83 2gji s LEU 12 CO 0.22 0.26 -0.17 -0.69 0.02 0.00 0.00 176.35 175.99 2gji s VAL 13 N -0.31 1.62 0.00 -1.59 1.01 -0.54 -1.90 120.40 118.70 2gji s VAL 13 Ca 0.02 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.28 2gji s VAL 13 Cb -0.12 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.80 2gji s VAL 13 CO 0.02 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.19 2gji n GLY 14 N 4.12 3.28 1.58 4.51 0.00 -1.22 -1.83 105.19 115.63 2gji n GLY 14 Ca -0.19 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 4.70 -3.27 1.61 -0.08 -1.26 -4.81 116.55 113.45 2gji n ASP 15 Ca 0.00 -2.52 -0.14 0.00 -1.51 0.00 0.00 54.79 50.61 2gji n ASP 15 Cb 0.00 -0.59 0.01 0.00 2.34 0.00 0.00 41.12 42.88 2gji n ASP 15 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2gji n ASP 16 N 0.93 -6.74 -4.64 1.67 2.03 -1.26 -5.00 116.55 103.54 2gji n ASP 16 Ca 0.24 -0.17 -0.30 0.00 0.52 0.00 0.00 54.79 55.09 2gji n ASP 16 Cb 0.91 -3.85 -0.09 0.00 -0.72 0.00 0.00 41.12 37.38 2gji n ASP 16 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2gji s THR 17 N -2.67 3.73 -0.25 5.18 -4.23 -1.26 -5.00 115.64 111.15 2gji s THR 17 Ca 0.12 -1.13 0.26 0.00 -1.18 0.00 0.00 61.69 59.76 2gji s THR 17 Cb -0.02 -2.77 0.28 0.00 1.34 0.00 0.00 72.50 71.32 2gji s THR 17 CO 0.81 0.11 1.79 -1.28 -0.54 0.00 0.00 174.62 175.50 2gji h SER 18 N 3.47 0.00 1.45 3.99 0.87 -2.04 -1.89 113.55 119.41 2gji h SER 18 Ca -0.48 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.05 2gji h SER 18 Cb 1.17 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2gji h SER 18 CO 0.56 0.00 -0.14 0.03 -0.53 0.00 0.00 176.83 176.76 2gji h ARG 19 N 0.00 0.00 -0.71 2.24 3.08 -1.98 -3.18 114.38 113.82 2gji h ARG 19 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 2gji h ARG 19 Cb 0.28 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 2gji h ARG 19 CO 0.00 0.14 0.47 1.88 -1.07 0.00 0.00 179.97 181.39 2gji h TYR 20 N 0.00 0.88 -0.07 3.04 -1.99 -1.76 0.21 116.97 117.29 2gji h TYR 20 Ca -0.00 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.72 2gji h TYR 20 Cb 0.90 -0.30 -0.00 0.00 2.00 0.00 0.00 36.73 39.33 2gji h TYR 20 CO 0.00 0.55 -0.08 0.93 -0.00 0.00 0.00 178.16 179.56 2gji h GLU 21 N 0.94 0.19 -0.18 4.88 5.08 -1.73 -1.28 114.58 122.48 2gji h GLU 21 Ca 0.27 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2gji h GLU 21 Cb -0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2gji h GLU 21 CO -0.06 0.63 0.06 1.49 -1.00 0.00 0.00 179.01 180.13 2gji h GLU 22 N -0.25 0.28 -0.60 2.33 4.81 -1.58 0.21 114.58 119.79 2gji h GLU 22 Ca 0.01 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2gji h GLU 22 Cb 0.60 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 2gji h GLU 22 CO 0.02 0.38 0.29 0.28 -0.73 0.00 0.00 179.01 179.25 2gji h VAL 23 N 0.13 1.19 -0.04 0.32 2.07 -0.65 -1.34 116.25 117.94 2gji h VAL 23 Ca 0.06 -0.54 -0.23 0.00 0.82 0.00 0.00 66.70 66.81 2gji h VAL 23 Cb 0.22 0.43 0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2gji h VAL 23 CO -0.00 0.23 -0.91 0.24 0.02 0.00 0.00 177.57 177.15 2gji h MET 24 N 0.84 0.54 0.00 1.57 2.86 -1.00 -3.05 114.93 116.68 2gji h MET 24 Ca 0.21 -0.53 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 2gji h MET 24 Cb 0.08 0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2gji h MET 24 CO -0.03 1.16 0.00 1.63 1.06 0.00 0.00 176.91 180.73 2gji n LYS 25 N -3.82 0.14 0.06 1.72 4.01 0.73 -3.11 118.16 117.90 2gji n LYS 25 Ca -0.07 0.31 0.21 0.00 -0.51 0.00 0.00 58.31 58.25 2gji n LYS 25 Cb 0.81 -1.74 0.74 0.00 -0.51 0.00 0.00 35.03 34.33 2gji n LYS 25 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2gji h THR 26 N 0.00 0.41 -3.30 -0.18 1.03 -1.14 -3.38 112.91 106.35 2gji h THR 26 Ca 0.00 0.00 -0.64 0.00 -0.01 0.00 0.00 66.41 65.76 2gji h THR 26 Cb 0.40 0.64 -0.21 0.00 -1.07 0.00 0.00 68.15 67.91 2gji h THR 26 CO 0.00 0.00 -0.66 -0.36 -0.01 0.00 0.00 175.52 174.49 2gji s PHE 27 N -4.68 3.03 0.57 0.00 0.40 -1.18 -4.98 117.98 111.15 2gji s PHE 27 Ca -0.04 -0.29 0.28 0.00 -0.60 0.00 0.00 56.93 56.28 2gji s PHE 27 Cb 0.16 -1.96 1.51 0.00 0.51 0.00 0.00 43.02 43.24 2gji s PHE 27 CO 0.58 -0.03 1.98 -0.44 0.70 0.00 0.00 175.22 178.01 2gji h ASP 28 N 6.71 0.00 -0.93 1.36 3.32 -1.89 -0.69 116.42 124.29 2gji h ASP 28 Ca -0.31 0.00 0.21 0.00 0.02 0.00 0.00 57.03 56.94 2gji h ASP 28 Cb 1.19 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.67 2gji h ASP 28 CO 0.63 0.00 0.61 0.74 -1.72 0.00 0.00 179.24 179.50 2gji h THR 29 N 0.00 0.67 -3.25 0.35 2.02 -1.92 -3.38 112.91 107.40 2gji h THR 29 Ca 0.19 -0.15 -0.58 0.00 0.77 0.00 0.00 66.41 66.64 2gji h THR 29 Cb 0.95 0.19 -0.07 0.00 -1.74 0.00 0.00 68.15 67.48 2gji h THR 29 CO -0.00 0.08 0.79 -0.69 0.37 0.00 0.00 175.52 176.07 2gji s VAL 30 N -5.47 4.59 -0.13 3.16 1.01 -0.27 -0.12 120.40 123.18 2gji s VAL 30 Ca -0.08 1.79 -0.21 0.00 0.00 0.00 0.00 61.98 63.47 2gji s VAL 30 Cb 0.23 -4.36 -0.26 0.00 0.00 0.00 0.00 36.38 31.99 2gji s VAL 30 CO 0.79 -0.36 0.58 -0.08 0.00 0.00 0.00 175.10 176.03 2gji h GLU 31 N 7.89 0.14 -2.45 2.72 4.81 -0.70 -3.45 114.58 123.53 2gji h GLU 31 Ca -0.20 -0.24 0.11 0.00 -0.13 0.00 0.00 59.36 58.90 2gji h GLU 31 Cb 1.06 0.09 -0.12 0.00 0.63 0.00 0.00 28.75 30.42 2gji h GLU 31 CO 1.00 1.12 0.43 0.00 -0.73 0.00 0.00 179.01 180.83 2gji s ALA 32 N -2.38 -1.69 0.03 2.92 0.00 -0.87 -5.02 121.76 114.74 2gji s ALA 32 Ca -0.21 0.54 0.04 0.00 0.00 0.00 0.00 51.96 52.33 2gji s ALA 32 Cb 0.02 0.59 -0.02 0.00 0.00 0.00 0.00 23.12 23.72 2gji s ALA 32 CO 0.72 -0.85 -0.12 0.08 0.00 0.00 0.00 175.76 175.60 2gji s VAL 33 N -3.32 0.90 -0.01 0.00 1.01 -1.26 -0.43 120.40 117.29 2gji s VAL 33 Ca 0.07 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 2gji s VAL 33 Cb -0.01 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.56 2gji s VAL 33 CO -0.05 -0.00 0.02 -0.13 0.00 0.00 0.00 175.10 174.94 2gji s ARG 34 N -0.94 -0.02 1.10 2.72 1.81 -0.83 -4.99 118.95 117.81 2gji s ARG 34 Ca 0.00 0.10 -0.13 0.00 -1.72 0.00 0.00 55.73 53.98 2gji s ARG 34 Cb -0.07 -0.12 0.24 0.00 -0.45 0.00 0.00 34.95 34.56 2gji s ARG 34 CO 0.01 -0.08 1.06 -1.59 -0.68 0.00 0.00 175.30 174.01 2gji s LYS 35 N 0.52 -0.37 -0.26 3.54 0.00 -1.26 -0.84 119.74 121.06 2gji s LYS 35 Ca -0.04 0.62 -0.05 0.00 0.00 0.00 0.00 55.97 56.50 2gji s LYS 35 Cb -0.06 -1.63 0.01 0.00 0.00 0.00 0.00 37.83 36.14 2gji s LYS 35 CO -0.01 -3.30 0.02 0.45 0.00 0.00 0.00 175.35 172.50 2gji s SER 36 N -3.01 4.73 0.58 0.03 0.15 0.04 -4.71 113.70 111.50 2gji s SER 36 Ca 0.67 -0.63 0.28 0.00 0.70 0.00 0.00 55.95 56.97 2gji s SER 36 Cb -0.22 -1.80 1.67 0.00 -1.71 0.00 0.00 66.02 63.96 2gji s SER 36 CO 0.61 -0.12 2.15 -0.78 1.20 0.00 0.00 173.24 176.30 2gji h ASP 37 N 8.15 0.00 0.01 5.45 3.58 -1.95 -2.26 116.42 129.40 2gji h ASP 37 Ca -0.35 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.10 2gji h ASP 37 Cb 1.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2gji h ASP 37 CO 0.59 0.00 -0.01 -0.07 -2.88 0.00 0.00 179.24 176.88 2gji h LEU 38 N 0.00 -0.02 -7.90 2.28 -0.00 -1.96 -3.44 115.31 104.27 2gji h LEU 38 Ca 0.06 -0.60 -0.50 0.00 -0.00 0.00 0.00 57.88 56.84 2gji h LEU 38 Cb 0.30 0.00 -0.34 0.00 -0.00 0.00 0.00 40.66 40.63 2gji h LEU 38 CO -0.00 0.60 -0.81 -1.81 -0.00 0.00 0.00 178.44 176.42 2gji s ASP 39 N -5.80 1.67 0.54 -0.43 1.01 -0.85 -5.01 116.67 107.81 2gji s ASP 39 Ca -0.16 -0.27 0.31 0.00 0.71 0.00 0.00 52.55 53.14 2gji s ASP 39 Cb 0.00 -0.76 1.47 0.00 1.01 0.00 0.00 42.92 44.65 2gji s ASP 39 CO 0.66 -0.00 2.04 0.44 0.21 0.00 0.00 175.17 178.52 2gji h ASP 40 N 7.17 0.00 -0.77 0.27 3.32 -1.87 -2.39 116.42 122.15 2gji h ASP 40 Ca -0.32 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.34 2gji h ASP 40 Cb 1.17 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.49 2gji h ASP 40 CO 0.46 0.09 0.49 -2.11 -1.72 0.00 0.00 179.24 176.45 2gji n ARG 41 N -3.34 2.11 -4.24 3.56 1.85 -1.26 -4.70 116.66 110.64 2gji n ARG 41 Ca -0.01 -2.39 -0.20 0.00 -1.00 0.00 0.00 57.85 54.26 2gji n ARG 41 Cb 0.27 -1.94 -0.16 0.00 -1.05 0.00 0.00 32.46 29.58 2gji n ARG 41 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2gji s VAL 42 N -2.60 0.60 -0.03 8.89 1.01 -0.90 -3.39 120.40 123.99 2gji s VAL 42 Ca 0.45 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.23 2gji s VAL 42 Cb 0.38 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 36.19 2gji s VAL 42 CO 0.09 0.22 -0.01 -0.31 0.00 0.00 0.00 175.10 175.10 2gji s TYR 43 N 0.64 0.37 -0.29 5.22 1.51 -0.80 -0.78 117.35 123.22 2gji s TYR 43 Ca -0.09 -0.03 -0.15 0.00 -1.01 0.00 0.00 57.07 55.79 2gji s TYR 43 Cb -0.12 -0.43 -0.03 0.00 -0.11 0.00 0.00 41.96 41.27 2gji s TYR 43 CO 0.01 -0.13 0.36 0.00 -1.11 0.00 0.00 175.55 174.68 2gji s MET 44 N 0.93 3.91 -0.38 -0.62 0.23 -0.02 -0.28 119.30 123.07 2gji s MET 44 Ca -0.10 -0.08 -0.17 0.00 -1.03 0.00 0.00 55.69 54.31 2gji s MET 44 Cb -0.13 -3.69 0.00 0.00 -1.53 0.00 0.00 34.83 29.48 2gji s MET 44 CO -0.01 -0.33 0.44 0.08 -2.03 0.00 0.00 175.02 173.17 2gji s VAL 45 N 2.05 5.08 -0.42 5.16 1.01 0.89 -1.96 120.40 132.22 2gji s VAL 45 Ca 0.14 -0.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.91 2gji s VAL 45 Cb -0.16 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.28 2gji s VAL 45 CO 0.10 -0.27 0.67 0.00 0.00 0.00 0.00 175.10 175.61 2gji s LEU 47 N 2.87 3.64 0.26 0.00 1.43 -1.26 -0.11 118.68 125.52 2gji s LEU 47 Ca 0.24 1.45 -0.30 0.00 -1.03 0.00 0.00 54.13 54.50 2gji s LEU 47 Cb -0.14 -4.38 -0.10 0.00 0.03 0.00 0.00 46.19 41.60 2gji s LEU 47 CO 0.19 -0.56 1.38 -0.54 0.23 0.00 0.00 176.35 177.04 2gji s LYS 48 N -4.10 4.31 -0.24 1.70 1.02 0.83 -4.64 119.74 118.62 2gji s LYS 48 Ca 0.57 2.23 -0.29 0.00 0.02 0.00 0.00 55.97 58.50 2gji s LYS 48 Cb -0.10 -3.12 -0.06 0.00 -0.52 0.00 0.00 37.83 34.04 2gji s LYS 48 CO 0.33 -0.32 2.23 1.04 -0.92 0.00 0.00 175.35 177.71 2gji n GLN 49 N 1.96 1.85 0.00 1.68 3.00 -1.26 -1.00 117.38 123.61 2gji n GLN 49 Ca 0.05 0.49 0.00 0.00 -0.01 0.00 0.00 57.00 57.53 2gji n GLN 49 Cb 0.41 -3.19 0.00 0.00 0.00 0.00 0.00 30.24 27.46 2gji n GLN 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2gji n GLY 50 N 5.86 0.97 3.73 1.08 0.00 -1.26 -5.11 105.19 110.46 2gji n GLY 50 Ca 0.31 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.68 4.65 -0.09 1.61 0.01 -0.17 -5.13 113.70 112.90 2gji s SER 51 Ca 0.00 -0.81 -0.03 0.00 1.31 0.00 0.00 55.95 56.42 2gji s SER 51 Cb 0.00 -0.69 0.04 0.00 0.21 0.00 0.00 66.02 65.58 2gji s SER 51 CO 0.00 -0.34 0.08 -0.89 0.41 0.00 0.00 173.24 172.51 2gji s THR 52 N -2.45 -0.13 -0.69 1.44 2.01 -1.26 -4.58 115.64 109.98 2gji s THR 52 Ca 0.38 0.24 -0.27 0.00 0.31 0.00 0.00 61.69 62.35 2gji s THR 52 Cb -0.02 -0.30 0.03 0.00 0.01 0.00 0.00 72.50 72.22 2gji s THR 52 CO 0.23 0.04 1.30 0.12 -0.69 0.00 0.00 174.62 175.61 2gji s PHE 53 N 2.18 2.31 -0.03 4.92 2.19 -0.81 -4.91 117.98 123.83 2gji s PHE 53 Ca 0.04 0.12 -0.01 0.00 0.33 0.00 0.00 56.93 57.41 2gji s PHE 53 Cb -0.13 -4.57 -0.04 0.00 -1.31 0.00 0.00 43.02 36.98 2gji s PHE 53 CO -0.05 -1.99 0.04 0.08 1.83 0.00 0.00 175.22 175.13 2gji s VAL 54 N 5.77 4.47 -0.32 3.12 1.01 -1.26 -2.20 120.40 130.98 2gji s VAL 54 Ca 0.39 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.00 2gji s VAL 54 Cb -0.08 -2.97 0.08 0.00 0.00 0.00 0.00 36.38 33.41 2gji s VAL 54 CO 0.18 0.45 0.01 -0.76 0.00 0.00 0.00 175.10 174.98 2gji s LEU 55 N -1.40 4.31 0.55 3.92 1.02 0.86 -4.96 118.68 122.98 2gji s LEU 55 Ca 0.19 -1.79 0.25 0.00 0.02 0.00 0.00 54.13 52.79 2gji s LEU 55 Cb -0.12 -1.64 1.46 0.00 0.02 0.00 0.00 46.19 45.91 2gji s LEU 55 CO 0.09 -0.33 2.04 0.78 0.02 0.00 0.00 176.35 178.96 2gji h ASN 56 N 7.76 0.00 -0.00 2.29 2.35 -1.99 -1.52 115.58 124.47 2gji h ASN 56 Ca -0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 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 0.52 0.00 -0.22 0.61 -1.65 0.00 0.00 177.43 176.70 2gji n GLY 57 N -1.55 -0.09 6.65 2.83 0.00 -1.26 -4.74 105.19 107.03 2gji n GLY 57 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.93 0.17 -0.02 0.00 -0.58 -3.67 105.19 101.07 2gji n GLY 58 Ca 0.03 -1.24 0.06 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.39 -0.61 1.08 -1.91 -3.16 117.51 113.09 2gji h ILE 59 Ca 0.00 -1.71 -0.01 0.00 -0.39 0.00 0.00 64.86 62.75 2gji h ILE 59 Cb 0.00 2.21 -0.02 0.00 -3.07 0.00 0.00 36.82 35.94 2gji h ILE 59 CO 0.00 0.31 0.22 -0.33 -0.69 0.00 0.00 178.15 177.66 2gji h GLU 60 N 0.00 0.54 -0.08 2.37 5.08 -1.88 0.77 114.58 121.38 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 1.18 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2gji h GLU 60 CO 0.04 0.43 -0.61 1.05 -1.00 0.00 0.00 179.01 178.93 2gji h GLU 61 N 0.50 0.27 -0.38 2.33 -0.00 -1.63 -3.06 114.58 112.62 2gji h GLU 61 Ca 0.14 -0.19 -0.11 0.00 -0.00 0.00 0.00 59.36 59.20 2gji h GLU 61 Cb 0.04 0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 28.81 2gji h GLU 61 CO -0.02 0.79 -0.21 1.25 -0.00 0.00 0.00 179.01 180.82 2gji h LEU 62 N 0.20 0.84 -0.89 3.06 6.46 -1.44 -2.67 115.31 120.86 2gji h LEU 62 Ca -0.01 -0.41 0.03 0.00 -0.12 0.00 0.00 57.88 57.37 2gji h LEU 62 Cb 1.12 -0.23 -0.05 0.00 -0.73 0.00 0.00 40.66 40.76 2gji h LEU 62 CO 0.10 1.07 0.58 0.03 -0.62 0.00 0.00 178.44 179.59 2gji h ARG 63 N 0.61 1.11 -0.64 1.25 3.08 -0.83 -2.18 114.38 116.78 2gji h ARG 63 Ca 0.08 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 2gji h ARG 63 Cb 0.76 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 2gji h ARG 63 CO 0.06 0.73 0.10 -0.07 -1.07 0.00 0.00 179.97 179.73 2gji h LEU 64 N 1.14 1.00 0.00 3.04 3.38 -1.45 0.21 115.31 122.64 2gji h LEU 64 Ca 0.35 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2gji h LEU 64 Cb -0.04 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.45 2gji h LEU 64 CO -0.10 1.00 0.00 0.18 0.09 0.00 0.00 178.44 179.60 2gji n LEU 65 N -4.22 0.00 0.13 1.67 4.77 -0.83 -2.31 117.00 116.21 2gji n LEU 65 Ca 0.04 0.79 0.18 0.00 -0.03 0.00 0.00 56.01 56.99 2gji n LEU 65 Cb 0.28 -0.29 0.76 0.00 -2.33 0.00 0.00 43.42 41.85 2gji n LEU 65 CO 0.43 -0.29 1.16 0.00 -1.33 0.00 0.00 177.39 177.36 2gji h THR 66 N 0.00 0.56 -0.01 -5.08 1.03 -1.61 -3.45 112.91 104.35 2gji h THR 66 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2gji h THR 66 Cb 0.00 0.78 0.00 0.00 -1.07 0.00 0.00 68.15 67.86 2gji h THR 66 CO 0.00 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.12 2gji n GLY 67 N -1.50 1.45 2.74 2.99 0.00 -0.45 -5.07 105.19 105.36 2gji n GLY 67 Ca 0.05 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.33 0.93 0.29 1.61 2.15 0.62 -4.99 116.67 114.95 2gji s ASP 68 Ca 0.00 0.01 0.16 0.00 0.43 0.00 0.00 52.55 53.15 2gji s ASP 68 Cb 0.00 -0.22 0.09 0.00 -0.30 0.00 0.00 42.92 42.48 2gji s ASP 68 CO 0.00 -0.18 1.44 0.28 -0.17 0.00 0.00 175.17 176.54 2gji h SER 69 N 7.97 0.00 1.00 -0.34 0.02 -1.98 -3.18 113.55 117.04 2gji h SER 69 Ca -0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 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 0.45 0.00 0.74 -1.14 0.00 0.00 176.83 177.18 2gji h THR 70 N 0.00 0.00 -1.83 -2.27 2.02 -1.94 -3.44 112.91 105.45 2gji h THR 70 Ca -0.01 -0.45 -0.62 0.00 0.77 0.00 0.00 66.41 66.10 2gji h THR 70 Cb 1.35 1.36 0.01 0.00 -1.74 0.00 0.00 68.15 69.13 2gji h THR 70 CO 0.06 0.00 1.26 -0.11 0.37 0.00 0.00 175.52 177.10 2gji n LEU 71 N -2.79 3.16 -4.17 2.58 0.00 -1.20 -4.56 117.00 110.02 2gji n LEU 71 Ca 0.01 0.69 -0.15 0.00 0.00 0.00 0.00 56.01 56.57 2gji n LEU 71 Cb 0.30 -1.39 -0.11 0.00 0.00 0.00 0.00 43.42 42.22 2gji n LEU 71 CO 0.25 -0.32 -0.42 -1.61 0.00 0.00 0.00 177.39 175.30 2gji s GLU 72 N 5.05 0.82 -0.09 1.96 2.02 -0.76 -4.78 118.70 122.92 2gji s GLU 72 Ca 0.98 -1.12 0.04 0.00 0.02 0.00 0.00 54.97 54.90 2gji s GLU 72 Cb -0.64 -0.54 -0.00 0.00 0.10 0.00 0.00 34.13 33.04 2gji s GLU 72 CO 0.47 0.09 -0.24 0.42 0.02 0.00 0.00 175.26 176.02 2gji s ILE 73 N -2.28 2.12 0.20 -1.63 1.01 -1.26 -1.46 121.20 117.90 2gji s ILE 73 Ca 0.04 -1.01 0.11 0.00 0.00 0.00 0.00 60.65 59.79 2gji s ILE 73 Cb -0.04 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 2gji s ILE 73 CO 0.00 0.56 -0.22 -1.10 0.00 0.00 0.00 174.94 174.18 2gji s GLN 74 N 0.19 1.58 -0.19 2.79 -0.21 0.29 -4.95 119.66 119.15 2gji s GLN 74 Ca -0.14 -1.53 -0.29 0.00 0.02 0.00 0.00 55.36 53.42 2gji s GLN 74 Cb -0.17 -1.86 -0.03 0.00 1.00 0.00 0.00 33.01 31.95 2gji s GLN 74 CO 0.07 0.40 1.59 -1.25 -2.12 0.00 0.00 175.29 173.97 2gji s PRO 75 N -2.77 3.90 0.34 2.91 0.04 -1.26 -1.05 135.00 137.11 2gji s PRO 75 Ca 0.22 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 62.72 2gji s PRO 75 Cb -0.08 -4.00 -0.11 0.00 0.04 0.00 0.00 34.50 30.36 2gji s PRO 75 CO 0.11 -1.17 1.42 1.41 0.04 0.00 0.00 177.00 178.81 2gji s MET 76 N 4.46 4.22 -0.10 4.56 1.75 -1.13 -4.82 119.30 128.25 2gji s MET 76 Ca 0.70 2.41 0.03 0.00 -1.25 0.00 0.00 55.69 57.58 2gji s MET 76 Cb -0.26 -3.03 -0.01 0.00 2.84 0.00 0.00 34.83 34.37 2gji s MET 76 CO 0.28 -0.40 -0.21 0.42 -0.65 0.00 0.00 175.02 174.46 2gji s ILE 77 N -0.88 2.36 0.07 10.11 -1.09 -1.26 -4.93 121.20 125.58 2gji s ILE 77 Ca 0.53 -0.92 -0.29 0.00 -2.23 0.00 0.00 60.65 57.73 2gji s ILE 77 Cb -0.44 -1.92 -0.05 0.00 -1.58 0.00 0.00 42.46 38.48 2gji s ILE 77 CO 0.55 0.55 0.94 0.54 -1.23 0.00 0.00 174.94 176.30 2gji s VAL 78 N 0.18 4.64 0.47 2.92 0.11 -1.26 -5.03 120.40 122.43 2gji s VAL 78 Ca -0.12 2.01 -0.22 0.00 -2.93 0.00 0.00 61.98 60.71 2gji s VAL 78 Cb -0.16 -4.30 -0.07 0.00 -1.53 0.00 0.00 36.38 30.32 2gji s VAL 78 CO 0.07 0.28 1.16 -2.16 -3.33 0.00 0.00 175.10 171.11 2gji s PRO 79 N 0.29 3.70 -0.10 1.54 0.04 -1.26 -5.06 135.00 134.16 2gji s PRO 79 Ca 0.47 1.75 -0.05 0.00 0.04 0.00 0.00 61.00 63.22 2gji s PRO 79 Cb -0.22 -2.35 0.05 0.00 0.04 0.00 0.00 34.50 32.01 2gji s PRO 79 CO 0.28 -0.59 0.23 -0.08 0.04 0.00 0.00 177.00 176.89 2gji s THR 80 N -1.57 -0.04 0.31 1.26 -1.32 -1.26 -5.16 115.64 107.85 2gji s THR 80 Ca 0.65 0.15 0.08 0.00 -1.21 0.00 0.00 61.69 61.36 2gji s THR 80 Cb -0.28 -0.37 -0.06 0.00 -1.51 0.00 0.00 72.50 70.28 2gji s THR 80 CO 0.34 0.06 -0.08 0.28 -2.21 0.00 0.00 174.62 173.01 2gji s THR 81 N 1.23 1.94 0.00 5.08 -1.32 -1.26 -5.34 115.64 115.97 2gji s THR 81 Ca -0.09 -2.17 0.00 0.00 -1.21 0.00 0.00 61.69 58.22 2gji s THR 81 Cb -0.10 -2.54 0.00 0.00 -1.51 0.00 0.00 72.50 68.34 2gji s THR 81 CO -0.08 -0.25 0.00 -0.62 -2.21 0.00 0.00 174.62 171.46