#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 0.11 0.00 3.17 2.43 -1.98 -1.01 114.38 117.10 2jng h ARG 5 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2jng h ARG 5 Cb 0.00 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2jng h ARG 5 CO 0.00 0.07 0.00 0.43 -1.51 0.00 0.00 179.97 178.96 2jng n SER 6 N -4.43 0.00 0.26 -3.80 7.64 -1.26 -3.40 113.62 108.63 2jng n SER 6 Ca 0.34 -1.28 0.10 0.00 1.01 0.00 0.00 58.87 59.04 2jng n SER 6 Cb 1.40 0.00 0.70 0.00 -1.01 0.00 0.00 64.21 65.29 2jng n SER 6 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2jng h GLU 7 N 0.00 0.00 -7.68 1.43 4.39 -1.59 -3.44 114.58 107.70 2jng h GLU 7 Ca 0.00 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.25 2jng h GLU 7 Cb 0.00 0.00 0.15 0.00 -0.10 0.00 0.00 28.75 28.80 2jng h GLU 7 CO 0.00 0.08 0.36 -0.06 -1.16 0.00 0.00 179.01 178.23 2jng s PHE 8 N -4.62 1.48 0.16 4.33 0.08 -1.22 -4.97 117.98 113.23 2jng s PHE 8 Ca -0.04 0.15 -0.15 0.00 0.12 0.00 0.00 56.93 57.00 2jng s PHE 8 Cb 0.15 -3.91 0.07 0.00 -0.57 0.00 0.00 43.02 38.77 2jng s PHE 8 CO 0.62 -2.51 1.77 0.00 -0.10 0.00 0.00 175.22 175.00 2jng h ALA 9 N -1.44 0.48 0.00 5.36 0.00 -1.92 -3.29 119.26 118.46 2jng h ALA 9 Ca -0.42 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2jng h ALA 9 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jng h ALA 9 CO 0.36 -0.20 0.00 0.45 0.00 0.00 0.00 179.25 179.87 2jng n SER 10 N -4.96 0.49 0.00 0.00 2.88 -1.26 -4.98 113.62 105.79 2jng n SER 10 Ca 0.02 -1.06 0.00 0.00 -1.33 0.00 0.00 58.87 56.50 2jng n SER 10 Cb 0.12 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 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 -0.03 0.40 0.13 0.46 0.00 -1.24 -4.91 105.19 100.00 2jng n GLY 11 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 0.10 1.61 2.35 -1.90 -2.96 115.58 114.78 2jng h ASN 12 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2jng h ASN 12 Cb 0.22 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 2jng h ASN 12 CO 0.00 0.63 -0.06 0.74 -1.65 0.00 0.00 177.43 177.09 2jng h THR 13 N 0.00 0.80 -0.76 2.81 2.02 -1.93 -0.06 112.91 115.78 2jng h THR 13 Ca -0.01 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2jng h THR 13 Cb 1.37 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 68.88 2jng h THR 13 CO 0.08 0.06 0.45 0.22 0.37 0.00 0.00 175.52 176.71 2jng h TYR 14 N 0.00 1.00 0.00 3.16 3.20 -1.86 -1.51 116.97 120.96 2jng h TYR 14 Ca -0.00 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 2jng h TYR 14 Cb 0.13 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.07 2jng h TYR 14 CO 0.00 0.67 -0.16 0.00 -1.64 0.00 0.00 178.16 177.03 2jng h ALA 15 N 1.45 1.74 -0.17 1.82 0.00 -1.13 -0.95 119.26 122.03 2jng h ALA 15 Ca 0.27 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2jng h ALA 15 Cb -0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2jng h ALA 15 CO -0.05 0.20 -0.26 1.25 0.00 0.00 0.00 179.25 180.38 2jng h LEU 16 N 0.00 0.52 0.28 0.00 5.85 -1.17 -1.33 115.31 119.46 2jng h LEU 16 Ca -0.00 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.18 2jng h LEU 16 Cb 0.28 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2jng h LEU 16 CO 0.02 0.94 -0.13 0.22 -0.34 0.00 0.00 178.44 179.15 2jng h TYR 17 N 0.11 -0.34 -0.43 1.25 3.20 -1.18 -3.13 116.97 116.45 2jng h TYR 17 Ca 0.01 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 2jng h TYR 17 Cb 0.84 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 2jng h TYR 17 CO 0.09 -0.06 0.18 -0.39 -1.64 0.00 0.00 178.16 176.34 2jng h VAL 18 N -0.61 1.19 -0.05 1.81 -1.51 -1.22 -1.84 116.25 114.03 2jng h VAL 18 Ca -0.04 -0.58 0.01 0.00 -1.23 0.00 0.00 66.70 64.87 2jng h VAL 18 Cb 0.44 0.78 -0.00 0.00 -2.13 0.00 0.00 31.29 30.37 2jng h VAL 18 CO 0.06 0.21 0.05 0.08 -1.23 0.00 0.00 177.57 176.75 2jng h ARG 19 N 0.55 0.00 0.10 5.19 0.11 -1.31 0.70 114.38 119.71 2jng h ARG 19 Ca 0.14 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.94 2jng h ARG 19 Cb 0.16 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.23 2jng h ARG 19 CO -0.01 0.00 -1.51 0.22 0.10 0.00 0.00 179.97 178.76 2jng h ASP 20 N 0.00 0.32 1.31 0.08 3.58 -1.35 -3.38 116.42 116.98 2jng h ASP 20 Ca 0.02 -0.82 -0.11 0.00 0.42 0.00 0.00 57.03 56.55 2jng h ASP 20 Cb 0.13 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 2jng h ASP 20 CO -0.00 1.65 -0.72 0.74 -2.88 0.00 0.00 179.24 178.04 2jng h THR 21 N -0.34 0.67 -1.33 2.25 2.02 -1.06 -3.43 112.91 111.70 2jng h THR 21 Ca -0.34 -2.02 -0.41 0.00 0.77 0.00 0.00 66.41 64.42 2jng h THR 21 Cb 1.74 2.25 -0.05 0.00 -1.74 0.00 0.00 68.15 70.36 2jng h THR 21 CO 0.02 0.38 1.05 -0.22 0.37 0.00 0.00 175.52 177.12 2jng s LEU 22 N -6.22 3.24 0.46 2.58 2.96 0.21 -4.96 118.68 116.95 2jng s LEU 22 Ca 0.02 -0.31 -0.18 0.00 -0.22 0.00 0.00 54.13 53.45 2jng s LEU 22 Cb 0.08 -2.55 -0.09 0.00 0.50 0.00 0.00 46.19 44.13 2jng s LEU 22 CO 0.76 -2.47 0.94 -1.10 -1.32 0.00 0.00 176.35 173.16 2jng s GLN 23 N 6.83 4.06 -0.24 1.98 -0.21 -1.26 -4.96 119.66 125.86 2jng s GLN 23 Ca 0.66 0.98 -0.31 0.00 0.02 0.00 0.00 55.36 56.71 2jng s GLN 23 Cb -0.09 -2.19 -0.07 0.00 1.00 0.00 0.00 33.01 31.66 2jng s GLN 23 CO 0.08 -0.13 2.19 -2.30 -2.12 0.00 0.00 175.29 173.01 2jng n PRO 24 N -1.10 1.74 0.00 2.91 -0.02 -1.26 -0.89 135.00 136.37 2jng n PRO 24 Ca 0.06 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2jng n PRO 24 Cb 0.54 -2.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.05 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 5.89 0.98 3.73 -1.23 0.00 0.13 -5.01 105.19 109.67 2jng n GLY 25 Ca 0.33 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.34 4.59 0.49 1.61 0.00 -0.07 -4.66 119.30 120.91 2jng s MET 26 Ca 0.00 1.68 -0.20 0.00 0.00 0.00 0.00 55.69 57.16 2jng s MET 26 Cb 0.00 -3.30 -0.08 0.00 0.00 0.00 0.00 34.83 31.44 2jng s MET 26 CO 0.00 0.05 1.04 0.50 0.00 0.00 0.00 175.02 176.61 2jng s ARG 27 N -0.11 3.80 0.10 4.11 3.52 -1.26 -1.30 118.95 127.79 2jng s ARG 27 Ca 0.50 1.36 0.03 0.00 -0.13 0.00 0.00 55.73 57.49 2jng s ARG 27 Cb -0.28 -2.09 -0.04 0.00 -1.56 0.00 0.00 34.95 30.98 2jng s ARG 27 CO 0.33 -0.44 -0.08 0.14 -0.81 0.00 0.00 175.30 174.44 2jng s VAL 28 N -1.98 0.82 0.03 7.11 -7.23 0.12 -2.46 120.40 116.81 2jng s VAL 28 Ca 0.67 -1.76 0.06 0.00 -1.81 0.00 0.00 61.98 59.15 2jng s VAL 28 Cb -0.16 -1.47 -0.02 0.00 0.56 0.00 0.00 36.38 35.28 2jng s VAL 28 CO 0.20 -0.70 -0.18 -0.60 -0.31 0.00 0.00 175.10 173.51 2jng s ARG 29 N -3.22 1.27 0.13 4.82 3.52 0.11 -0.72 118.95 124.87 2jng s ARG 29 Ca 0.08 -0.80 -0.21 0.00 -0.13 0.00 0.00 55.73 54.67 2jng s ARG 29 Cb 0.01 -1.31 -0.07 0.00 -1.56 0.00 0.00 34.95 32.01 2jng s ARG 29 CO -0.02 0.34 0.66 1.41 -0.81 0.00 0.00 175.30 176.88 2jng s MET 30 N -0.96 4.31 -0.21 5.12 -2.45 0.58 -0.72 119.30 124.98 2jng s MET 30 Ca 0.06 0.88 -0.08 0.00 -1.25 0.00 0.00 55.69 55.30 2jng s MET 30 Cb -0.08 -3.17 -0.19 0.00 1.25 0.00 0.00 34.83 32.64 2jng s MET 30 CO 0.01 0.57 0.02 1.28 1.05 0.00 0.00 175.02 177.95 2jng n LEU 31 N 1.45 2.48 -4.14 4.11 4.32 -1.26 -2.01 117.00 121.95 2jng n LEU 31 Ca -0.07 0.16 -0.12 0.00 -0.02 0.00 0.00 56.01 55.96 2jng n LEU 31 Cb 0.50 -0.97 -0.11 0.00 -1.62 0.00 0.00 43.42 41.22 2jng n LEU 31 CO 0.43 0.73 -0.40 1.51 -1.22 0.00 0.00 177.39 178.44 2jng s ASP 32 N -6.94 1.16 0.17 -1.43 -4.77 -1.26 -4.60 116.67 99.01 2jng s ASP 32 Ca -0.30 -0.82 -0.30 0.00 -3.30 0.00 0.00 52.55 47.83 2jng s ASP 32 Cb 0.09 0.05 -0.08 0.00 -1.09 0.00 0.00 42.92 41.89 2jng s ASP 32 CO 0.63 -0.33 1.15 -1.81 0.70 0.00 0.00 175.17 175.51 2jng s ASP 33 N -2.45 7.18 -0.30 2.11 1.01 -1.26 -4.05 116.67 118.91 2jng s ASP 33 Ca 0.04 2.14 0.04 0.00 0.71 0.00 0.00 52.55 55.48 2jng s ASP 33 Cb -0.02 -2.60 0.18 0.00 1.01 0.00 0.00 42.92 41.49 2jng s ASP 33 CO -0.02 -0.30 0.49 -0.47 0.21 0.00 0.00 175.17 175.09 2jng s TYR 34 N -0.07 -1.37 0.00 4.23 5.04 0.13 -4.93 117.35 120.38 2jng s TYR 34 Ca 0.51 0.56 0.00 0.00 -2.44 0.00 0.00 57.07 55.70 2jng s TYR 34 Cb -0.31 0.05 0.00 0.00 0.35 0.00 0.00 41.96 42.05 2jng s TYR 34 CO 0.35 -1.04 0.00 -1.91 -1.34 0.00 0.00 175.55 171.61 2jng n GLU 35 N 5.26 0.00 0.00 4.97 2.13 -1.26 -2.04 120.64 129.70 2jng n GLU 35 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 2jng n GLU 35 Cb 0.52 -0.99 0.00 0.00 0.27 0.00 0.00 31.44 31.24 2jng n GLU 35 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2jng n GLU 36 N 0.00 0.00 -3.95 5.31 1.02 -1.26 -5.12 120.64 116.63 2jng n GLU 36 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 2jng n GLU 36 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 2jng n GLU 36 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2jng s ILE 37 N -0.97 5.17 0.21 -3.67 -1.09 -0.87 -5.10 121.20 114.88 2jng s ILE 37 Ca 0.00 -0.49 0.11 0.00 -2.23 0.00 0.00 60.65 58.04 2jng s ILE 37 Cb 0.00 -3.52 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 2jng s ILE 37 CO 0.00 0.13 -0.17 -0.55 -1.23 0.00 0.00 174.94 173.12 2jng s SER 38 N -2.49 3.78 0.10 3.58 0.15 -1.26 0.19 113.70 117.75 2jng s SER 38 Ca 0.34 -0.80 -0.31 0.00 0.70 0.00 0.00 55.95 55.88 2jng s SER 38 Cb -0.13 -0.44 -0.10 0.00 -1.71 0.00 0.00 66.02 63.65 2jng s SER 38 CO 0.26 0.09 1.88 0.00 1.20 0.00 0.00 173.24 176.67 2jng s ALA 39 N -1.89 3.71 0.00 5.45 0.00 -1.26 -1.53 121.76 126.25 2jng s ALA 39 Ca 0.24 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.62 2jng s ALA 39 Cb -0.07 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.25 2jng s ALA 39 CO 0.13 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 174.97 2jng n GLY 40 N 4.33 1.35 3.76 0.00 0.00 -0.85 -4.96 105.19 108.82 2jng n GLY 40 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 2jng n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jng s ASP 41 N -1.73 5.31 0.08 1.61 1.01 -0.58 -4.78 116.67 117.57 2jng s ASP 41 Ca 0.00 2.34 0.06 0.00 0.71 0.00 0.00 52.55 55.66 2jng s ASP 41 Cb 0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 2jng s ASP 41 CO 0.00 -1.51 -0.15 -1.61 0.21 0.00 0.00 175.17 172.10 2jng s GLU 42 N -3.32 0.88 0.07 8.23 2.02 -1.26 -0.30 118.70 125.01 2jng s GLU 42 Ca 0.76 -1.00 -0.02 0.00 0.02 0.00 0.00 54.97 54.73 2jng s GLU 42 Cb -0.29 -0.93 0.01 0.00 0.10 0.00 0.00 34.13 33.02 2jng s GLU 42 CO 0.32 0.21 0.14 0.41 0.02 0.00 0.00 175.26 176.35 2jng n GLY 43 N 1.23 2.00 3.26 -1.39 0.00 0.11 -1.34 105.19 109.05 2jng n GLY 43 Ca -0.21 -1.12 -0.22 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.04 1.05 -0.29 1.61 2.12 0.18 0.13 118.70 121.46 2jng s GLU 44 Ca 0.03 -1.13 -0.16 0.00 0.36 0.00 0.00 54.97 54.07 2jng s GLU 44 Cb -0.01 -1.21 -0.03 0.00 0.26 0.00 0.00 34.13 33.14 2jng s GLU 44 CO 0.02 0.27 0.41 0.12 -0.54 0.00 0.00 175.26 175.55 2jng s PHE 45 N -1.32 3.23 -0.15 5.30 5.36 -0.42 -1.04 117.98 128.94 2jng s PHE 45 Ca 0.05 0.36 -0.09 0.00 -0.96 0.00 0.00 56.93 56.29 2jng s PHE 45 Cb -0.09 -2.66 -0.07 0.00 -0.34 0.00 0.00 43.02 39.86 2jng s PHE 45 CO 0.04 -0.31 -0.22 0.54 -1.46 0.00 0.00 175.22 173.81 2jng n ARG 46 N 5.43 0.35 -3.54 10.12 1.74 -1.24 0.17 116.66 129.69 2jng n ARG 46 Ca -0.07 0.15 -0.17 0.00 -0.77 0.00 0.00 57.85 56.99 2jng n ARG 46 Cb 0.50 -1.09 -0.06 0.00 -1.02 0.00 0.00 32.46 30.79 2jng n ARG 46 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2jng s GLN 47 N -2.35 1.01 0.13 5.56 -2.07 -1.24 -4.78 119.66 115.92 2jng s GLN 47 Ca -0.22 0.37 -0.09 0.00 -1.82 0.00 0.00 55.36 53.60 2jng s GLN 47 Cb 0.08 0.48 0.03 0.00 -1.09 0.00 0.00 33.01 32.51 2jng s GLN 47 CO 0.29 -0.29 0.46 0.43 -1.32 0.00 0.00 175.29 174.86 2jng n SER 48 N 1.21 -0.96 -4.13 12.60 7.64 -1.26 -2.06 113.62 126.66 2jng n SER 48 Ca -0.18 -1.57 -0.28 0.00 1.01 0.00 0.00 58.87 57.85 2jng n SER 48 Cb 0.57 1.57 -0.17 0.00 -1.01 0.00 0.00 64.21 65.17 2jng n SER 48 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2jng s ASN 49 N -2.12 2.38 -0.06 6.43 0.02 -1.17 -4.98 114.94 115.44 2jng s ASN 49 Ca 0.10 -0.41 -0.02 0.00 -1.02 0.00 0.00 52.86 51.51 2jng s ASN 49 Cb -0.02 -0.93 -0.01 0.00 0.02 0.00 0.00 41.25 40.31 2jng s ASN 49 CO 0.04 0.12 0.12 -1.13 0.02 0.00 0.00 177.10 176.27 2jng h ASN 50 N 6.61 -0.07 -0.52 -1.22 -1.24 -1.97 -3.38 115.58 113.79 2jng h ASN 50 Ca -0.28 0.00 0.09 0.00 0.71 0.00 0.00 56.30 56.82 2jng h ASN 50 Cb 1.20 0.02 -0.10 0.00 0.73 0.00 0.00 38.32 40.16 2jng h ASN 50 CO 0.47 0.28 -0.40 1.23 -1.29 0.00 0.00 177.43 177.72 2jng h GLY 51 N -0.74 -0.39 -4.17 1.57 0.00 -1.99 -3.42 103.07 93.93 2jng h GLY 51 Ca -0.01 0.52 -0.57 0.00 0.00 0.00 0.00 47.33 47.27 2jng h GLY 51 CO 0.01 -0.18 -0.16 -1.34 0.00 0.00 0.00 176.54 174.87 2jng s VAL 52 N -5.89 4.98 0.32 4.60 -7.23 -1.26 -5.02 120.40 110.90 2jng s VAL 52 Ca -0.14 0.56 0.05 0.00 -1.81 0.00 0.00 61.98 60.64 2jng s VAL 52 Cb 0.13 -3.67 0.30 0.00 0.56 0.00 0.00 36.38 33.71 2jng s VAL 52 CO 0.67 0.17 1.85 1.55 -0.31 0.00 0.00 175.10 179.03 2jng h PRO 53 N 3.33 0.81 -6.10 4.82 0.13 -1.82 -3.42 132.00 129.75 2jng h PRO 53 Ca -0.48 -0.05 -0.64 0.00 -0.87 0.00 0.00 66.00 63.96 2jng h PRO 53 Cb 1.19 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2jng h PRO 53 CO 0.67 0.54 1.29 -0.35 -0.23 0.00 0.00 178.00 179.92 2jng n PRO 54 N -4.59 1.64 -4.91 1.56 -0.04 -1.26 -3.27 135.00 124.13 2jng n PRO 54 Ca 0.18 0.53 -0.32 0.00 -0.04 0.00 0.00 63.50 63.84 2jng n PRO 54 Cb 0.42 -2.65 -0.16 0.00 -0.04 0.00 0.00 33.50 31.06 2jng n PRO 54 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jng s VAL 55 N 6.13 2.24 -0.38 0.52 0.11 -0.53 -3.02 120.40 125.47 2jng s VAL 55 Ca 1.01 -0.94 -0.19 0.00 -2.93 0.00 0.00 61.98 58.94 2jng s VAL 55 Cb -0.71 -1.89 0.01 0.00 -1.53 0.00 0.00 36.38 32.26 2jng s VAL 55 CO 0.48 0.55 0.56 -1.58 -3.33 0.00 0.00 175.10 171.78 2jng s GLN 56 N 0.55 3.47 -0.08 1.54 0.74 -0.88 0.20 119.66 125.21 2jng s GLN 56 Ca -0.13 -0.26 0.04 0.00 0.05 0.00 0.00 55.36 55.06 2jng s GLN 56 Cb -0.17 -3.87 -0.00 0.00 1.10 0.00 0.00 33.01 30.08 2jng s GLN 56 CO 0.04 -0.78 -0.23 0.08 -0.55 0.00 0.00 175.29 173.85 2jng s VAL 57 N 2.52 1.93 -0.38 1.34 1.01 0.84 -3.59 120.40 124.07 2jng s VAL 57 Ca 0.20 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 2jng s VAL 57 Cb -0.15 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.58 2jng s VAL 57 CO 0.15 0.53 0.74 0.12 0.00 0.00 0.00 175.10 176.64 2jng s PHE 58 N 0.23 3.10 -0.41 5.22 5.36 -0.21 -0.75 117.98 130.51 2jng s PHE 58 Ca -0.14 0.40 -0.21 0.00 -0.96 0.00 0.00 56.93 56.02 2jng s PHE 58 Cb -0.16 -3.39 0.02 0.00 -0.34 0.00 0.00 43.02 39.15 2jng s PHE 58 CO 0.07 -0.76 0.66 -1.58 -1.46 0.00 0.00 175.22 172.15 2jng s TRP 59 N 3.03 3.08 -0.13 10.12 0.52 -0.55 0.47 118.94 135.49 2jng s TRP 59 Ca 0.29 0.10 0.15 0.00 0.02 0.00 0.00 56.10 56.67 2jng s TRP 59 Cb -0.13 -3.33 -0.04 0.00 -1.15 0.00 0.00 33.47 28.82 2jng s TRP 59 CO 0.18 -0.81 1.17 1.05 0.02 0.00 0.00 176.95 178.56 2jng h GLU 60 N 8.76 0.00 -0.15 4.98 4.11 -1.50 0.70 114.58 131.48 2jng h GLU 60 Ca -0.26 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.06 2jng h GLU 60 Cb 1.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2jng h GLU 60 CO 0.88 0.44 -0.42 0.66 0.07 0.00 0.00 179.01 180.64 2jng h SER 61 N 0.00 0.37 0.00 3.06 4.64 -1.84 -3.30 113.55 116.47 2jng h SER 61 Ca -0.07 -0.16 -0.13 0.00 -0.47 0.00 0.00 61.79 60.95 2jng h SER 61 Cb 1.49 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.45 2jng h SER 61 CO 0.06 0.75 -0.95 0.41 -0.87 0.00 0.00 176.83 176.23 2jng n THR 62 N -4.01 1.48 0.00 2.95 -1.04 -1.19 -5.03 114.28 107.44 2jng n THR 62 Ca -0.02 0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 2jng n THR 62 Cb 0.50 -2.19 0.00 0.00 -1.82 0.00 0.00 70.33 66.82 2jng n THR 62 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jng n GLY 63 N 1.51 1.67 3.02 3.41 0.00 0.24 -5.10 105.19 109.94 2jng n GLY 63 Ca -0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.12 0.44 0.26 1.61 1.70 -1.02 -4.98 118.95 116.83 2jng s ARG 64 Ca 0.00 -0.64 -0.20 0.00 -0.47 0.00 0.00 55.73 54.42 2jng s ARG 64 Cb 0.00 -0.17 -0.09 0.00 -0.57 0.00 0.00 34.95 34.13 2jng s ARG 64 CO 0.00 0.02 0.76 0.99 -1.08 0.00 0.00 175.30 175.99 2jng s THR 65 N -1.26 4.55 -0.03 4.99 2.01 -1.26 -1.48 115.64 123.15 2jng s THR 65 Ca -0.11 1.29 -0.12 0.00 0.31 0.00 0.00 61.69 63.06 2jng s THR 65 Cb -0.09 -3.82 0.02 0.00 0.01 0.00 0.00 72.50 68.62 2jng s THR 65 CO -0.00 0.12 0.27 -0.47 -0.69 0.00 0.00 174.62 173.84 2jng s TYR 66 N -1.63 -0.15 -0.33 4.92 5.04 0.07 -4.94 117.35 120.33 2jng s TYR 66 Ca 0.46 0.26 -0.16 0.00 -2.44 0.00 0.00 57.07 55.19 2jng s TYR 66 Cb -0.15 0.06 -0.01 0.00 0.35 0.00 0.00 41.96 42.21 2jng s TYR 66 CO 0.20 -0.32 0.41 -1.58 -1.34 0.00 0.00 175.55 172.92 2jng s TRP 67 N -1.08 3.21 0.44 4.97 0.51 -1.26 -0.11 118.94 125.62 2jng s TRP 67 Ca -0.11 0.12 0.04 0.00 -2.12 0.00 0.00 56.10 54.03 2jng s TRP 67 Cb -0.05 -2.73 0.04 0.00 -0.81 0.00 0.00 33.47 29.92 2jng s TRP 67 CO 0.03 -0.43 0.34 0.28 -0.51 0.00 0.00 176.95 176.66 2jng n VAL 68 N 5.27 0.00 -3.81 4.03 0.31 0.13 -4.81 118.33 119.46 2jng n VAL 68 Ca -0.08 -1.74 -0.36 0.00 -0.01 0.00 0.00 64.34 62.15 2jng n VAL 68 Cb 0.49 -0.14 -0.07 0.00 -0.91 0.00 0.00 33.84 33.22 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 -2.17 3.53 0.26 3.52 3.76 -1.26 -1.45 115.29 121.48 2jng s HIS 69 Ca 0.26 0.48 -0.03 0.00 -0.15 0.00 0.00 55.06 55.62 2jng s HIS 69 Cb -0.02 -2.04 0.53 0.00 1.11 0.00 0.00 32.58 32.16 2jng s HIS 69 CO 0.16 0.57 1.69 -1.49 -0.85 0.00 0.00 174.74 174.83 2jng h TRP 70 N 5.60 0.41 0.00 1.40 4.06 -1.93 -1.85 115.95 123.63 2jng h TRP 70 Ca -0.50 0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.49 2jng h TRP 70 Cb 1.20 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 2jng h TRP 70 CO 0.69 -0.05 0.00 -2.39 -3.56 0.00 0.00 178.44 173.13 2jng n HIS 71 N -5.10 0.00 -1.11 0.49 1.44 -1.26 -2.04 115.22 107.64 2jng n HIS 71 Ca 0.16 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.96 2jng n HIS 71 Cb 0.50 -0.22 0.17 0.00 0.12 0.00 0.00 29.99 30.57 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 -1.22 1.69 -4.45 -1.40 0.00 -0.70 -4.63 117.12 106.41 2jng n MET 72 Ca 0.06 -2.72 -0.34 0.00 0.00 0.00 0.00 57.70 54.71 2jng n MET 72 Cb 0.08 -1.60 -0.11 0.00 0.00 0.00 0.00 33.22 31.60 2jng n MET 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2jng s LEU 73 N -2.91 3.36 -0.13 3.17 1.43 -0.86 -4.16 118.68 118.57 2jng s LEU 73 Ca 0.35 0.00 -0.04 0.00 -1.03 0.00 0.00 54.13 53.42 2jng s LEU 73 Cb 0.31 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 2jng s LEU 73 CO 0.03 0.30 0.00 -0.70 0.23 0.00 0.00 176.35 176.22 2jng s GLU 74 N -0.42 3.44 -0.09 1.70 -6.30 0.10 -4.93 118.70 112.20 2jng s GLU 74 Ca 0.07 -0.43 -0.13 0.00 -2.50 0.00 0.00 54.97 51.98 2jng s GLU 74 Cb -0.12 -2.93 -0.05 0.00 0.00 0.00 0.00 34.13 31.03 2jng s GLU 74 CO 0.02 0.45 0.32 0.42 0.02 0.00 0.00 175.26 176.49 2jng s ILE 75 N -0.19 5.24 -0.05 -3.70 1.01 -1.26 0.09 121.20 122.34 2jng s ILE 75 Ca 0.05 0.61 -0.05 0.00 0.00 0.00 0.00 60.65 61.27 2jng s ILE 75 Cb -0.12 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 2jng s ILE 75 CO 0.02 0.49 -0.10 0.18 0.00 0.00 0.00 174.94 175.54 2jng n LEU 76 N 2.68 0.57 0.00 2.97 4.32 -1.03 -4.92 117.00 121.59 2jng n LEU 76 Ca -0.14 0.09 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 2jng n LEU 76 Cb 0.53 -0.52 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2jng n LEU 76 CO 0.38 -0.45 0.00 0.61 -1.22 0.00 0.00 177.39 176.71 2jng n GLY 77 N 1.70 0.74 0.28 -0.72 0.00 -1.24 -4.31 105.19 101.64 2jng n GLY 77 Ca -0.04 -0.80 0.03 0.00 0.00 0.00 0.00 46.02 45.22 2jng n GLY 77 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jng n PHE 78 N 0.00 0.00 -0.30 1.61 3.72 -1.26 -4.75 117.46 116.47 2jng n PHE 78 Ca 0.00 -0.35 0.01 0.00 -0.05 0.00 0.00 57.45 57.06 2jng n PHE 78 Cb 0.00 -0.08 0.20 0.00 -0.94 0.00 0.00 39.48 38.67 2jng n PHE 78 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2jng h GLU 79 N 0.00 1.09 0.00 -1.08 4.39 -2.01 -3.56 114.58 113.41 2jng h GLU 79 Ca 0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2jng h GLU 79 Cb 1.18 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 2jng h GLU 79 CO 0.00 0.72 0.00 -1.91 -1.16 0.00 0.00 179.01 176.66