#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 5.47 -3.62 3.04 0.00 -1.26 -4.90 120.51 119.23 2gji n ALA 2 Ca 0.00 -4.71 -0.06 0.00 0.00 0.00 0.00 53.44 48.67 2gji n ALA 2 Cb 0.00 -2.03 -0.06 0.00 0.00 0.00 0.00 19.45 17.36 2gji n ALA 2 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2gji s THR 3 N -3.62 0.00 -0.13 0.00 -1.32 -1.24 -3.37 115.64 105.96 2gji s THR 3 Ca 0.37 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.80 2gji s THR 3 Cb 0.14 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.20 2gji s THR 3 CO -0.03 0.00 0.25 0.12 -2.21 0.00 0.00 174.62 172.75 2gji s PHE 4 N -0.60 -0.40 -0.03 9.09 5.36 -1.04 -4.79 117.98 125.57 2gji s PHE 4 Ca 0.04 0.87 0.06 0.00 -0.96 0.00 0.00 56.93 56.95 2gji s PHE 4 Cb -0.02 -0.09 -0.01 0.00 -0.34 0.00 0.00 43.02 42.56 2gji s PHE 4 CO -0.06 -0.37 -0.22 -1.14 -1.46 0.00 0.00 175.22 171.96 2gji s GLN 5 N 2.40 1.93 -0.11 10.12 -0.44 -1.26 -0.05 119.66 132.25 2gji s GLN 5 Ca 0.02 -0.78 -0.05 0.00 -2.50 0.00 0.00 55.36 52.05 2gji s GLN 5 Cb -0.12 -1.78 0.05 0.00 -1.64 0.00 0.00 33.01 29.52 2gji s GLN 5 CO -0.09 0.41 0.24 -0.08 0.50 0.00 0.00 175.29 176.28 2gji s THR 6 N -0.35 -0.12 -0.50 -0.34 -1.32 -0.84 -5.01 115.64 107.16 2gji s THR 6 Ca 0.04 0.18 -0.01 0.00 -1.21 0.00 0.00 61.69 60.69 2gji s THR 6 Cb -0.10 -0.38 0.34 0.00 -1.51 0.00 0.00 72.50 70.85 2gji s THR 6 CO 0.01 0.07 2.02 -0.67 -2.21 0.00 0.00 174.62 173.84 2gji n ASP 7 N 4.48 7.04 -3.62 8.08 -0.08 -1.26 -2.29 116.55 128.89 2gji n ASP 7 Ca -0.21 -3.44 0.01 0.00 -1.51 0.00 0.00 54.79 49.64 2gji n ASP 7 Cb 0.52 -1.01 -0.01 0.00 2.34 0.00 0.00 41.12 42.96 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 -2.85 -2.20 1.03 -1.67 0.00 -1.26 -5.00 121.76 109.79 2gji s ALA 8 Ca 0.48 0.70 -0.16 0.00 0.00 0.00 0.00 51.96 52.99 2gji s ALA 8 Cb 0.38 0.35 0.06 0.00 0.00 0.00 0.00 23.12 23.91 2gji s ALA 8 CO -0.01 -1.04 0.18 -0.40 0.00 0.00 0.00 175.76 174.49 2gji n ASP 9 N -0.47 -2.33 -3.59 0.00 5.68 -1.26 -4.81 116.55 109.77 2gji n ASP 9 Ca -0.08 0.13 -0.11 0.00 -0.50 0.00 0.00 54.79 54.23 2gji n ASP 9 Cb 0.63 -1.08 -0.04 0.00 -1.14 0.00 0.00 41.12 39.49 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 -2.31 -0.30 0.15 2.11 -0.12 -0.86 -3.38 117.98 113.27 2gji s PHE 10 Ca 0.56 0.01 0.03 0.00 -0.05 0.00 0.00 56.93 57.48 2gji s PHE 10 Cb -0.17 0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 42.58 2gji s PHE 10 CO 0.67 -0.80 0.21 -0.51 -0.05 0.00 0.00 175.22 174.74 2gji s LEU 11 N -2.80 4.10 0.04 -1.99 1.43 0.86 -0.09 118.68 120.23 2gji s LEU 11 Ca 0.04 0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.23 2gji s LEU 11 Cb 0.00 -2.70 -0.02 0.00 0.03 0.00 0.00 46.19 43.51 2gji s LEU 11 CO -0.10 0.07 -0.11 -0.76 0.23 0.00 0.00 176.35 175.68 2gji s LEU 12 N -3.09 2.18 -0.10 1.79 1.02 0.93 -0.50 118.68 120.92 2gji s LEU 12 Ca 0.33 -0.45 0.01 0.00 0.02 0.00 0.00 54.13 54.04 2gji s LEU 12 Cb -0.11 -0.44 0.02 0.00 0.02 0.00 0.00 46.19 45.68 2gji s LEU 12 CO 0.26 -0.03 -0.11 -0.69 0.02 0.00 0.00 176.35 175.79 2gji s VAL 13 N -0.94 1.21 0.00 -1.59 1.01 -0.85 -1.99 120.40 117.25 2gji s VAL 13 Ca -0.02 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.50 2gji s VAL 13 Cb -0.08 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.16 2gji s VAL 13 CO 0.01 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.11 2gji n GLY 14 N 4.36 4.15 0.51 4.51 0.00 -1.26 -1.98 105.19 115.48 2gji n GLY 14 Ca -0.18 -0.37 0.07 0.00 0.00 0.00 0.00 46.02 45.53 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 1.72 -3.16 1.61 8.00 -1.26 -4.96 116.55 118.50 2gji n ASP 15 Ca 0.00 -3.29 -0.12 0.00 0.71 0.00 0.00 54.79 52.09 2gji n ASP 15 Cb 0.00 -0.45 0.01 0.00 -0.02 0.00 0.00 41.12 40.66 2gji n ASP 15 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2gji n ASP 16 N -0.97 -7.08 -4.69 -2.24 8.00 -1.26 -5.00 116.55 103.30 2gji n ASP 16 Ca 0.15 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.31 2gji n ASP 16 Cb 0.72 -4.26 -0.09 0.00 -0.02 0.00 0.00 41.12 37.47 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 -2.63 4.34 0.43 -3.53 -4.23 -1.26 -4.99 115.64 103.77 2gji s THR 17 Ca 0.15 -0.30 0.27 0.00 -1.18 0.00 0.00 61.69 60.64 2gji s THR 17 Cb -0.03 -2.85 0.30 0.00 1.34 0.00 0.00 72.50 71.26 2gji s THR 17 CO 0.80 0.56 2.09 0.28 -0.54 0.00 0.00 174.62 177.81 2gji h SER 18 N 4.98 0.00 0.88 3.99 0.02 -2.04 -0.82 113.55 120.56 2gji h SER 18 Ca -0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 2gji h SER 18 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2gji h SER 18 CO 0.55 0.10 0.00 0.54 -1.14 0.00 0.00 176.83 176.89 2gji n ARG 19 N -3.67 0.02 -0.21 3.45 1.74 -1.26 -3.54 116.66 113.19 2gji n ARG 19 Ca -0.02 0.10 -0.02 0.00 -0.77 0.00 0.00 57.85 57.14 2gji n ARG 19 Cb 0.22 -1.53 0.09 0.00 -1.02 0.00 0.00 32.46 30.21 2gji n ARG 19 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2gji h TYR 20 N 0.00 0.58 -0.40 -1.55 3.20 -1.55 0.22 116.97 117.47 2gji h TYR 20 Ca 0.00 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 2gji h TYR 20 Cb 0.44 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 2gji h TYR 20 CO 0.00 0.26 0.10 0.93 -1.64 0.00 0.00 178.16 177.81 2gji h GLU 21 N 0.59 0.63 -0.20 1.82 5.08 -1.76 -1.78 114.58 118.96 2gji h GLU 21 Ca 0.28 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2gji h GLU 21 Cb 0.21 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2gji h GLU 21 CO -0.20 0.66 0.08 1.49 -1.00 0.00 0.00 179.01 180.04 2gji h GLU 22 N 0.50 0.31 -0.75 2.33 4.81 -1.59 0.24 114.58 120.41 2gji h GLU 22 Ca 0.12 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.35 2gji h GLU 22 Cb 0.31 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 2gji h GLU 22 CO 0.00 0.38 0.46 0.28 -0.73 0.00 0.00 179.01 179.39 2gji h VAL 23 N 0.17 1.03 -0.09 0.32 2.07 -0.51 -1.68 116.25 117.56 2gji h VAL 23 Ca 0.07 -0.29 -0.19 0.00 0.82 0.00 0.00 66.70 67.11 2gji h VAL 23 Cb 0.19 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 2gji h VAL 23 CO -0.00 0.16 -0.73 0.24 0.02 0.00 0.00 177.57 177.25 2gji h MET 24 N 0.85 0.47 -0.36 1.57 2.86 -1.15 -3.13 114.93 116.04 2gji h MET 24 Ca 0.32 -0.38 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2gji h MET 24 Cb 0.13 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 2gji h MET 24 CO -0.16 1.01 0.22 0.87 1.06 0.00 0.00 176.91 179.92 2gji h LYS 25 N 0.32 0.49 -0.13 1.72 6.56 0.14 -1.23 116.57 124.43 2gji h LYS 25 Ca -0.03 -0.04 0.04 0.00 -1.06 0.00 0.00 60.65 59.56 2gji h LYS 25 Cb 1.31 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.86 2gji h LYS 25 CO 0.13 0.34 0.21 1.79 -2.06 0.00 0.00 179.45 179.86 2gji h THR 26 N 0.50 0.31 -3.56 -0.16 1.35 -1.27 -3.38 112.91 106.70 2gji h THR 26 Ca 0.13 0.00 -0.62 0.00 -0.55 0.00 0.00 66.41 65.37 2gji h THR 26 Cb -0.02 0.82 -0.12 0.00 -1.73 0.00 0.00 68.15 67.10 2gji h THR 26 CO -0.03 0.00 0.32 -0.36 -0.25 0.00 0.00 175.52 175.21 2gji s PHE 27 N -4.46 3.09 0.56 4.73 0.08 -0.47 -4.91 117.98 116.60 2gji s PHE 27 Ca -0.04 0.42 0.28 0.00 0.12 0.00 0.00 56.93 57.70 2gji s PHE 27 Cb 0.14 -3.41 1.47 0.00 -0.57 0.00 0.00 43.02 40.65 2gji s PHE 27 CO 0.48 -0.77 1.96 0.22 -0.10 0.00 0.00 175.22 177.00 2gji h ASP 28 N 8.59 0.00 0.24 1.36 3.58 -1.85 0.23 116.42 128.58 2gji h ASP 28 Ca -0.25 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.13 2gji h ASP 28 Cb 1.10 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 2gji h ASP 28 CO 0.91 0.00 -0.29 0.74 -2.88 0.00 0.00 179.24 177.72 2gji h THR 29 N 0.00 1.23 -2.92 2.25 2.02 -1.91 -3.43 112.91 110.16 2gji h THR 29 Ca 0.24 -1.09 -0.55 0.00 0.77 0.00 0.00 66.41 65.78 2gji h THR 29 Cb 1.11 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 2gji h THR 29 CO -0.00 0.32 0.85 -0.69 0.37 0.00 0.00 175.52 176.37 2gji s VAL 30 N -4.38 4.02 -0.23 3.16 1.01 0.81 -0.12 120.40 124.67 2gji s VAL 30 Ca -0.04 1.31 -0.05 0.00 0.00 0.00 0.00 61.98 63.20 2gji s VAL 30 Cb 0.15 -3.85 -0.18 0.00 0.00 0.00 0.00 36.38 32.50 2gji s VAL 30 CO 0.73 -0.05 -0.11 1.21 0.00 0.00 0.00 175.10 176.88 2gji n GLU 31 N 5.95 0.65 -3.81 2.72 2.13 0.85 -4.77 120.64 124.37 2gji n GLU 31 Ca 0.13 0.23 -0.06 0.00 0.66 0.00 0.00 57.16 58.13 2gji n GLU 31 Cb 0.45 -1.57 -0.02 0.00 0.27 0.00 0.00 31.44 30.57 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 -2.51 -1.40 0.08 4.31 0.00 -0.80 -5.01 121.76 116.43 2gji s ALA 32 Ca -0.33 -0.12 0.05 0.00 0.00 0.00 0.00 51.96 51.57 2gji s ALA 32 Cb 0.10 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.96 2gji s ALA 32 CO 0.61 -1.03 -0.14 0.08 0.00 0.00 0.00 175.76 175.27 2gji s VAL 33 N -3.67 1.15 -0.05 0.00 1.01 -1.26 -0.58 120.40 116.99 2gji s VAL 33 Ca 0.11 -1.35 -0.03 0.00 0.00 0.00 0.00 61.98 60.71 2gji s VAL 33 Cb -0.04 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.23 2gji s VAL 33 CO 0.05 -0.24 0.13 -0.13 0.00 0.00 0.00 175.10 174.91 2gji s ARG 34 N -1.83 0.11 0.20 2.72 1.81 -0.58 -4.99 118.95 116.40 2gji s ARG 34 Ca -0.01 0.25 -0.23 0.00 -1.72 0.00 0.00 55.73 54.03 2gji s ARG 34 Cb -0.10 -0.05 -0.08 0.00 -0.45 0.00 0.00 34.95 34.27 2gji s ARG 34 CO 0.02 -0.09 0.77 -1.59 -0.68 0.00 0.00 175.30 173.73 2gji s LYS 35 N 0.57 4.44 -0.40 3.54 0.00 -1.26 -0.27 119.74 126.36 2gji s LYS 35 Ca -0.04 1.05 -0.28 0.00 0.00 0.00 0.00 55.97 56.70 2gji s LYS 35 Cb -0.06 -3.07 0.02 0.00 0.00 0.00 0.00 37.83 34.73 2gji s LYS 35 CO -0.03 0.48 1.06 -1.12 0.00 0.00 0.00 175.35 175.74 2gji s SER 36 N -1.39 6.73 0.52 0.03 0.01 0.07 -4.90 113.70 114.78 2gji s SER 36 Ca 0.40 0.66 0.16 0.00 1.31 0.00 0.00 55.95 58.48 2gji s SER 36 Cb -0.20 -2.52 1.28 0.00 0.21 0.00 0.00 66.02 64.79 2gji s SER 36 CO 0.24 -1.04 2.15 0.44 0.41 0.00 0.00 173.24 175.44 2gji h ASP 37 N 8.69 0.00 -0.17 2.44 3.32 -1.95 -2.33 116.42 126.42 2gji h ASP 37 Ca -0.22 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.76 2gji h ASP 37 Cb 1.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 2gji h ASP 37 CO 1.06 0.00 -0.17 0.25 -1.72 0.00 0.00 179.24 178.66 2gji h LEU 38 N 0.00 0.45 -7.75 1.55 5.85 -1.96 -3.43 115.31 110.02 2gji h LEU 38 Ca -0.00 -0.48 -0.52 0.00 0.84 0.00 0.00 57.88 57.72 2gji h LEU 38 Cb 0.00 -0.13 -0.36 0.00 0.37 0.00 0.00 40.66 40.54 2gji h LEU 38 CO 0.00 0.84 -0.80 -1.81 -0.34 0.00 0.00 178.44 176.33 2gji s ASP 39 N -6.21 2.03 0.55 1.25 1.11 -0.88 -5.00 116.67 109.52 2gji s ASP 39 Ca -0.14 -0.29 0.32 0.00 0.18 0.00 0.00 52.55 52.63 2gji s ASP 39 Cb 0.06 -0.81 1.55 0.00 1.07 0.00 0.00 42.92 44.79 2gji s ASP 39 CO 0.77 -0.09 2.08 0.44 1.18 0.00 0.00 175.17 179.54 2gji h ASP 40 N 7.90 0.00 -0.78 0.27 5.19 -1.84 -2.41 116.42 124.76 2gji h ASP 40 Ca -0.30 0.00 -0.43 0.00 -0.62 0.00 0.00 57.03 55.68 2gji h ASP 40 Cb 1.14 0.00 -0.24 0.00 0.18 0.00 0.00 39.33 40.41 2gji h ASP 40 CO 0.42 0.07 0.55 0.54 -3.12 0.00 0.00 179.24 177.70 2gji n ARG 41 N -3.34 2.05 -3.79 3.56 5.12 -1.26 -4.79 116.66 114.21 2gji n ARG 41 Ca -0.01 -2.39 -0.14 0.00 -1.93 0.00 0.00 57.85 53.38 2gji n ARG 41 Cb 0.25 -1.94 -0.15 0.00 -1.16 0.00 0.00 32.46 29.47 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 -2.82 -0.04 -0.01 1.55 1.01 -0.91 -4.13 120.40 115.06 2gji s VAL 42 Ca 0.46 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.60 2gji s VAL 42 Cb 0.38 -0.13 -0.00 0.00 0.00 0.00 0.00 36.38 36.62 2gji s VAL 42 CO 0.07 0.06 -0.06 -0.31 0.00 0.00 0.00 175.10 174.85 2gji s TYR 43 N 0.82 0.56 -0.25 5.22 1.51 -0.84 -0.75 117.35 123.62 2gji s TYR 43 Ca -0.07 -0.11 -0.06 0.00 -1.01 0.00 0.00 57.07 55.83 2gji s TYR 43 Cb -0.09 -0.37 -0.01 0.00 -0.11 0.00 0.00 41.96 41.38 2gji s TYR 43 CO -0.03 -0.02 0.02 0.00 -1.11 0.00 0.00 175.55 174.41 2gji s MET 44 N -0.09 3.41 -0.17 -0.62 0.23 0.63 -0.05 119.30 122.64 2gji s MET 44 Ca 0.02 -0.62 -0.16 0.00 -1.03 0.00 0.00 55.69 53.89 2gji s MET 44 Cb -0.03 -3.19 -0.04 0.00 -1.53 0.00 0.00 34.83 30.04 2gji s MET 44 CO -0.00 -0.24 0.41 0.08 -2.03 0.00 0.00 175.02 173.24 2gji s VAL 45 N 1.53 5.20 -0.42 5.16 1.01 0.87 -1.53 120.40 132.22 2gji s VAL 45 Ca 0.05 0.77 -0.15 0.00 0.00 0.00 0.00 61.98 62.65 2gji s VAL 45 Cb -0.15 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.51 2gji s VAL 45 CO 0.00 0.28 0.34 0.00 0.00 0.00 0.00 175.10 175.72 2gji s LEU 47 N 1.76 3.30 0.18 0.00 1.43 -1.26 -0.10 118.68 123.99 2gji s LEU 47 Ca 0.06 1.66 -0.30 0.00 -1.03 0.00 0.00 54.13 54.52 2gji s LEU 47 Cb -0.19 -4.51 -0.08 0.00 0.03 0.00 0.00 46.19 41.44 2gji s LEU 47 CO 0.10 -1.24 1.22 -0.54 0.23 0.00 0.00 176.35 176.12 2gji s LYS 48 N -4.65 4.47 -0.20 1.70 1.02 0.83 -4.62 119.74 118.29 2gji s LYS 48 Ca 0.60 1.90 -0.29 0.00 0.02 0.00 0.00 55.97 58.19 2gji s LYS 48 Cb -0.14 -3.24 -0.06 0.00 -0.52 0.00 0.00 37.83 33.87 2gji s LYS 48 CO 0.47 -0.13 2.19 1.04 -0.92 0.00 0.00 175.35 178.00 2gji n GLN 49 N 2.63 1.96 0.00 1.68 6.02 -1.26 -1.04 117.38 127.37 2gji n GLN 49 Ca 0.05 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.61 2gji n GLN 49 Cb 0.44 -3.12 0.00 0.00 1.02 0.00 0.00 30.24 28.59 2gji n GLN 49 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2gji n GLY 50 N 5.69 0.90 3.78 1.08 0.00 -1.26 -5.11 105.19 110.27 2gji n GLY 50 Ca 0.30 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.66 4.64 -0.12 1.61 0.01 -0.21 -5.13 113.70 112.85 2gji s SER 51 Ca 0.00 -0.94 -0.04 0.00 1.31 0.00 0.00 55.95 56.29 2gji s SER 51 Cb 0.00 -0.54 0.05 0.00 0.21 0.00 0.00 66.02 65.74 2gji s SER 51 CO 0.00 -0.54 0.11 -0.89 0.41 0.00 0.00 173.24 172.33 2gji s THR 52 N -2.54 -0.15 -0.80 1.44 2.01 -1.26 -4.70 115.64 109.64 2gji s THR 52 Ca 0.43 0.13 -0.26 0.00 0.31 0.00 0.00 61.69 62.30 2gji s THR 52 Cb 0.01 -0.39 0.03 0.00 0.01 0.00 0.00 72.50 72.16 2gji s THR 52 CO 0.24 -0.05 1.35 0.12 -0.69 0.00 0.00 174.62 175.60 2gji s PHE 53 N 2.20 2.31 -0.03 4.92 2.19 -0.97 -4.94 117.98 123.66 2gji s PHE 53 Ca 0.04 -0.19 -0.00 0.00 0.33 0.00 0.00 56.93 57.10 2gji s PHE 53 Cb -0.14 -4.62 -0.04 0.00 -1.31 0.00 0.00 43.02 36.92 2gji s PHE 53 CO -0.07 -2.05 0.04 0.08 1.83 0.00 0.00 175.22 175.05 2gji s VAL 54 N 5.76 4.47 -0.31 3.12 1.01 -1.26 -1.99 120.40 131.19 2gji s VAL 54 Ca 0.39 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.99 2gji s VAL 54 Cb -0.06 -2.98 0.08 0.00 0.00 0.00 0.00 36.38 33.42 2gji s VAL 54 CO 0.09 0.43 -0.00 -0.76 0.00 0.00 0.00 175.10 174.86 2gji s LEU 55 N -1.45 4.25 0.22 3.92 1.43 0.92 -4.97 118.68 123.00 2gji s LEU 55 Ca 0.19 -1.81 -0.09 0.00 -1.03 0.00 0.00 54.13 51.38 2gji s LEU 55 Cb -0.12 -1.62 0.17 0.00 0.03 0.00 0.00 46.19 44.66 2gji s LEU 55 CO 0.09 -0.31 1.87 0.78 0.23 0.00 0.00 176.35 179.02 2gji h ASN 56 N 7.72 0.94 0.63 2.29 4.21 -1.87 -2.71 115.58 126.79 2gji h ASN 56 Ca -0.11 -0.05 -0.17 0.00 1.21 0.00 0.00 56.30 57.18 2gji h ASN 56 Cb 1.03 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 37.97 2gji h ASN 56 CO 0.51 0.71 -1.49 0.61 -1.29 0.00 0.00 177.43 176.48 2gji n GLY 57 N -1.26 -1.18 0.00 2.83 0.00 -1.26 -4.50 105.19 99.82 2gji n GLY 57 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 1.41 -0.50 0.18 -0.02 0.00 -1.12 -3.60 105.19 101.53 2gji n GLY 58 Ca -0.11 -1.90 0.06 0.00 0.00 0.00 0.00 46.02 44.07 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 0.58 -0.43 -0.61 1.08 -1.90 -3.22 117.51 113.00 2gji h ILE 59 Ca 0.00 -1.69 -0.01 0.00 -0.39 0.00 0.00 64.86 62.78 2gji h ILE 59 Cb 0.00 2.18 -0.02 0.00 -3.07 0.00 0.00 36.82 35.91 2gji h ILE 59 CO 0.00 0.31 0.24 -0.33 -0.69 0.00 0.00 178.15 177.68 2gji h GLU 60 N 0.00 0.59 -0.16 2.37 5.08 -1.94 -0.01 114.58 120.51 2gji h GLU 60 Ca -0.00 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 2gji h GLU 60 Cb 1.16 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2gji h GLU 60 CO 0.04 0.47 -0.39 1.05 -1.00 0.00 0.00 179.01 179.18 2gji h GLU 61 N 0.56 0.36 -0.30 2.33 4.11 -1.78 -2.72 114.58 117.14 2gji h GLU 61 Ca 0.15 -0.17 -0.14 0.00 0.07 0.00 0.00 59.36 59.27 2gji h GLU 61 Cb 0.04 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2gji h GLU 61 CO -0.02 0.70 -0.40 1.25 0.07 0.00 0.00 179.01 180.61 2gji h LEU 62 N 0.30 0.76 -0.64 3.06 5.85 -1.48 -2.74 115.31 120.42 2gji h LEU 62 Ca 0.03 -0.34 -0.09 0.00 0.84 0.00 0.00 57.88 58.32 2gji h LEU 62 Cb 0.83 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 2gji h LEU 62 CO 0.07 1.07 0.06 0.03 -0.34 0.00 0.00 178.44 179.32 2gji h ARG 63 N 0.59 1.10 -0.36 1.25 3.08 -0.86 -2.80 114.38 116.37 2gji h ARG 63 Ca 0.05 -0.32 -0.06 0.00 0.07 0.00 0.00 59.98 59.72 2gji h ARG 63 Cb 0.94 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 2gji h ARG 63 CO 0.09 1.03 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.91 2gji h LEU 64 N 1.01 0.55 0.07 3.04 3.38 -1.41 0.31 115.31 122.26 2gji h LEU 64 Ca 0.19 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2gji h LEU 64 Cb 0.50 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2gji h LEU 64 CO 0.02 0.65 -0.09 -0.07 0.09 0.00 0.00 178.44 179.04 2gji h LEU 65 N 0.55 -0.26 -1.20 1.67 3.38 -1.21 -2.84 115.31 115.40 2gji h LEU 65 Ca 0.11 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 2gji h LEU 65 Cb 0.41 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2gji h LEU 65 CO 0.02 -0.11 -0.22 0.00 0.09 0.00 0.00 178.44 178.22 2gji h THR 66 N -0.16 0.56 -0.73 0.22 1.03 -1.59 -3.47 112.91 108.77 2gji h THR 66 Ca -0.01 -1.06 0.00 0.00 -0.01 0.00 0.00 66.41 65.33 2gji h THR 66 Cb 0.15 1.72 0.00 0.00 -1.07 0.00 0.00 68.15 68.95 2gji h THR 66 CO -0.02 0.21 0.00 0.61 -0.01 0.00 0.00 175.52 176.31 2gji n GLY 67 N 0.06 0.81 2.99 2.99 0.00 0.78 -5.09 105.19 107.72 2gji n GLY 67 Ca -0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 0.30 0.45 1.61 2.15 0.59 -4.99 116.67 114.37 2gji s ASP 68 Ca 0.00 0.41 0.23 0.00 0.43 0.00 0.00 52.55 53.62 2gji s ASP 68 Cb 0.00 1.00 1.02 0.00 -0.30 0.00 0.00 42.92 44.64 2gji s ASP 68 CO 0.00 -0.28 1.89 0.28 -0.17 0.00 0.00 175.17 176.89 2gji h SER 69 N 8.22 0.00 0.41 -0.34 0.02 -1.98 -2.57 113.55 117.31 2gji h SER 69 Ca -0.17 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 2gji h SER 69 Cb 1.14 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 2gji h SER 69 CO 0.21 0.24 -0.10 0.71 -1.14 0.00 0.00 176.83 176.76 2gji h THR 70 N 0.00 0.45 -1.21 -2.27 1.35 -1.95 -3.43 112.91 105.85 2gji h THR 70 Ca -0.00 -0.49 -0.66 0.00 -0.55 0.00 0.00 66.41 64.71 2gji h THR 70 Cb 0.63 1.34 -0.02 0.00 -1.73 0.00 0.00 68.15 68.38 2gji h THR 70 CO 0.03 0.09 1.42 -0.11 -0.25 0.00 0.00 175.52 176.71 2gji n LEU 71 N -3.52 2.28 -4.43 3.87 0.00 -0.97 -4.65 117.00 109.59 2gji n LEU 71 Ca -0.02 0.39 -0.22 0.00 0.00 0.00 0.00 56.01 56.17 2gji n LEU 71 Cb 0.23 -1.30 -0.10 0.00 0.00 0.00 0.00 43.42 42.25 2gji n LEU 71 CO 0.29 -0.72 -0.44 -1.61 0.00 0.00 0.00 177.39 174.91 2gji s GLU 72 N 6.20 1.56 -0.05 1.96 2.02 -0.84 -4.77 118.70 124.78 2gji s GLU 72 Ca 1.08 -1.73 0.03 0.00 0.02 0.00 0.00 54.97 54.38 2gji s GLU 72 Cb -0.79 -1.45 0.00 0.00 0.10 0.00 0.00 34.13 31.99 2gji s GLU 72 CO 0.47 0.22 -0.15 0.42 0.02 0.00 0.00 175.26 176.24 2gji s ILE 73 N -2.75 1.33 0.12 -1.63 1.01 -1.26 -2.01 121.20 116.01 2gji s ILE 73 Ca 0.28 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 60.35 2gji s ILE 73 Cb -0.01 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 2gji s ILE 73 CO 0.12 0.39 -0.15 -1.10 0.00 0.00 0.00 174.94 174.20 2gji s GLN 74 N 0.28 1.03 -0.14 2.79 -0.21 0.35 -4.97 119.66 118.79 2gji s GLN 74 Ca -0.09 -1.21 -0.29 0.00 0.02 0.00 0.00 55.36 53.79 2gji s GLN 74 Cb -0.13 -0.99 -0.04 0.00 1.00 0.00 0.00 33.01 32.86 2gji s GLN 74 CO 0.03 0.20 1.55 -1.25 -2.12 0.00 0.00 175.29 173.70 2gji s PRO 75 N -2.49 4.06 -0.04 2.91 0.04 -1.26 -0.10 135.00 138.11 2gji s PRO 75 Ca 0.08 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.70 2gji s PRO 75 Cb -0.06 -3.95 -0.06 0.00 0.04 0.00 0.00 34.50 30.47 2gji s PRO 75 CO 0.03 -0.97 1.61 1.41 0.04 0.00 0.00 177.00 179.11 2gji s MET 76 N 4.14 4.20 0.01 4.56 1.75 -1.22 -4.76 119.30 127.98 2gji s MET 76 Ca 0.68 2.15 -0.21 0.00 -1.25 0.00 0.00 55.69 57.07 2gji s MET 76 Cb -0.28 -3.89 -0.06 0.00 2.84 0.00 0.00 34.83 33.45 2gji s MET 76 CO 0.26 -0.80 0.60 0.42 -0.65 0.00 0.00 175.02 174.85 2gji s ILE 77 N 3.68 4.88 0.11 10.11 1.01 -1.26 -4.89 121.20 134.84 2gji s ILE 77 Ca 0.71 1.26 -0.30 0.00 0.00 0.00 0.00 60.65 62.32 2gji s ILE 77 Cb -0.33 -3.93 -0.06 0.00 0.01 0.00 0.00 42.46 38.15 2gji s ILE 77 CO 0.29 0.43 1.07 -0.69 0.00 0.00 0.00 174.94 176.04 2gji s VAL 78 N -0.31 4.22 1.12 2.92 1.01 -1.26 -5.04 120.40 123.06 2gji s VAL 78 Ca 0.31 1.76 -0.16 0.00 0.00 0.00 0.00 61.98 63.89 2gji s VAL 78 Cb -0.18 -4.13 0.25 0.00 0.00 0.00 0.00 36.38 32.32 2gji s VAL 78 CO 0.18 0.23 1.10 -2.16 0.00 0.00 0.00 175.10 174.45 2gji s PRO 79 N 0.26 -0.56 -1.53 2.72 0.04 -1.26 -3.84 135.00 130.83 2gji s PRO 79 Ca 0.51 0.18 -0.13 0.00 0.04 0.00 0.00 61.00 61.60 2gji s PRO 79 Cb -0.27 -1.65 0.13 0.00 0.04 0.00 0.00 34.50 32.76 2gji s PRO 79 CO 0.31 -3.32 0.34 -2.37 0.04 0.00 0.00 177.00 172.00 2gji n THR 80 N -4.53 -0.30 -0.17 1.26 5.66 -1.26 -4.77 114.28 110.16 2gji n THR 80 Ca 0.09 -0.15 -0.01 0.00 -3.05 0.00 0.00 64.05 60.93 2gji n THR 80 Cb 0.59 -0.59 0.08 0.00 -1.55 0.00 0.00 70.33 68.86 2gji n THR 80 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 2gji h THR 81 N -0.99 0.63 0.00 1.09 2.02 -2.00 -3.57 112.91 110.09 2gji h THR 81 Ca -0.54 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.58 2gji h THR 81 Cb 1.21 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 2gji h THR 81 CO 0.72 0.03 0.00 -0.62 0.37 0.00 0.00 175.52 176.02