#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jng h ARG 5 N 0.00 0.49 -0.29 3.17 -0.00 -1.98 -3.01 114.38 112.76 2jng h ARG 5 Ca 0.00 -0.17 0.00 0.00 -0.50 0.00 0.00 59.98 59.31 2jng h ARG 5 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 29.93 2jng h ARG 5 CO 0.00 0.67 0.00 -1.13 0.00 0.00 0.00 179.97 179.51 2jng n SER 6 N -4.15 0.72 0.24 7.04 3.41 -1.26 -3.87 113.62 115.75 2jng n SER 6 Ca 0.00 -2.03 0.16 0.00 -0.26 0.00 0.00 58.87 56.74 2jng n SER 6 Cb 0.37 -0.17 0.63 0.00 -0.26 0.00 0.00 64.21 64.79 2jng n SER 6 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2jng h GLU 7 N 0.49 0.00 -7.23 4.33 4.11 -1.86 -3.40 114.58 111.03 2jng h GLU 7 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.90 2jng h GLU 7 Cb 0.25 0.00 0.18 0.00 0.50 0.00 0.00 28.75 29.68 2jng h GLU 7 CO 0.01 0.00 0.30 -0.06 0.07 0.00 0.00 179.01 179.34 2jng s PHE 8 N -3.58 1.77 0.24 2.06 0.40 -1.25 -4.88 117.98 112.74 2jng s PHE 8 Ca 0.02 1.71 -0.07 0.00 -0.60 0.00 0.00 56.93 57.99 2jng s PHE 8 Cb 0.09 -3.42 0.22 0.00 0.51 0.00 0.00 43.02 40.42 2jng s PHE 8 CO 0.52 -2.80 1.89 0.00 0.70 0.00 0.00 175.22 175.52 2jng h ALA 9 N -1.21 1.18 -0.00 5.36 0.00 -1.97 -1.24 119.26 121.38 2jng h ALA 9 Ca -0.45 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2jng h ALA 9 Cb 1.28 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2jng h ALA 9 CO 0.45 0.63 -0.81 0.43 0.00 0.00 0.00 179.25 179.95 2jng n SER 10 N -4.38 1.21 0.00 0.00 7.64 -1.26 -4.98 113.62 111.86 2jng n SER 10 Ca 0.10 -1.06 0.00 0.00 1.01 0.00 0.00 58.87 58.92 2jng n SER 10 Cb 0.06 0.78 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 2jng n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jng n GLY 11 N 1.48 1.01 0.32 0.23 0.00 -0.47 -4.46 105.19 103.30 2jng n GLY 11 Ca 0.06 -0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.23 2jng n GLY 11 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2jng h ASN 12 N 0.00 0.00 -0.77 1.61 2.35 -1.92 -1.97 115.58 114.89 2jng h ASN 12 Ca 0.00 0.00 0.22 0.00 -0.55 0.00 0.00 56.30 55.97 2jng h ASN 12 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2jng h ASN 12 CO 0.00 0.00 0.56 0.74 -1.65 0.00 0.00 177.43 177.08 2jng h THR 13 N 0.00 0.59 0.43 2.81 2.02 -1.94 0.82 112.91 117.65 2jng h THR 13 Ca 0.05 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 2jng h THR 13 Cb 0.29 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 2jng h THR 13 CO -0.00 0.00 -0.21 0.22 0.37 0.00 0.00 175.52 175.90 2jng h TYR 14 N 0.00 -0.54 -0.06 3.16 3.20 -1.62 0.08 116.97 121.19 2jng h TYR 14 Ca 0.36 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 2jng h TYR 14 Cb 1.48 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 39.93 2jng h TYR 14 CO 0.00 -0.30 -0.02 0.00 -1.64 0.00 0.00 178.16 176.20 2jng h ALA 15 N -0.09 1.87 -0.13 1.82 0.00 -1.10 -1.25 119.26 120.38 2jng h ALA 15 Ca -0.06 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 2jng h ALA 15 Cb 0.48 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.25 2jng h ALA 15 CO 0.10 0.10 -0.67 1.25 0.00 0.00 0.00 179.25 180.03 2jng h LEU 16 N 0.08 0.82 0.10 0.00 5.85 -0.77 -2.66 115.31 118.72 2jng h LEU 16 Ca 0.02 -0.64 -0.00 0.00 0.84 0.00 0.00 57.88 58.10 2jng h LEU 16 Cb 0.09 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.88 2jng h LEU 16 CO 0.00 1.32 -0.05 0.22 -0.34 0.00 0.00 178.44 179.60 2jng h TYR 17 N 0.37 -0.12 -0.84 1.25 3.20 -0.39 -2.45 116.97 117.99 2jng h TYR 17 Ca -0.05 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.85 2jng h TYR 17 Cb 1.31 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 39.57 2jng h TYR 17 CO 0.10 0.21 0.55 -0.39 -1.64 0.00 0.00 178.16 176.98 2jng h VAL 18 N -0.47 1.15 0.00 1.81 -1.51 -1.33 -1.60 116.25 114.30 2jng h VAL 18 Ca -0.01 -0.37 -0.01 0.00 -1.23 0.00 0.00 66.70 65.08 2jng h VAL 18 Cb 0.39 -0.01 -0.00 0.00 -2.13 0.00 0.00 31.29 29.53 2jng h VAL 18 CO 0.02 0.20 -0.03 0.08 -1.23 0.00 0.00 177.57 176.60 2jng h ARG 19 N 1.07 0.00 -0.01 5.19 0.11 -1.50 -0.03 114.38 119.21 2jng h ARG 19 Ca 0.33 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 60.19 2jng h ARG 19 Cb -0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.06 2jng h ARG 19 CO -0.11 0.03 -0.92 0.22 0.10 0.00 0.00 179.97 179.30 2jng h ASP 20 N 0.00 0.55 0.59 0.08 3.58 -0.80 -3.26 116.42 117.16 2jng h ASP 20 Ca -0.00 -0.43 -0.28 0.00 0.42 0.00 0.00 57.03 56.74 2jng h ASP 20 Cb 0.62 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 2jng h ASP 20 CO 0.00 1.22 -1.37 0.74 -2.88 0.00 0.00 179.24 176.95 2jng h THR 21 N 0.25 1.33 -1.63 2.25 2.02 -1.13 -3.43 112.91 112.57 2jng h THR 21 Ca -0.07 -2.97 -0.46 0.00 0.77 0.00 0.00 66.41 63.68 2jng h THR 21 Cb 1.55 2.82 -0.05 0.00 -1.74 0.00 0.00 68.15 70.73 2jng h THR 21 CO 0.16 0.85 1.16 -0.22 0.37 0.00 0.00 175.52 177.84 2jng s LEU 22 N -6.96 3.25 0.54 2.58 2.96 -0.05 -4.98 118.68 116.03 2jng s LEU 22 Ca -0.06 -0.16 -0.06 0.00 -0.22 0.00 0.00 54.13 53.64 2jng s LEU 22 Cb 0.07 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.20 2jng s LEU 22 CO 0.86 -2.35 0.85 -1.10 -1.32 0.00 0.00 176.35 173.29 2jng s GLN 23 N 6.73 3.24 0.07 1.98 -0.21 -1.26 -4.87 119.66 125.34 2jng s GLN 23 Ca 0.62 0.12 -0.32 0.00 0.02 0.00 0.00 55.36 55.80 2jng s GLN 23 Cb -0.10 -2.31 -0.11 0.00 1.00 0.00 0.00 33.01 31.49 2jng s GLN 23 CO 0.12 -0.46 1.81 -2.30 -2.12 0.00 0.00 175.29 172.34 2jng n PRO 24 N -2.44 2.54 -0.04 2.91 -0.02 -1.26 -1.69 135.00 134.99 2jng n PRO 24 Ca 0.03 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2jng n PRO 24 Cb 0.56 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 2jng n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jng n GLY 25 N 4.15 0.41 3.73 -1.23 0.00 -0.24 -5.03 105.19 106.97 2jng n GLY 25 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2jng n GLY 25 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jng s MET 26 N -0.90 4.54 0.30 1.61 0.00 -0.68 -4.61 119.30 119.56 2jng s MET 26 Ca 0.00 1.75 -0.28 0.00 0.00 0.00 0.00 55.69 57.16 2jng s MET 26 Cb 0.00 -3.29 -0.09 0.00 0.00 0.00 0.00 34.83 31.45 2jng s MET 26 CO 0.00 -0.02 1.04 0.50 0.00 0.00 0.00 175.02 176.54 2jng s ARG 27 N -0.05 4.57 0.30 4.11 3.52 -0.66 -0.70 118.95 130.05 2jng s ARG 27 Ca 0.52 1.63 0.11 0.00 -0.13 0.00 0.00 55.73 57.86 2jng s ARG 27 Cb -0.30 -3.03 -0.06 0.00 -1.56 0.00 0.00 34.95 30.01 2jng s ARG 27 CO 0.34 0.20 -0.16 0.14 -0.81 0.00 0.00 175.30 175.01 2jng s VAL 28 N -1.32 2.41 -0.15 7.11 -7.23 0.19 -2.10 120.40 119.31 2jng s VAL 28 Ca 0.47 -2.33 0.02 0.00 -1.81 0.00 0.00 61.98 58.33 2jng s VAL 28 Cb -0.27 -2.44 0.02 0.00 0.56 0.00 0.00 36.38 34.25 2jng s VAL 28 CO 0.35 -0.33 -0.19 -0.60 -0.31 0.00 0.00 175.10 174.02 2jng s ARG 29 N -3.55 2.79 -0.44 4.82 6.06 0.35 -2.01 118.95 126.97 2jng s ARG 29 Ca 0.31 -0.76 -0.28 0.00 -2.50 0.00 0.00 55.73 52.49 2jng s ARG 29 Cb -0.02 -2.35 0.01 0.00 0.06 0.00 0.00 34.95 32.64 2jng s ARG 29 CO 0.16 -0.12 1.46 1.41 -2.50 0.00 0.00 175.30 175.70 2jng s MET 30 N 1.10 3.47 0.02 5.12 -2.45 0.00 -0.16 119.30 126.41 2jng s MET 30 Ca -0.01 0.87 0.14 0.00 -1.25 0.00 0.00 55.69 55.44 2jng s MET 30 Cb -0.14 -4.07 -0.18 0.00 1.25 0.00 0.00 34.83 31.69 2jng s MET 30 CO -0.07 -1.70 0.80 1.25 1.05 0.00 0.00 175.02 176.35 2jng h LEU 31 N 12.64 0.00 -7.89 4.11 7.12 -1.84 0.11 115.31 129.56 2jng h LEU 31 Ca -0.28 0.00 -0.34 0.00 0.13 0.00 0.00 57.88 57.39 2jng h LEU 31 Cb 1.11 0.00 -0.29 0.00 -0.53 0.00 0.00 40.66 40.95 2jng h LEU 31 CO 1.10 0.82 -0.76 -0.62 -0.13 0.00 0.00 178.44 178.86 2jng s ASP 32 N -6.03 0.66 0.39 1.25 2.15 -0.99 -4.82 116.67 109.28 2jng s ASP 32 Ca -0.03 -0.10 -0.24 0.00 0.43 0.00 0.00 52.55 52.61 2jng s ASP 32 Cb 0.08 -0.11 -0.09 0.00 -0.30 0.00 0.00 42.92 42.50 2jng s ASP 32 CO 0.82 0.05 1.04 1.51 -0.17 0.00 0.00 175.17 178.41 2jng s ASP 33 N 0.00 6.84 -0.27 -0.34 -4.77 -1.26 -4.53 116.67 112.34 2jng s ASP 33 Ca 0.00 2.01 -0.01 0.00 -3.30 0.00 0.00 52.55 51.25 2jng s ASP 33 Cb -0.04 -2.58 0.16 0.00 -1.09 0.00 0.00 42.92 39.37 2jng s ASP 33 CO -0.00 -0.43 0.49 -0.47 0.70 0.00 0.00 175.17 175.46 2jng s TYR 34 N -1.66 -1.24 0.00 2.11 5.04 0.66 -4.94 117.35 117.32 2jng s TYR 34 Ca 0.57 1.22 0.00 0.00 -2.44 0.00 0.00 57.07 56.42 2jng s TYR 34 Cb -0.21 0.27 0.00 0.00 0.35 0.00 0.00 41.96 42.37 2jng s TYR 34 CO 0.27 -0.82 0.00 0.39 -1.34 0.00 0.00 175.55 174.05 2jng n GLU 35 N 5.40 0.00 0.16 4.97 -0.58 -1.26 -1.11 120.64 128.21 2jng n GLU 35 Ca -0.02 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.74 2jng n GLU 35 Cb 0.51 0.00 0.23 0.00 -0.57 0.00 0.00 31.44 31.61 2jng n GLU 35 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2jng h GLU 36 N 0.00 0.00 -5.92 3.49 5.08 -2.03 -3.44 114.58 111.76 2jng h GLU 36 Ca 0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 2jng h GLU 36 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2jng h GLU 36 CO 0.00 0.52 -0.44 0.42 -1.00 0.00 0.00 179.01 178.51 2jng s ILE 37 N -3.59 5.35 0.29 3.13 -1.09 -0.26 -5.10 121.20 119.92 2jng s ILE 37 Ca -0.01 -0.12 0.06 0.00 -2.23 0.00 0.00 60.65 58.35 2jng s ILE 37 Cb 0.12 -3.59 -0.06 0.00 -1.58 0.00 0.00 42.46 37.35 2jng s ILE 37 CO 0.73 0.23 -0.03 -0.44 -1.23 0.00 0.00 174.94 174.20 2jng s SER 38 N -2.14 2.71 0.28 3.58 0.01 -1.26 -0.25 113.70 116.63 2jng s SER 38 Ca 0.32 -1.23 -0.29 0.00 1.31 0.00 0.00 55.95 56.05 2jng s SER 38 Cb -0.13 -0.16 -0.10 0.00 0.21 0.00 0.00 66.02 65.85 2jng s SER 38 CO 0.22 -0.40 1.30 0.00 0.41 0.00 0.00 173.24 174.77 2jng s ALA 39 N -3.06 3.51 0.00 1.44 0.00 -1.26 -2.74 121.76 119.65 2jng s ALA 39 Ca 0.31 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.45 2jng s ALA 39 Cb 0.05 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2jng s ALA 39 CO 0.13 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 175.73 2jng n GLY 40 N 1.47 1.72 3.77 0.00 0.00 0.38 -5.00 105.19 107.53 2jng n GLY 40 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2jng n GLY 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jng s ASP 41 N -1.55 6.61 0.09 1.61 -1.08 -1.11 -4.80 116.67 116.45 2jng s ASP 41 Ca 0.00 2.52 0.09 0.00 -0.52 0.00 0.00 52.55 54.64 2jng s ASP 41 Cb 0.00 -2.63 -0.04 0.00 -1.46 0.00 0.00 42.92 38.79 2jng s ASP 41 CO 0.00 -0.63 -0.23 -1.61 0.52 0.00 0.00 175.17 173.22 2jng s GLU 42 N -2.05 1.73 0.07 4.34 2.02 -1.26 -0.82 118.70 122.73 2jng s GLU 42 Ca 0.53 -1.18 -0.02 0.00 0.02 0.00 0.00 54.97 54.32 2jng s GLU 42 Cb -0.35 -2.03 0.01 0.00 0.10 0.00 0.00 34.13 31.85 2jng s GLU 42 CO 0.46 0.49 0.14 0.41 0.02 0.00 0.00 175.26 176.77 2jng n GLY 43 N 1.19 1.90 3.23 -1.39 0.00 -0.85 -0.90 105.19 108.36 2jng n GLY 43 Ca -0.17 -1.08 -0.25 0.00 0.00 0.00 0.00 46.02 44.52 2jng n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jng s GLU 44 N -2.03 1.38 -0.29 1.61 2.12 0.11 0.53 118.70 122.14 2jng s GLU 44 Ca 0.03 -0.88 -0.23 0.00 0.36 0.00 0.00 54.97 54.24 2jng s GLU 44 Cb -0.01 -1.46 -0.00 0.00 0.26 0.00 0.00 34.13 32.92 2jng s GLU 44 CO 0.02 0.38 0.78 0.12 -0.54 0.00 0.00 175.26 176.02 2jng s PHE 45 N -0.75 3.24 -0.14 5.30 5.36 0.13 -1.42 117.98 129.69 2jng s PHE 45 Ca 0.07 0.89 -0.13 0.00 -0.96 0.00 0.00 56.93 56.79 2jng s PHE 45 Cb -0.08 -3.14 -0.10 0.00 -0.34 0.00 0.00 43.02 39.35 2jng s PHE 45 CO 0.01 -0.50 0.15 0.00 -1.46 0.00 0.00 175.22 173.42 2jng h ARG 46 N 7.99 0.00 -1.30 10.12 2.47 -1.83 -0.62 114.38 131.20 2jng h ARG 46 Ca -0.24 0.00 0.36 0.00 -1.26 0.00 0.00 59.98 58.84 2jng h ARG 46 Cb 1.10 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 29.29 2jng h ARG 46 CO 0.87 0.43 0.91 1.14 0.56 0.00 0.00 179.97 183.88 2jng s GLN 47 N -2.07 0.21 0.23 0.04 1.03 -1.18 -4.68 119.66 113.25 2jng s GLN 47 Ca -0.15 -0.12 -0.01 0.00 0.04 0.00 0.00 55.36 55.13 2jng s GLN 47 Cb 0.01 0.07 -0.03 0.00 0.03 0.00 0.00 33.01 33.09 2jng s GLN 47 CO 0.34 -0.10 0.20 -1.54 -2.54 0.00 0.00 175.29 171.65 2jng s SER 48 N -3.06 0.43 -0.35 12.60 1.04 -1.26 -2.11 113.70 120.99 2jng s SER 48 Ca 0.16 -1.42 -0.02 0.00 0.48 0.00 0.00 55.95 55.15 2jng s SER 48 Cb 0.06 0.44 0.08 0.00 0.10 0.00 0.00 66.02 66.69 2jng s SER 48 CO -0.05 -0.92 0.09 0.20 0.98 0.00 0.00 173.24 173.54 2jng s ASN 49 N -3.19 5.03 0.20 7.02 0.01 -1.26 -4.99 114.94 117.76 2jng s ASN 49 Ca 0.38 -1.66 0.00 0.00 -0.71 0.00 0.00 52.86 50.87 2jng s ASN 49 Cb 0.05 -1.75 0.00 0.00 0.41 0.00 0.00 41.25 39.96 2jng s ASN 49 CO 0.15 -0.38 0.00 0.59 -1.51 0.00 0.00 177.10 175.94 2jng n ASN 50 N 4.58 0.00 -2.51 -1.22 4.13 -1.26 -1.48 115.26 117.49 2jng n ASN 50 Ca -0.07 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.18 2jng n ASN 50 Cb 0.42 0.00 0.07 0.00 -1.54 0.00 0.00 39.78 38.73 2jng n ASN 50 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jng n GLY 51 N 0.00 1.72 3.89 7.41 0.00 -1.26 -5.12 105.19 111.83 2jng n GLY 51 Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 2jng n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jng s VAL 52 N -1.60 5.00 0.19 1.61 -7.23 -0.55 -5.02 120.40 112.79 2jng s VAL 52 Ca 0.18 0.19 -0.12 0.00 -1.81 0.00 0.00 61.98 60.42 2jng s VAL 52 Cb 0.35 -3.69 0.09 0.00 0.56 0.00 0.00 36.38 33.69 2jng s VAL 52 CO -0.08 -0.24 1.77 -0.65 -0.31 0.00 0.00 175.10 175.58 2jng h PRO 53 N 1.96 0.43 -6.66 4.82 0.11 -1.93 -3.43 132.00 127.31 2jng h PRO 53 Ca -0.47 -0.03 -0.52 0.00 0.11 0.00 0.00 66.00 65.09 2jng h PRO 53 Cb 1.18 -0.10 0.05 0.00 0.11 0.00 0.00 31.00 32.25 2jng h PRO 53 CO 0.67 0.29 0.92 -1.25 -0.21 0.00 0.00 178.00 178.42 2jng s PRO 54 N -6.12 4.18 -0.01 1.05 0.04 -1.26 -3.59 135.00 129.29 2jng s PRO 54 Ca -0.13 2.47 0.04 0.00 0.04 0.00 0.00 61.00 63.41 2jng s PRO 54 Cb 0.14 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.57 2jng s PRO 54 CO 0.73 -0.65 -0.12 0.54 0.04 0.00 0.00 177.00 177.54 2jng s VAL 55 N 0.94 0.99 -0.45 -0.36 0.11 -0.54 -4.42 120.40 116.67 2jng s VAL 55 Ca 0.70 -0.53 -0.18 0.00 -2.93 0.00 0.00 61.98 59.04 2jng s VAL 55 Cb -0.46 -0.82 0.03 0.00 -1.53 0.00 0.00 36.38 33.60 2jng s VAL 55 CO 0.34 0.28 0.52 -1.58 -3.33 0.00 0.00 175.10 171.33 2jng s GLN 56 N -0.28 3.13 -0.03 1.54 2.00 -0.90 -1.17 119.66 123.96 2jng s GLN 56 Ca 0.05 -0.76 0.06 0.00 -2.00 0.00 0.00 55.36 52.70 2jng s GLN 56 Cb -0.05 -4.01 -0.01 0.00 0.80 0.00 0.00 33.01 29.74 2jng s GLN 56 CO -0.00 -0.99 -0.20 0.08 -0.50 0.00 0.00 175.29 173.68 2jng s VAL 57 N 2.35 1.61 -0.24 1.34 1.01 -0.63 -2.58 120.40 123.27 2jng s VAL 57 Ca 0.14 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 2jng s VAL 57 Cb -0.17 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 2jng s VAL 57 CO 0.14 0.46 0.26 0.12 0.00 0.00 0.00 175.10 176.07 2jng s PHE 58 N -0.33 3.30 -0.38 5.22 2.19 -0.51 -0.68 117.98 126.79 2jng s PHE 58 Ca 0.04 0.33 -0.18 0.00 0.33 0.00 0.00 56.93 57.45 2jng s PHE 58 Cb -0.09 -2.40 0.01 0.00 -1.31 0.00 0.00 43.02 39.22 2jng s PHE 58 CO 0.00 -0.04 0.47 -1.58 1.83 0.00 0.00 175.22 175.90 2jng s TRP 59 N 1.42 3.17 -0.41 10.12 0.52 0.32 0.07 118.94 134.15 2jng s TRP 59 Ca 0.11 -0.07 0.26 0.00 0.02 0.00 0.00 56.10 56.43 2jng s TRP 59 Cb -0.15 -2.91 0.81 0.00 -1.15 0.00 0.00 33.47 30.07 2jng s TRP 59 CO 0.07 -0.61 1.76 0.93 0.02 0.00 0.00 176.95 179.12 2jng h GLU 60 N 8.60 0.00 0.00 4.98 5.08 -1.32 0.41 114.58 132.33 2jng h GLU 60 Ca -0.27 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.95 2jng h GLU 60 Cb 1.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2jng h GLU 60 CO 0.78 0.00 -0.63 1.03 -1.00 0.00 0.00 179.01 179.18 2jng h SER 61 N 0.00 0.00 0.00 1.42 0.87 -1.87 -3.37 113.55 110.60 2jng h SER 61 Ca 0.00 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.22 2jng h SER 61 Cb 0.71 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.62 2jng h SER 61 CO 0.00 0.63 -2.15 0.35 -0.53 0.00 0.00 176.83 175.14 2jng n THR 62 N -3.26 1.13 0.00 2.23 -2.24 -1.04 -5.03 114.28 106.07 2jng n THR 62 Ca 0.01 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2jng n THR 62 Cb 0.79 -1.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 2jng n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jng n GLY 63 N 1.76 1.27 3.47 3.38 0.00 0.14 -5.09 105.19 110.12 2jng n GLY 63 Ca -0.40 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 2jng n GLY 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jng s ARG 64 N -0.25 2.51 0.07 1.61 1.81 -1.19 -4.93 118.95 118.57 2jng s ARG 64 Ca 0.00 -0.70 -0.19 0.00 -1.72 0.00 0.00 55.73 53.12 2jng s ARG 64 Cb 0.00 -2.38 -0.07 0.00 -0.45 0.00 0.00 34.95 32.05 2jng s ARG 64 CO 0.00 0.62 0.57 0.99 -0.68 0.00 0.00 175.30 176.80 2jng s THR 65 N -0.72 4.75 -0.04 0.02 2.01 -1.26 -0.52 115.64 119.88 2jng s THR 65 Ca 0.11 1.22 -0.18 0.00 0.31 0.00 0.00 61.69 63.15 2jng s THR 65 Cb -0.11 -3.90 0.03 0.00 0.01 0.00 0.00 72.50 68.54 2jng s THR 65 CO 0.01 0.54 0.40 -0.47 -0.69 0.00 0.00 174.62 174.41 2jng s TYR 66 N -1.02 -0.32 -0.33 4.92 5.04 0.14 -4.98 117.35 120.81 2jng s TYR 66 Ca 0.29 0.56 -0.18 0.00 -2.44 0.00 0.00 57.07 55.30 2jng s TYR 66 Cb -0.19 0.17 -0.01 0.00 0.35 0.00 0.00 41.96 42.27 2jng s TYR 66 CO 0.19 -0.41 0.52 1.67 -1.34 0.00 0.00 175.55 176.18 2jng s TRP 67 N -1.07 3.20 0.51 4.97 1.48 -1.24 -1.60 118.94 125.19 2jng s TRP 67 Ca -0.11 0.31 0.06 0.00 -1.06 0.00 0.00 56.10 55.30 2jng s TRP 67 Cb -0.04 -2.89 0.02 0.00 -1.16 0.00 0.00 33.47 29.40 2jng s TRP 67 CO 0.05 -0.48 0.40 0.08 -4.06 0.00 0.00 176.95 172.93 2jng s VAL 68 N 2.40 1.91 -0.11 -0.66 1.01 -0.31 -4.75 120.40 119.89 2jng s VAL 68 Ca 0.20 -1.46 -0.02 0.00 0.00 0.00 0.00 61.98 60.69 2jng s VAL 68 Cb -0.15 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 2jng s VAL 68 CO 0.12 0.00 -0.02 -1.00 0.00 0.00 0.00 175.10 174.21 2jng s HIS 69 N -2.70 3.09 0.39 5.22 3.76 -1.26 -1.47 115.29 122.32 2jng s HIS 69 Ca 0.38 0.03 0.12 0.00 -0.15 0.00 0.00 55.06 55.45 2jng s HIS 69 Cb -0.02 -1.84 0.94 0.00 1.11 0.00 0.00 32.58 32.77 2jng s HIS 69 CO 0.23 0.30 1.90 -1.49 -0.85 0.00 0.00 174.74 174.83 2jng h TRP 70 N 5.66 0.64 0.00 1.40 4.06 -1.93 -2.10 115.95 123.68 2jng h TRP 70 Ca -0.45 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.52 2jng h TRP 70 Cb 1.19 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 29.15 2jng h TRP 70 CO 0.59 0.25 0.00 -2.39 -3.56 0.00 0.00 178.44 173.33 2jng n HIS 71 N -4.51 0.00 -0.57 0.49 1.44 -1.26 -2.64 115.22 108.17 2jng n HIS 71 Ca 0.15 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.90 2jng n HIS 71 Cb 0.49 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.65 2jng n HIS 71 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2jng n MET 72 N -0.86 2.01 -4.42 -1.40 0.00 -0.79 -4.96 117.12 106.71 2jng n MET 72 Ca 0.17 -1.85 -0.29 0.00 0.00 0.00 0.00 57.70 55.72 2jng n MET 72 Cb 0.08 -1.15 -0.13 0.00 0.00 0.00 0.00 33.22 32.02 2jng n MET 72 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 175.97 175.49 2jng s LEU 73 N -1.65 2.44 -0.09 3.17 0.05 -1.08 -2.34 118.68 119.17 2jng s LEU 73 Ca 0.13 -0.67 -0.03 0.00 0.05 0.00 0.00 54.13 53.61 2jng s LEU 73 Cb 0.11 -1.34 -0.03 0.00 -2.05 0.00 0.00 46.19 42.88 2jng s LEU 73 CO 0.01 0.19 0.03 -0.70 -0.55 0.00 0.00 176.35 175.33 2jng s GLU 74 N -1.99 3.07 -0.28 1.48 -6.30 0.77 -4.85 118.70 110.61 2jng s GLU 74 Ca 0.15 -0.36 -0.16 0.00 -2.50 0.00 0.00 54.97 52.10 2jng s GLU 74 Cb -0.10 -2.87 -0.03 0.00 0.00 0.00 0.00 34.13 31.13 2jng s GLU 74 CO 0.07 0.72 0.42 -1.50 0.02 0.00 0.00 175.26 174.98 2jng s ILE 75 N -0.93 5.13 0.00 -3.70 -1.16 -1.26 -0.49 121.20 118.79 2jng s ILE 75 Ca 0.14 0.61 0.00 0.00 -0.51 0.00 0.00 60.65 60.89 2jng s ILE 75 Cb -0.11 -3.76 0.00 0.00 0.61 0.00 0.00 42.46 39.20 2jng s ILE 75 CO 0.03 0.10 0.00 0.18 -2.81 0.00 0.00 174.94 172.44 2jng n LEU 76 N 5.42 0.49 0.00 8.50 4.77 -1.17 -4.94 117.00 130.08 2jng n LEU 76 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2jng n LEU 76 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2jng n LEU 76 CO 0.39 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2jng n GLY 77 N 2.61 0.26 2.72 -0.72 0.00 -0.89 -4.96 105.19 104.21 2jng n GLY 77 Ca 0.00 -1.61 -0.03 0.00 0.00 0.00 0.00 46.02 44.38 2jng n GLY 77 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2jng n PHE 78 N 9.00 -0.91 -1.08 1.61 -1.74 -1.26 -1.66 117.46 121.41 2jng n PHE 78 Ca 0.00 -2.00 -0.18 0.00 -0.56 0.00 0.00 57.45 54.71 2jng n PHE 78 Cb 0.00 0.88 -0.14 0.00 1.52 0.00 0.00 39.48 41.74 2jng n PHE 78 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59 2jng n GLU 79 N -0.93 2.34 -0.73 3.97 -0.58 -1.26 -5.05 120.64 118.41 2jng n GLU 79 Ca -0.05 -1.29 0.00 0.00 -0.42 0.00 0.00 57.16 55.40 2jng n GLU 79 Cb 0.85 -2.15 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 2jng n GLU 79 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04