#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 0.73 -0.49 0.03 -0.00 -2.00 -1.23 114.38 111.42 2jng h ARG 5 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 59.98 59.94 2jng h ARG 5 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 29.97 29.81 2jng h ARG 5 CO 0.00 0.48 0.00 0.43 -0.00 0.00 0.00 179.97 180.88 2jng n SER 6 N -4.73 2.61 0.20 0.08 7.64 -1.26 -3.47 113.62 114.68 2jng n SER 6 Ca 0.07 -2.10 0.10 0.00 1.01 0.00 0.00 58.87 57.96 2jng n SER 6 Cb 0.12 -0.35 0.17 0.00 -1.01 0.00 0.00 64.21 63.15 2jng n SER 6 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2jng h GLU 7 N 2.54 0.00 -7.30 1.43 4.81 -1.59 -3.41 114.58 111.05 2jng h GLU 7 Ca 0.00 0.00 -0.40 0.00 -0.13 0.00 0.00 59.36 58.83 2jng h GLU 7 Cb 0.73 0.00 0.20 0.00 0.63 0.00 0.00 28.75 30.31 2jng h GLU 7 CO 0.05 0.14 0.06 -0.06 -0.73 0.00 0.00 179.01 178.47 2jng s PHE 8 N -3.19 0.01 0.18 0.92 0.40 -1.23 -4.94 117.98 110.14 2jng s PHE 8 Ca 0.06 0.46 -0.13 0.00 -0.60 0.00 0.00 56.93 56.72 2jng s PHE 8 Cb 0.06 -3.33 0.17 0.00 0.51 0.00 0.00 43.02 40.43 2jng s PHE 8 CO 0.68 -4.28 1.73 0.00 0.70 0.00 0.00 175.22 174.06 2jng h ALA 9 N -2.88 0.56 0.00 5.36 0.00 -1.90 -3.28 119.26 117.12 2jng h ALA 9 Ca -0.43 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2jng h ALA 9 Cb 1.30 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2jng h ALA 9 CO 0.30 -0.27 0.00 0.45 0.00 0.00 0.00 179.25 179.73 2jng n SER 10 N -5.06 0.52 0.00 0.00 2.88 -1.26 -5.01 113.62 105.69 2jng n SER 10 Ca 0.05 -0.91 0.00 0.00 -1.33 0.00 0.00 58.87 56.67 2jng n SER 10 Cb 0.21 0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 2jng n SER 10 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jng n GLY 11 N 0.07 1.74 0.34 0.46 0.00 -1.24 -4.67 105.19 101.89 2jng n GLY 11 Ca 0.00 -0.22 0.18 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.17 1.61 2.35 -1.94 -0.81 115.58 116.63 2jng h ASN 12 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jng h ASN 12 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2jng h ASN 12 CO 0.00 0.00 0.11 0.74 -1.65 0.00 0.00 177.43 176.63 2jng h THR 13 N 0.00 1.04 -0.28 2.81 2.02 -1.86 -0.52 112.91 116.12 2jng h THR 13 Ca 0.09 -0.08 -0.15 0.00 0.77 0.00 0.00 66.41 67.04 2jng h THR 13 Cb 0.53 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2jng h THR 13 CO -0.00 0.04 -0.43 0.22 0.37 0.00 0.00 175.52 175.72 2jng h TYR 14 N 0.22 0.85 -0.75 3.16 3.20 -1.33 -1.79 116.97 120.54 2jng h TYR 14 Ca 0.06 -0.26 -0.04 0.00 3.14 0.00 0.00 58.73 61.64 2jng h TYR 14 Cb -0.02 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 2jng h TYR 14 CO -0.00 1.01 0.33 0.00 -1.64 0.00 0.00 178.16 177.86 2jng h ALA 15 N 0.95 1.17 0.00 1.82 0.00 -1.19 -0.41 119.26 121.60 2jng h ALA 15 Ca 0.04 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 2jng h ALA 15 Cb 0.97 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2jng h ALA 15 CO 0.09 0.61 -0.64 1.37 0.00 0.00 0.00 179.25 180.68 2jng h LEU 16 N 1.07 0.00 0.30 0.00 8.10 -1.15 0.57 115.31 124.20 2jng h LEU 16 Ca 0.25 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.23 2jng h LEU 16 Cb 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.38 2jng h LEU 16 CO -0.03 0.64 -0.14 0.22 -4.11 0.00 0.00 178.44 175.02 2jng h TYR 17 N 0.00 -0.37 -0.07 0.17 3.20 -0.73 -2.75 116.97 116.41 2jng h TYR 17 Ca -0.01 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 2jng h TYR 17 Cb 1.23 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.61 2jng h TYR 17 CO 0.00 -0.09 -0.45 -0.39 -1.64 0.00 0.00 178.16 175.59 2jng h VAL 18 N -0.62 1.33 -0.26 1.81 -1.51 -1.06 -2.96 116.25 112.97 2jng h VAL 18 Ca -0.04 -1.60 0.06 0.00 -1.23 0.00 0.00 66.70 63.89 2jng h VAL 18 Cb 0.45 1.78 -0.08 0.00 -2.13 0.00 0.00 31.29 31.31 2jng h VAL 18 CO 0.07 0.47 -0.29 -0.09 -1.23 0.00 0.00 177.57 176.50 2jng h ARG 19 N 0.14 -0.28 0.00 5.19 2.43 -0.82 0.26 114.38 121.30 2jng h ARG 19 Ca 0.01 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2jng h ARG 19 Cb 0.85 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 2jng h ARG 19 CO 0.07 -0.19 0.00 -0.25 -1.51 0.00 0.00 179.97 178.09 2jng n ASP 20 N -5.40 0.31 0.00 -3.80 8.00 -1.05 -2.61 116.55 112.01 2jng n ASP 20 Ca -0.01 0.55 0.11 0.00 0.71 0.00 0.00 54.79 56.15 2jng n ASP 20 Cb 0.32 -0.63 -0.13 0.00 -0.02 0.00 0.00 41.12 40.66 2jng n ASP 20 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2jng n THR 21 N -1.81 0.04 -2.81 -3.53 -1.04 -0.58 -4.86 114.28 99.68 2jng n THR 21 Ca 0.05 -0.35 -0.43 0.00 -2.04 0.00 0.00 64.05 61.28 2jng n THR 21 Cb 0.30 0.27 -0.04 0.00 -1.82 0.00 0.00 70.33 69.04 2jng n THR 21 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2jng s LEU 22 N -4.10 4.04 0.19 -4.42 2.96 0.83 -5.03 118.68 113.15 2jng s LEU 22 Ca -0.02 -0.29 -0.08 0.00 -0.22 0.00 0.00 54.13 53.51 2jng s LEU 22 Cb 0.14 -2.87 -0.07 0.00 0.50 0.00 0.00 46.19 43.90 2jng s LEU 22 CO 0.89 -1.24 0.49 -1.10 -1.32 0.00 0.00 176.35 174.06 2jng s GLN 23 N 4.03 3.76 0.08 1.98 -0.21 -1.26 -4.96 119.66 123.06 2jng s GLN 23 Ca 0.32 0.18 -0.34 0.00 0.02 0.00 0.00 55.36 55.54 2jng s GLN 23 Cb -0.12 -2.74 -0.13 0.00 1.00 0.00 0.00 33.01 31.02 2jng s GLN 23 CO 0.20 0.38 1.72 -2.30 -2.12 0.00 0.00 175.29 173.17 2jng n PRO 24 N 0.04 2.27 0.00 2.91 -0.02 -1.26 -1.67 135.00 137.27 2jng n PRO 24 Ca -0.01 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 2jng n PRO 24 Cb 0.52 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 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 3.87 2.59 3.74 -1.23 0.00 0.11 -4.98 105.19 109.28 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 1.06 0.00 0.00 0.00 173.32 174.38 2jng s MET 26 N -0.42 4.60 0.27 1.61 -1.94 -0.67 -4.74 119.30 118.02 2jng s MET 26 Ca 0.00 1.69 -0.23 0.00 -1.71 0.00 0.00 55.69 55.44 2jng s MET 26 Cb 0.00 -3.29 -0.09 0.00 2.01 0.00 0.00 34.83 33.46 2jng s MET 26 CO 0.00 0.09 0.84 0.50 -0.01 0.00 0.00 175.02 176.44 2jng s ARG 27 N -0.33 4.43 0.18 2.03 3.52 -0.22 -1.00 118.95 127.57 2jng s ARG 27 Ca 0.49 1.11 0.06 0.00 -0.13 0.00 0.00 55.73 57.27 2jng s ARG 27 Cb -0.29 -2.84 -0.05 0.00 -1.56 0.00 0.00 34.95 30.21 2jng s ARG 27 CO 0.34 0.34 -0.12 0.14 -0.81 0.00 0.00 175.30 175.19 2jng s VAL 28 N -1.57 1.49 -0.07 7.11 -7.23 0.12 -1.27 120.40 118.99 2jng s VAL 28 Ca 0.47 -2.15 0.05 0.00 -1.81 0.00 0.00 61.98 58.54 2jng s VAL 28 Cb -0.18 -1.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.79 2jng s VAL 28 CO 0.22 -0.65 -0.23 -0.60 -0.31 0.00 0.00 175.10 173.53 2jng s ARG 29 N -3.69 2.56 -0.19 4.82 6.06 0.09 -1.42 118.95 127.19 2jng s ARG 29 Ca 0.20 -0.85 -0.25 0.00 -2.50 0.00 0.00 55.73 52.34 2jng s ARG 29 Cb 0.01 -2.10 -0.01 0.00 0.06 0.00 0.00 34.95 32.91 2jng s ARG 29 CO 0.04 0.30 0.82 1.41 -2.50 0.00 0.00 175.30 175.37 2jng s MET 30 N 0.03 4.26 0.00 5.12 -2.45 0.93 -0.89 119.30 126.30 2jng s MET 30 Ca -0.08 0.97 0.23 0.00 -1.25 0.00 0.00 55.69 55.56 2jng s MET 30 Cb -0.15 -3.59 0.29 0.00 1.25 0.00 0.00 34.83 32.63 2jng s MET 30 CO 0.05 -0.37 1.30 1.28 1.05 0.00 0.00 175.02 178.32 2jng n LEU 31 N 5.43 3.15 -3.90 4.11 4.32 -0.69 -0.23 117.00 129.19 2jng n LEU 31 Ca 0.04 -1.23 -0.09 0.00 -0.02 0.00 0.00 56.01 54.71 2jng n LEU 31 Cb 0.48 -0.11 -0.09 0.00 -1.62 0.00 0.00 43.42 42.09 2jng n LEU 31 CO 0.48 0.60 -0.17 -0.62 -1.22 0.00 0.00 177.39 176.46 2jng s ASP 32 N -1.71 0.15 -0.22 -1.43 2.15 -1.25 -4.88 116.67 109.47 2jng s ASP 32 Ca 0.32 -0.54 -0.19 0.00 0.43 0.00 0.00 52.55 52.56 2jng s ASP 32 Cb 0.21 0.27 -0.03 0.00 -0.30 0.00 0.00 42.92 43.06 2jng s ASP 32 CO 0.30 -0.57 0.56 -0.62 -0.17 0.00 0.00 175.17 174.66 2jng s ASP 33 N -2.32 6.55 -0.31 -0.34 2.15 -1.26 -2.98 116.67 118.16 2jng s ASP 33 Ca -0.02 0.67 -0.01 0.00 0.43 0.00 0.00 52.55 53.62 2jng s ASP 33 Cb 0.01 -2.31 0.13 0.00 -0.30 0.00 0.00 42.92 40.45 2jng s ASP 33 CO -0.06 -0.26 0.26 -0.47 -0.17 0.00 0.00 175.17 174.47 2jng s TYR 34 N 2.01 -0.13 0.00 -5.34 5.04 0.58 -4.95 117.35 114.56 2jng s TYR 34 Ca 0.24 -0.60 0.00 0.00 -2.44 0.00 0.00 57.07 54.27 2jng s TYR 34 Cb -0.16 -0.60 0.00 0.00 0.35 0.00 0.00 41.96 41.55 2jng s TYR 34 CO 0.09 -0.90 0.00 0.39 -1.34 0.00 0.00 175.55 173.79 2jng n GLU 35 N 4.98 0.00 0.20 4.97 1.02 -1.26 -1.60 120.64 128.95 2jng n GLU 35 Ca 0.01 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.24 2jng n GLU 35 Cb 0.44 0.00 0.28 0.00 -0.02 0.00 0.00 31.44 32.15 2jng n GLU 35 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2jng h GLU 36 N 0.00 0.00 -6.11 3.49 4.39 -2.02 -3.44 114.58 110.89 2jng h GLU 36 Ca 0.00 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.11 2jng h GLU 36 Cb 0.00 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 2jng h GLU 36 CO 0.00 0.24 -0.30 0.42 -1.16 0.00 0.00 179.01 178.22 2jng s ILE 37 N -3.35 5.16 0.31 3.13 -1.09 -0.63 -5.03 121.20 119.70 2jng s ILE 37 Ca 0.03 0.21 0.08 0.00 -2.23 0.00 0.00 60.65 58.74 2jng s ILE 37 Cb 0.08 -3.62 -0.06 0.00 -1.58 0.00 0.00 42.46 37.28 2jng s ILE 37 CO 0.67 0.18 -0.08 -0.94 -1.23 0.00 0.00 174.94 173.55 2jng s SER 38 N -2.07 3.23 0.18 3.58 1.04 -1.26 -0.31 113.70 118.10 2jng s SER 38 Ca 0.36 -1.20 -0.30 0.00 0.48 0.00 0.00 55.95 55.29 2jng s SER 38 Cb -0.13 -0.25 -0.09 0.00 0.10 0.00 0.00 66.02 65.65 2jng s SER 38 CO 0.21 -0.28 1.37 0.00 0.98 0.00 0.00 173.24 175.52 2jng s ALA 39 N -2.82 3.57 0.00 5.32 0.00 -1.16 -2.36 121.76 124.32 2jng s ALA 39 Ca 0.31 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.44 2jng s ALA 39 Cb 0.03 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2jng s ALA 39 CO 0.14 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.70 2jng n GLY 40 N 2.69 1.80 3.76 0.00 0.00 0.68 -4.97 105.19 109.16 2jng n GLY 40 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.52 5.56 0.06 1.61 -1.08 -0.99 -4.75 116.67 115.56 2jng s ASP 41 Ca 0.00 2.73 0.07 0.00 -0.52 0.00 0.00 52.55 54.83 2jng s ASP 41 Cb 0.00 -2.64 -0.03 0.00 -1.46 0.00 0.00 42.92 38.80 2jng s ASP 41 CO 0.00 -1.37 -0.20 -1.61 0.52 0.00 0.00 175.17 172.52 2jng s GLU 42 N -2.75 1.24 0.30 4.34 2.02 -1.26 -0.05 118.70 122.54 2jng s GLU 42 Ca 0.68 -0.97 -0.06 0.00 0.02 0.00 0.00 54.97 54.64 2jng s GLU 42 Cb -0.39 -1.37 0.02 0.00 0.10 0.00 0.00 34.13 32.49 2jng s GLU 42 CO 0.48 0.34 0.51 0.41 0.02 0.00 0.00 175.26 177.02 2jng n GLY 43 N 1.66 1.81 3.42 -1.39 0.00 -0.50 -1.04 105.19 109.14 2jng n GLY 43 Ca -0.18 -1.42 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.41 2.28 -0.20 1.61 2.12 0.97 0.11 118.70 123.18 2jng s GLU 44 Ca 0.19 -0.83 -0.17 0.00 0.36 0.00 0.00 54.97 54.52 2jng s GLU 44 Cb -0.02 -2.22 -0.04 0.00 0.26 0.00 0.00 34.13 32.11 2jng s GLU 44 CO 0.14 0.59 0.46 0.12 -0.54 0.00 0.00 175.26 176.02 2jng s PHE 45 N -0.73 3.37 -0.05 5.30 5.36 -0.17 -0.30 117.98 130.77 2jng s PHE 45 Ca 0.12 0.69 -0.01 0.00 -0.96 0.00 0.00 56.93 56.77 2jng s PHE 45 Cb -0.10 -2.60 -0.03 0.00 -0.34 0.00 0.00 43.02 39.95 2jng s PHE 45 CO 0.01 -0.06 -0.05 0.54 -1.46 0.00 0.00 175.22 174.20 2jng n ARG 46 N 4.64 0.11 -3.86 10.12 1.74 -1.17 0.06 116.66 128.31 2jng n ARG 46 Ca -0.07 0.03 -0.11 0.00 -0.77 0.00 0.00 57.85 56.93 2jng n ARG 46 Cb 0.51 -0.95 -0.10 0.00 -1.02 0.00 0.00 32.46 30.90 2jng n ARG 46 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2jng s GLN 47 N -2.09 0.47 0.05 5.56 0.74 -1.20 -4.65 119.66 118.54 2jng s GLN 47 Ca -0.06 -0.32 0.05 0.00 0.05 0.00 0.00 55.36 55.08 2jng s GLN 47 Cb 0.02 0.20 -0.02 0.00 1.10 0.00 0.00 33.01 34.30 2jng s GLN 47 CO 0.10 -0.11 -0.14 -1.54 -0.55 0.00 0.00 175.29 173.05 2jng s SER 48 N -1.22 1.60 -0.41 6.67 1.04 -1.26 -2.07 113.70 118.04 2jng s SER 48 Ca -0.13 -0.49 -0.09 0.00 0.48 0.00 0.00 55.95 55.71 2jng s SER 48 Cb -0.07 -0.08 0.07 0.00 0.10 0.00 0.00 66.02 66.04 2jng s SER 48 CO 0.02 -0.00 0.25 0.20 0.98 0.00 0.00 173.24 174.68 2jng s ASN 49 N -1.28 5.65 0.00 7.02 0.02 -1.26 -4.86 114.94 120.23 2jng s ASN 49 Ca 0.00 -1.44 0.00 0.00 -1.02 0.00 0.00 52.86 50.40 2jng s ASN 49 Cb -0.08 -1.99 0.00 0.00 0.02 0.00 0.00 41.25 39.20 2jng s ASN 49 CO 0.01 -0.52 0.00 0.59 0.02 0.00 0.00 177.10 177.20 2jng n ASN 50 N 4.93 0.00 0.00 -1.22 4.13 -1.26 -2.27 115.26 119.56 2jng n ASN 50 Ca -0.10 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.16 2jng n ASN 50 Cb 0.43 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.67 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 0.00 3.61 7.41 0.00 -1.26 -5.17 105.19 109.77 2jng n GLY 51 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 2.76 0.20 1.61 -7.23 -0.96 -5.06 120.40 111.72 2jng s VAL 52 Ca 0.00 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.03 2jng s VAL 52 Cb 0.00 -2.73 0.14 0.00 0.56 0.00 0.00 36.38 34.35 2jng s VAL 52 CO 0.00 -0.26 1.71 -0.65 -0.31 0.00 0.00 175.10 175.59 2jng h PRO 53 N 1.89 0.25 -6.75 4.82 0.11 -1.93 -3.42 132.00 126.97 2jng h PRO 53 Ca -0.43 -0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.14 2jng h PRO 53 Cb 1.25 -0.06 0.06 0.00 0.11 0.00 0.00 31.00 32.36 2jng h PRO 53 CO 0.65 0.16 0.76 -1.25 -0.21 0.00 0.00 178.00 178.11 2jng s PRO 54 N -6.12 4.27 -0.01 1.05 0.04 -1.25 -3.14 135.00 129.84 2jng s PRO 54 Ca -0.13 2.31 0.04 0.00 0.04 0.00 0.00 61.00 63.25 2jng s PRO 54 Cb 0.17 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.59 2jng s PRO 54 CO 0.73 -0.42 -0.13 0.54 0.04 0.00 0.00 177.00 177.77 2jng s VAL 55 N -0.04 0.99 -0.45 -0.36 0.11 0.48 -4.47 120.40 116.66 2jng s VAL 55 Ca 0.59 -0.54 -0.20 0.00 -2.93 0.00 0.00 61.98 58.91 2jng s VAL 55 Cb -0.42 -0.83 0.03 0.00 -1.53 0.00 0.00 36.38 33.63 2jng s VAL 55 CO 0.44 0.28 0.59 -1.58 -3.33 0.00 0.00 175.10 171.50 2jng s GLN 56 N -0.30 3.20 -0.05 1.54 2.00 -0.88 -0.79 119.66 124.38 2jng s GLN 56 Ca 0.05 -0.57 0.04 0.00 -2.00 0.00 0.00 55.36 52.88 2jng s GLN 56 Cb -0.05 -3.99 -0.00 0.00 0.80 0.00 0.00 33.01 29.77 2jng s GLN 56 CO -0.00 -1.02 -0.18 0.08 -0.50 0.00 0.00 175.29 173.66 2jng s VAL 57 N 2.62 1.55 -0.57 1.34 1.01 -0.51 -3.03 120.40 122.81 2jng s VAL 57 Ca 0.18 -0.77 -0.22 0.00 0.00 0.00 0.00 61.98 61.17 2jng s VAL 57 Cb -0.16 -1.33 0.05 0.00 0.00 0.00 0.00 36.38 34.95 2jng s VAL 57 CO 0.16 0.44 0.87 0.12 0.00 0.00 0.00 175.10 176.70 2jng s PHE 58 N 0.06 2.82 -0.29 5.22 5.36 0.59 -1.08 117.98 130.65 2jng s PHE 58 Ca -0.05 -0.30 -0.26 0.00 -0.96 0.00 0.00 56.93 55.35 2jng s PHE 58 Cb -0.12 -4.02 0.01 0.00 -0.34 0.00 0.00 43.02 38.54 2jng s PHE 58 CO 0.03 -1.37 0.92 -1.58 -1.46 0.00 0.00 175.22 171.77 2jng s TRP 59 N 3.67 3.21 0.25 10.12 0.52 -0.58 -0.02 118.94 136.11 2jng s TRP 59 Ca 0.24 1.06 0.01 0.00 0.02 0.00 0.00 56.10 57.44 2jng s TRP 59 Cb -0.15 -3.37 0.30 0.00 -1.15 0.00 0.00 33.47 29.09 2jng s TRP 59 CO 0.15 -0.61 1.63 0.93 0.02 0.00 0.00 176.95 179.07 2jng h GLU 60 N 7.98 0.45 -0.71 4.98 5.08 -1.39 0.55 114.58 131.52 2jng h GLU 60 Ca -0.22 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 57.84 2jng h GLU 60 Cb 1.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 2jng h GLU 60 CO 0.95 0.78 0.18 0.77 -1.00 0.00 0.00 179.01 180.69 2jng h SER 61 N 0.38 1.08 0.32 1.42 0.02 -1.92 -3.12 113.55 111.72 2jng h SER 61 Ca 0.03 -0.23 -0.33 0.00 -0.84 0.00 0.00 61.79 60.42 2jng h SER 61 Cb 0.87 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 2jng h SER 61 CO 0.07 1.03 -1.76 0.71 -1.14 0.00 0.00 176.83 175.75 2jng h THR 62 N 1.08 0.88 0.00 -2.27 1.35 -1.87 -3.49 112.91 108.59 2jng h THR 62 Ca 0.22 -2.58 0.00 0.00 -0.55 0.00 0.00 66.41 63.50 2jng h THR 62 Cb 0.37 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 2jng h THR 62 CO 0.00 0.78 0.00 0.61 -0.25 0.00 0.00 175.52 176.67 2jng n GLY 63 N 1.78 0.88 3.33 5.82 0.00 0.19 -5.06 105.19 112.12 2jng n GLY 63 Ca -0.23 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 2jng n GLY 63 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jng s ARG 64 N -2.15 1.14 0.16 1.61 1.70 -1.15 -4.98 118.95 115.28 2jng s ARG 64 Ca 0.00 -1.18 -0.21 0.00 -0.47 0.00 0.00 55.73 53.87 2jng s ARG 64 Cb 0.00 0.37 -0.08 0.00 -0.57 0.00 0.00 34.95 34.67 2jng s ARG 64 CO 0.00 -0.41 0.70 0.95 -1.08 0.00 0.00 175.30 175.45 2jng s THR 65 N -3.97 4.55 -0.05 4.99 -4.23 -1.26 -1.52 115.64 114.15 2jng s THR 65 Ca 0.17 1.39 -0.09 0.00 -1.18 0.00 0.00 61.69 61.98 2jng s THR 65 Cb 0.04 -3.96 0.02 0.00 1.34 0.00 0.00 72.50 69.94 2jng s THR 65 CO -0.00 0.40 0.21 -0.47 -0.54 0.00 0.00 174.62 174.22 2jng s TYR 66 N -1.30 -0.17 -0.33 3.99 5.04 -0.24 -4.96 117.35 119.39 2jng s TYR 66 Ca 0.37 0.38 -0.18 0.00 -2.44 0.00 0.00 57.07 55.20 2jng s TYR 66 Cb -0.19 0.05 -0.01 0.00 0.35 0.00 0.00 41.96 42.16 2jng s TYR 66 CO 0.22 -0.19 0.50 -1.58 -1.34 0.00 0.00 175.55 173.16 2jng s TRP 67 N -0.44 3.20 0.47 4.97 0.51 -1.25 -1.42 118.94 124.98 2jng s TRP 67 Ca -0.05 0.27 0.02 0.00 -2.12 0.00 0.00 56.10 54.22 2jng s TRP 67 Cb -0.04 -2.86 0.02 0.00 -0.81 0.00 0.00 33.47 29.78 2jng s TRP 67 CO 0.01 -0.47 0.18 0.28 -0.51 0.00 0.00 176.95 176.44 2jng n VAL 68 N 5.36 0.00 -4.49 4.03 0.31 0.03 -4.75 118.33 118.82 2jng n VAL 68 Ca -0.05 -2.02 -0.34 0.00 -0.01 0.00 0.00 64.34 61.92 2jng n VAL 68 Cb 0.49 0.17 -0.11 0.00 -0.91 0.00 0.00 33.84 33.48 2jng n VAL 68 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2jng s HIS 69 N -2.51 3.02 0.26 3.52 0.09 -1.26 -0.39 115.29 118.02 2jng s HIS 69 Ca 0.14 -0.07 -0.02 0.00 -0.00 0.00 0.00 55.06 55.11 2jng s HIS 69 Cb -0.01 -1.82 0.51 0.00 -0.00 0.00 0.00 32.58 31.26 2jng s HIS 69 CO 0.09 0.22 1.75 -1.49 -0.00 0.00 0.00 174.74 175.31 2jng h TRP 70 N 5.79 0.70 0.00 1.40 4.06 -1.89 -2.54 115.95 123.47 2jng h TRP 70 Ca -0.42 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.56 2jng h TRP 70 Cb 1.18 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 29.16 2jng h TRP 70 CO 0.57 0.15 0.00 -2.39 -3.56 0.00 0.00 178.44 173.21 2jng n HIS 71 N -4.90 0.00 -0.13 0.49 1.44 -1.26 -0.90 115.22 109.96 2jng n HIS 71 Ca 0.16 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.92 2jng n HIS 71 Cb 0.43 -0.25 0.14 0.00 0.12 0.00 0.00 29.99 30.43 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 -1.25 2.75 -5.15 -1.40 0.00 -0.96 -4.97 117.12 106.14 2jng n MET 72 Ca 0.09 -1.97 -0.32 0.00 0.00 0.00 0.00 57.70 55.51 2jng n MET 72 Cb 0.13 -1.25 -0.16 0.00 0.00 0.00 0.00 33.22 31.95 2jng n MET 72 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 2jng s LEU 73 N -0.99 2.25 -0.01 3.17 2.96 -0.07 -1.70 118.68 124.28 2jng s LEU 73 Ca 0.21 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 2jng s LEU 73 Cb 0.11 -1.43 -0.03 0.00 0.50 0.00 0.00 46.19 45.34 2jng s LEU 73 CO 0.15 0.25 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.64 2jng s GLU 74 N -0.20 2.54 -0.23 1.98 2.12 -0.06 -4.97 118.70 119.87 2jng s GLU 74 Ca -0.02 -0.71 -0.12 0.00 0.36 0.00 0.00 54.97 54.48 2jng s GLU 74 Cb -0.13 -2.47 -0.05 0.00 0.26 0.00 0.00 34.13 31.74 2jng s GLU 74 CO 0.03 0.61 0.23 -1.50 -0.54 0.00 0.00 175.26 174.10 2jng s ILE 75 N -0.92 5.31 -0.15 -3.70 2.07 -1.26 -0.73 121.20 121.81 2jng s ILE 75 Ca 0.15 0.34 0.04 0.00 -1.41 0.00 0.00 60.65 59.77 2jng s ILE 75 Cb -0.11 -3.57 -0.12 0.00 0.13 0.00 0.00 42.46 38.79 2jng s ILE 75 CO 0.05 0.31 -0.09 0.18 -1.91 0.00 0.00 174.94 173.48 2jng n LEU 76 N 4.41 2.13 0.00 8.50 4.32 -0.40 -4.97 117.00 131.00 2jng n LEU 76 Ca -0.13 -0.06 0.00 0.00 -0.02 0.00 0.00 56.01 55.80 2jng n LEU 76 Cb 0.52 -0.32 0.00 0.00 -1.62 0.00 0.00 43.42 42.00 2jng n LEU 76 CO 0.36 0.64 0.00 0.61 -1.22 0.00 0.00 177.39 177.79 2jng n GLY 77 N 2.58 -0.60 2.57 -0.72 0.00 -0.70 -4.69 105.19 103.63 2jng n GLY 77 Ca -0.26 -1.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 2jng n GLY 77 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jng s PHE 78 N 0.00 0.96 -0.19 1.61 -0.71 -1.26 -1.06 117.98 117.32 2jng s PHE 78 Ca 0.00 -1.52 -0.15 0.00 -1.04 0.00 0.00 56.93 54.22 2jng s PHE 78 Cb 0.00 -1.20 -0.08 0.00 -1.21 0.00 0.00 43.02 40.53 2jng s PHE 78 CO 0.00 -0.83 -0.22 0.39 -1.34 0.00 0.00 175.22 173.22 2jng n GLU 79 N 4.51 0.52 0.00 1.99 1.02 -1.26 -5.10 120.64 122.32 2jng n GLU 79 Ca 0.03 0.37 0.02 0.00 -0.02 0.00 0.00 57.16 57.56 2jng n GLU 79 Cb 0.39 -1.56 0.02 0.00 -0.02 0.00 0.00 31.44 30.27 2jng n GLU 79 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40