#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 0.45 -0.24 0.03 1.12 -1.94 0.84 114.38 114.63 2jng h ARG 5 Ca 0.00 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 2jng h ARG 5 Cb 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 29.86 2jng h ARG 5 CO 0.00 0.29 0.00 0.43 -3.11 0.00 0.00 179.97 177.58 2jng n SER 6 N -4.48 0.43 -0.07 -3.80 7.64 -1.26 -3.91 113.62 108.17 2jng n SER 6 Ca 0.12 -2.01 -0.08 0.00 1.01 0.00 0.00 58.87 57.91 2jng n SER 6 Cb 0.43 -0.13 -0.01 0.00 -1.01 0.00 0.00 64.21 63.48 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 0.22 0.26 -7.28 1.43 4.81 -1.21 -3.42 114.58 109.39 2jng h GLU 7 Ca 0.00 -0.02 -0.50 0.00 -0.13 0.00 0.00 59.36 58.71 2jng h GLU 7 Cb 0.17 -0.06 0.06 0.00 0.63 0.00 0.00 28.75 29.55 2jng h GLU 7 CO 0.01 0.17 0.34 -0.06 -0.73 0.00 0.00 179.01 178.74 2jng s PHE 8 N -6.17 3.52 0.43 0.92 0.08 -1.25 -4.97 117.98 110.54 2jng s PHE 8 Ca -0.13 1.09 0.11 0.00 0.12 0.00 0.00 56.93 58.12 2jng s PHE 8 Cb 0.10 -2.72 0.94 0.00 -0.57 0.00 0.00 43.02 40.77 2jng s PHE 8 CO 0.70 -0.73 2.02 0.00 -0.10 0.00 0.00 175.22 177.12 2jng h ALA 9 N -0.28 1.70 0.00 5.36 0.00 -1.92 -2.94 119.26 121.18 2jng h ALA 9 Ca -0.45 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.23 2jng h ALA 9 Cb 1.21 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2jng h ALA 9 CO 0.62 0.23 -1.86 0.43 0.00 0.00 0.00 179.25 178.67 2jng n SER 10 N -4.41 1.42 0.00 0.00 7.64 -1.26 -4.99 113.62 112.01 2jng n SER 10 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jng n SER 10 Cb 0.15 1.27 0.00 0.00 -1.01 0.00 0.00 64.21 64.63 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 1.87 1.43 0.34 0.23 0.00 -1.11 -4.60 105.19 103.34 2jng n GLY 11 Ca -0.14 -0.07 0.19 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.91 1.61 4.21 -1.91 -2.54 115.58 116.04 2jng h ASN 12 Ca 0.00 0.00 0.26 0.00 1.21 0.00 0.00 56.30 57.77 2jng h ASN 12 Cb 0.00 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.16 2jng h ASN 12 CO 0.00 0.00 0.65 0.74 -1.29 0.00 0.00 177.43 177.53 2jng h THR 13 N 0.00 0.55 0.59 2.81 2.02 -1.93 0.11 112.91 117.06 2jng h THR 13 Ca 0.03 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 2jng h THR 13 Cb 0.37 0.53 0.01 0.00 -1.74 0.00 0.00 68.15 67.32 2jng h THR 13 CO -0.00 0.00 -0.29 1.88 0.37 0.00 0.00 175.52 177.49 2jng h TYR 14 N 0.02 -0.74 -0.31 3.16 0.05 -1.81 -0.21 116.97 117.14 2jng h TYR 14 Ca 0.43 -0.02 0.03 0.00 0.05 0.00 0.00 58.73 59.23 2jng h TYR 14 Cb 1.71 0.25 -0.02 0.00 1.01 0.00 0.00 36.73 39.68 2jng h TYR 14 CO -0.00 -0.46 0.21 0.00 -1.05 0.00 0.00 178.16 176.86 2jng h ALA 15 N -0.38 1.92 -0.12 3.88 0.00 -1.06 -0.17 119.26 123.35 2jng h ALA 15 Ca -0.08 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 2jng h ALA 15 Cb 0.61 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2jng h ALA 15 CO 0.13 0.03 -0.54 1.25 0.00 0.00 0.00 179.25 180.12 2jng h LEU 16 N 0.29 0.68 0.35 0.00 5.85 -0.96 -1.73 115.31 119.78 2jng h LEU 16 Ca 0.13 -0.64 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 2jng h LEU 16 Cb 0.15 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.98 2jng h LEU 16 CO -0.03 1.20 -0.17 0.22 -0.34 0.00 0.00 178.44 179.33 2jng h TYR 17 N 0.19 -0.44 -0.60 1.25 3.20 -0.49 -3.02 116.97 117.06 2jng h TYR 17 Ca -0.04 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 2jng h TYR 17 Cb 1.18 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.57 2jng h TYR 17 CO 0.11 -0.16 0.36 -0.39 -1.64 0.00 0.00 178.16 176.44 2jng h VAL 18 N -0.67 1.18 -0.34 1.81 -1.51 -1.11 -1.40 116.25 114.21 2jng h VAL 18 Ca -0.05 -0.41 0.09 0.00 -1.23 0.00 0.00 66.70 65.10 2jng h VAL 18 Cb 0.48 0.36 -0.01 0.00 -2.13 0.00 0.00 31.29 29.98 2jng h VAL 18 CO 0.08 0.19 0.24 -0.09 -1.23 0.00 0.00 177.57 176.76 2jng h ARG 19 N 0.82 0.05 0.00 5.19 2.43 -1.37 0.23 114.38 121.73 2jng h ARG 19 Ca 0.22 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 2jng h ARG 19 Cb -0.01 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2jng h ARG 19 CO -0.04 0.03 -0.08 0.22 -1.51 0.00 0.00 179.97 178.59 2jng h ASP 20 N 0.05 0.00 0.23 -3.80 3.58 -1.20 -3.40 116.42 111.89 2jng h ASP 20 Ca 0.16 -0.65 -0.35 0.00 0.42 0.00 0.00 57.03 56.61 2jng h ASP 20 Cb 0.57 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.62 2jng h ASP 20 CO -0.01 0.87 -1.77 0.74 -2.88 0.00 0.00 179.24 176.19 2jng h THR 21 N -1.00 0.89 -1.66 2.25 2.02 -1.16 -3.43 112.91 110.82 2jng h THR 21 Ca -0.02 -2.53 -0.47 0.00 0.77 0.00 0.00 66.41 64.17 2jng h THR 21 Cb 0.71 2.69 -0.05 0.00 -1.74 0.00 0.00 68.15 69.76 2jng h THR 21 CO -0.01 0.85 1.16 -0.22 0.37 0.00 0.00 175.52 177.67 2jng s LEU 22 N -7.14 3.25 0.45 2.58 2.96 0.81 -4.97 118.68 116.64 2jng s LEU 22 Ca -0.16 -0.22 -0.15 0.00 -0.22 0.00 0.00 54.13 53.39 2jng s LEU 22 Cb 0.06 -2.55 -0.08 0.00 0.50 0.00 0.00 46.19 44.13 2jng s LEU 22 CO 0.83 -2.29 0.89 -1.10 -1.32 0.00 0.00 176.35 173.36 2jng s GLN 23 N 6.61 3.92 -0.14 1.98 -0.21 -1.26 -4.77 119.66 125.79 2jng s GLN 23 Ca 0.60 0.79 -0.32 0.00 0.02 0.00 0.00 55.36 56.44 2jng s GLN 23 Cb -0.09 -2.25 -0.10 0.00 1.00 0.00 0.00 33.01 31.57 2jng s GLN 23 CO 0.12 -0.13 2.03 -2.30 -2.12 0.00 0.00 175.29 172.88 2jng n PRO 24 N -1.29 2.07 0.00 2.91 -0.02 -1.26 -0.95 135.00 136.46 2jng n PRO 24 Ca 0.05 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2jng n PRO 24 Cb 0.54 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 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 5.08 1.69 3.76 -1.23 0.00 0.10 -4.99 105.19 109.61 2jng n GLY 25 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.20 4.76 0.38 1.61 -1.94 -0.12 -4.77 119.30 119.02 2jng s MET 26 Ca 0.00 1.48 -0.23 0.00 -1.71 0.00 0.00 55.69 55.23 2jng s MET 26 Cb 0.00 -3.14 -0.10 0.00 2.01 0.00 0.00 34.83 33.60 2jng s MET 26 CO 0.00 0.42 0.95 0.50 -0.01 0.00 0.00 175.02 176.88 2jng s ARG 27 N -1.44 4.39 0.15 2.03 3.52 -1.20 -0.35 118.95 126.05 2jng s ARG 27 Ca 0.44 1.24 0.06 0.00 -0.13 0.00 0.00 55.73 57.34 2jng s ARG 27 Cb -0.25 -2.48 -0.04 0.00 -1.56 0.00 0.00 34.95 30.62 2jng s ARG 27 CO 0.31 0.11 -0.13 0.14 -0.81 0.00 0.00 175.30 174.91 2jng s VAL 28 N -1.89 1.41 -0.06 7.11 -7.23 0.17 -2.05 120.40 117.86 2jng s VAL 28 Ca 0.56 -1.92 0.03 0.00 -1.81 0.00 0.00 61.98 58.85 2jng s VAL 28 Cb -0.14 -1.73 0.00 0.00 0.56 0.00 0.00 36.38 35.07 2jng s VAL 28 CO 0.19 -0.53 -0.16 -0.60 -0.31 0.00 0.00 175.10 173.69 2jng s ARG 29 N -3.14 1.87 -0.10 4.82 3.52 -0.44 -0.88 118.95 124.60 2jng s ARG 29 Ca 0.14 -0.55 -0.23 0.00 -0.13 0.00 0.00 55.73 54.97 2jng s ARG 29 Cb -0.02 -1.55 -0.03 0.00 -1.56 0.00 0.00 34.95 31.78 2jng s ARG 29 CO 0.03 0.14 0.69 1.41 -0.81 0.00 0.00 175.30 176.76 2jng s MET 30 N 0.34 4.38 -0.07 5.12 -2.45 0.13 0.14 119.30 126.89 2jng s MET 30 Ca -0.10 0.82 0.11 0.00 -1.25 0.00 0.00 55.69 55.27 2jng s MET 30 Cb -0.14 -3.48 0.28 0.00 1.25 0.00 0.00 34.83 32.74 2jng s MET 30 CO 0.04 -0.01 1.21 1.47 1.05 0.00 0.00 175.02 178.77 2jng n LEU 31 N 4.10 2.80 -4.05 4.11 -0.00 -1.25 0.08 117.00 122.79 2jng n LEU 31 Ca -0.01 -2.48 -0.08 0.00 -0.00 0.00 0.00 56.01 53.44 2jng n LEU 31 Cb 0.51 -0.29 -0.10 0.00 -0.00 0.00 0.00 43.42 43.53 2jng n LEU 31 CO 0.46 0.65 -0.36 -0.62 -0.00 0.00 0.00 177.39 177.53 2jng s ASP 32 N -1.63 0.39 -0.23 1.45 2.15 -1.26 -4.75 116.67 112.79 2jng s ASP 32 Ca 0.24 -0.81 -0.15 0.00 0.43 0.00 0.00 52.55 52.26 2jng s ASP 32 Cb 0.18 0.16 -0.04 0.00 -0.30 0.00 0.00 42.92 42.92 2jng s ASP 32 CO 0.07 -0.49 0.36 -0.62 -0.17 0.00 0.00 175.17 174.32 2jng s ASP 33 N -2.38 6.33 -0.29 -0.34 -1.08 -1.26 -2.92 116.67 114.74 2jng s ASP 33 Ca -0.02 0.39 0.04 0.00 -0.52 0.00 0.00 52.55 52.44 2jng s ASP 33 Cb 0.01 -2.21 0.19 0.00 -1.46 0.00 0.00 42.92 39.46 2jng s ASP 33 CO -0.07 -0.10 0.57 -0.47 0.52 0.00 0.00 175.17 175.63 2jng s TYR 34 N 1.54 -1.72 0.00 -5.34 5.04 0.48 -5.00 117.35 112.36 2jng s TYR 34 Ca 0.16 1.18 0.00 0.00 -2.44 0.00 0.00 57.07 55.97 2jng s TYR 34 Cb -0.15 0.34 0.00 0.00 0.35 0.00 0.00 41.96 42.50 2jng s TYR 34 CO 0.08 -1.02 0.00 -1.91 -1.34 0.00 0.00 175.55 171.36 2jng n GLU 35 N 5.42 0.00 0.00 4.97 0.00 -1.26 -1.79 120.64 127.97 2jng n GLU 35 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.19 2jng n GLU 35 Cb 0.53 -1.09 0.00 0.00 0.00 0.00 0.00 31.44 30.88 2jng n GLU 35 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2jng n GLU 36 N -0.63 0.00 -3.66 5.31 4.07 -1.26 -5.13 120.64 119.34 2jng n GLU 36 Ca 0.00 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.77 2jng n GLU 36 Cb 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.33 2jng n GLU 36 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2jng s ILE 37 N -0.88 5.17 0.33 6.31 -1.09 -0.74 -5.02 121.20 125.28 2jng s ILE 37 Ca 0.00 0.23 0.07 0.00 -2.23 0.00 0.00 60.65 58.71 2jng s ILE 37 Cb 0.00 -3.62 -0.07 0.00 -1.58 0.00 0.00 42.46 37.20 2jng s ILE 37 CO 0.00 0.22 -0.02 -0.44 -1.23 0.00 0.00 174.94 173.47 2jng s SER 38 N -1.99 3.14 0.05 3.58 0.01 -1.26 -0.39 113.70 116.85 2jng s SER 38 Ca 0.34 -1.28 -0.31 0.00 1.31 0.00 0.00 55.95 56.02 2jng s SER 38 Cb -0.13 -0.24 -0.07 0.00 0.21 0.00 0.00 66.02 65.79 2jng s SER 38 CO 0.20 -0.40 1.50 0.00 0.41 0.00 0.00 173.24 174.95 2jng s ALA 39 N -2.92 3.63 0.00 1.44 0.00 -1.15 -2.24 121.76 120.52 2jng s ALA 39 Ca 0.33 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.34 2jng s ALA 39 Cb 0.06 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2jng s ALA 39 CO 0.15 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.38 2jng n GLY 40 N 3.76 2.18 3.80 0.00 0.00 0.11 -4.94 105.19 110.09 2jng n GLY 40 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.55 5.92 0.17 1.61 1.01 -0.95 -4.82 116.67 118.06 2jng s ASP 41 Ca 0.00 1.88 0.04 0.00 0.71 0.00 0.00 52.55 55.18 2jng s ASP 41 Cb 0.00 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 2jng s ASP 41 CO 0.00 -1.07 -0.07 -1.61 0.21 0.00 0.00 175.17 172.62 2jng s GLU 42 N -3.78 1.12 0.05 8.23 2.02 -1.26 0.18 118.70 125.27 2jng s GLU 42 Ca 0.65 -1.51 -0.03 0.00 0.02 0.00 0.00 54.97 54.11 2jng s GLU 42 Cb -0.17 -0.60 0.01 0.00 0.10 0.00 0.00 34.13 33.47 2jng s GLU 42 CO 0.32 0.03 0.14 0.41 0.02 0.00 0.00 175.26 176.17 2jng n GLY 43 N -0.25 1.63 3.44 -1.39 0.00 -0.06 -3.24 105.19 105.32 2jng n GLY 43 Ca -0.09 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.01 2.25 -0.18 1.61 2.12 0.15 0.45 118.70 123.09 2jng s GLU 44 Ca 0.03 -0.86 -0.22 0.00 0.36 0.00 0.00 54.97 54.29 2jng s GLU 44 Cb -0.01 -2.24 -0.03 0.00 0.26 0.00 0.00 34.13 32.12 2jng s GLU 44 CO 0.02 0.58 0.66 0.12 -0.54 0.00 0.00 175.26 176.10 2jng s PHE 45 N -0.79 3.41 -0.14 5.30 5.36 0.53 -0.04 117.98 131.60 2jng s PHE 45 Ca 0.13 1.01 -0.11 0.00 -0.96 0.00 0.00 56.93 56.99 2jng s PHE 45 Cb -0.10 -2.82 -0.06 0.00 -0.34 0.00 0.00 43.02 39.69 2jng s PHE 45 CO 0.02 -0.15 -0.24 0.54 -1.46 0.00 0.00 175.22 173.94 2jng n ARG 46 N 4.90 0.38 -3.80 10.12 1.74 -1.14 0.03 116.66 128.90 2jng n ARG 46 Ca -0.01 0.16 -0.12 0.00 -0.77 0.00 0.00 57.85 57.11 2jng n ARG 46 Cb 0.50 -1.15 -0.08 0.00 -1.02 0.00 0.00 32.46 30.71 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 -2.48 0.69 0.15 5.56 0.74 -0.80 -4.53 119.66 118.98 2jng s GLN 47 Ca -0.23 -0.44 0.07 0.00 0.05 0.00 0.00 55.36 54.82 2jng s GLN 47 Cb 0.06 0.30 -0.04 0.00 1.10 0.00 0.00 33.01 34.43 2jng s GLN 47 CO 0.31 -0.20 -0.17 -1.12 -0.55 0.00 0.00 175.29 173.56 2jng s SER 48 N -1.77 2.42 0.90 6.67 0.01 -1.26 -0.61 113.70 120.06 2jng s SER 48 Ca -0.09 -0.84 -0.11 0.00 1.31 0.00 0.00 55.95 56.22 2jng s SER 48 Cb -0.03 -0.12 0.19 0.00 0.21 0.00 0.00 66.02 66.27 2jng s SER 48 CO -0.01 -0.08 1.24 0.20 0.41 0.00 0.00 173.24 175.00 2jng s ASN 49 N -2.59 3.33 0.03 2.44 0.02 -1.25 -4.95 114.94 111.98 2jng s ASN 49 Ca 0.13 -0.04 -0.25 0.00 -1.02 0.00 0.00 52.86 51.68 2jng s ASN 49 Cb -0.05 -0.03 -0.14 0.00 0.02 0.00 0.00 41.25 41.05 2jng s ASN 49 CO 0.05 -2.57 1.27 -1.13 0.02 0.00 0.00 177.10 174.75 2jng h ASN 50 N -1.35 -0.76 0.00 -1.22 -1.24 -2.02 -3.42 115.58 105.58 2jng h ASN 50 Ca -0.41 0.03 -0.14 0.00 0.71 0.00 0.00 56.30 56.49 2jng h ASN 50 Cb 1.23 0.20 -0.20 0.00 0.73 0.00 0.00 38.32 40.28 2jng h ASN 50 CO 0.35 -0.51 -0.51 0.61 -1.29 0.00 0.00 177.43 176.09 2jng n GLY 51 N -1.16 0.67 3.80 1.57 0.00 -1.26 -5.13 105.19 103.69 2jng n GLY 51 Ca -0.11 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 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 3.89 0.23 1.61 -7.23 -1.26 -5.05 120.40 112.59 2jng s VAL 52 Ca 0.10 -1.48 -0.06 0.00 -1.81 0.00 0.00 61.98 58.73 2jng s VAL 52 Cb 0.12 -3.22 0.19 0.00 0.56 0.00 0.00 36.38 34.03 2jng s VAL 52 CO -0.05 -0.28 1.73 -0.65 -0.31 0.00 0.00 175.10 175.54 2jng h PRO 53 N 1.46 0.40 -6.50 4.82 0.11 -1.99 -3.44 132.00 126.88 2jng h PRO 53 Ca -0.46 -0.02 -0.59 0.00 0.11 0.00 0.00 66.00 65.03 2jng h PRO 53 Cb 1.25 -0.09 0.06 0.00 0.11 0.00 0.00 31.00 32.33 2jng h PRO 53 CO 0.60 0.27 0.75 -2.30 -0.21 0.00 0.00 178.00 177.11 2jng n PRO 54 N -5.01 2.05 -4.51 1.05 -0.02 -1.26 -3.84 135.00 123.46 2jng n PRO 54 Ca 0.12 0.74 -0.22 0.00 -2.02 0.00 0.00 63.50 62.13 2jng n PRO 54 Cb 0.37 -2.49 -0.15 0.00 -0.02 0.00 0.00 33.50 31.21 2jng n PRO 54 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2jng s VAL 55 N 0.77 0.95 -0.43 -1.45 0.11 -0.19 -3.88 120.40 116.29 2jng s VAL 55 Ca 0.78 -0.47 -0.16 0.00 -2.93 0.00 0.00 61.98 59.20 2jng s VAL 55 Cb -0.70 -0.82 0.03 0.00 -1.53 0.00 0.00 36.38 33.35 2jng s VAL 55 CO 0.40 0.28 0.40 -1.58 -3.33 0.00 0.00 175.10 171.27 2jng s GLN 56 N 0.04 3.04 -0.03 1.54 0.74 0.23 -0.56 119.66 124.65 2jng s GLN 56 Ca -0.01 -0.91 0.07 0.00 0.05 0.00 0.00 55.36 54.56 2jng s GLN 56 Cb -0.08 -3.99 -0.02 0.00 1.10 0.00 0.00 33.01 30.02 2jng s GLN 56 CO 0.01 -0.85 -0.24 0.08 -0.55 0.00 0.00 175.29 173.73 2jng s VAL 57 N 1.96 1.94 -0.44 1.34 1.01 0.55 -1.91 120.40 124.85 2jng s VAL 57 Ca 0.09 -1.04 -0.20 0.00 0.00 0.00 0.00 61.98 60.83 2jng s VAL 57 Cb -0.18 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.60 2jng s VAL 57 CO 0.12 0.55 0.61 0.12 0.00 0.00 0.00 175.10 176.50 2jng s PHE 58 N -0.45 3.08 -0.31 5.22 5.36 0.94 -0.05 117.98 131.77 2jng s PHE 58 Ca 0.06 -0.14 -0.21 0.00 -0.96 0.00 0.00 56.93 55.67 2jng s PHE 58 Cb -0.11 -3.30 -0.01 0.00 -0.34 0.00 0.00 43.02 39.27 2jng s PHE 58 CO 0.00 -0.86 0.67 -1.58 -1.46 0.00 0.00 175.22 171.99 2jng s TRP 59 N 2.71 3.21 -0.05 10.12 0.52 -0.13 0.30 118.94 135.62 2jng s TRP 59 Ca 0.20 0.64 0.31 0.00 0.02 0.00 0.00 56.10 57.27 2jng s TRP 59 Cb -0.15 -3.05 1.13 0.00 -1.15 0.00 0.00 33.47 30.26 2jng s TRP 59 CO 0.18 -0.50 1.89 1.05 0.02 0.00 0.00 176.95 179.59 2jng h GLU 60 N 8.17 0.00 -0.22 4.98 4.11 -1.85 0.42 114.58 130.20 2jng h GLU 60 Ca -0.26 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.12 2jng h GLU 60 Cb 1.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2jng h GLU 60 CO 0.82 0.00 -0.06 1.03 0.07 0.00 0.00 179.01 180.87 2jng h SER 61 N 0.00 0.44 0.43 3.06 0.87 -1.91 -3.28 113.55 113.17 2jng h SER 61 Ca 0.00 -0.37 -0.19 0.00 -1.23 0.00 0.00 61.79 60.00 2jng h SER 61 Cb 0.60 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 2jng h SER 61 CO 0.00 0.72 -1.72 0.41 -0.53 0.00 0.00 176.83 175.70 2jng n THR 62 N -4.58 1.05 -1.83 2.23 -1.04 -1.07 -4.98 114.28 104.06 2jng n THR 62 Ca -0.04 -0.70 -0.01 0.00 -2.04 0.00 0.00 64.05 61.25 2jng n THR 62 Cb 0.30 -0.57 -0.00 0.00 -1.82 0.00 0.00 70.33 68.24 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 1.45 0.35 3.13 3.41 0.00 0.15 -5.05 105.19 108.63 2jng n GLY 63 Ca -0.14 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.69 0.71 0.09 1.61 1.81 -1.10 -4.98 118.95 113.41 2jng s ARG 64 Ca 0.00 -1.11 -0.26 0.00 -1.72 0.00 0.00 55.73 52.63 2jng s ARG 64 Cb 0.00 -0.23 -0.06 0.00 -0.45 0.00 0.00 34.95 34.21 2jng s ARG 64 CO 0.00 0.01 0.81 0.95 -0.68 0.00 0.00 175.30 176.39 2jng s THR 65 N -2.79 4.57 0.00 0.02 -4.23 -1.26 -0.95 115.64 111.01 2jng s THR 65 Ca 0.03 1.75 -0.02 0.00 -1.18 0.00 0.00 61.69 62.27 2jng s THR 65 Cb -0.00 -4.17 -0.01 0.00 1.34 0.00 0.00 72.50 69.66 2jng s THR 65 CO -0.03 0.40 0.03 -0.47 -0.54 0.00 0.00 174.62 174.01 2jng s TYR 66 N -0.35 0.12 -0.34 3.99 5.04 0.93 -4.96 117.35 121.78 2jng s TYR 66 Ca 0.40 -0.24 -0.14 0.00 -2.44 0.00 0.00 57.07 54.64 2jng s TYR 66 Cb -0.22 -0.10 -0.02 0.00 0.35 0.00 0.00 41.96 41.98 2jng s TYR 66 CO 0.25 -0.17 0.31 -1.58 -1.34 0.00 0.00 175.55 173.03 2jng s TRP 67 N -1.02 3.22 0.46 4.97 0.51 -1.25 -0.33 118.94 125.50 2jng s TRP 67 Ca -0.11 -0.09 0.02 0.00 -2.12 0.00 0.00 56.10 53.81 2jng s TRP 67 Cb -0.07 -2.59 0.02 0.00 -0.81 0.00 0.00 33.47 30.03 2jng s TRP 67 CO -0.00 -0.40 0.19 0.28 -0.51 0.00 0.00 176.95 176.52 2jng n VAL 68 N 5.18 0.00 -3.74 4.03 0.31 0.27 -4.75 118.33 119.63 2jng n VAL 68 Ca -0.11 -1.99 -0.37 0.00 -0.01 0.00 0.00 64.34 61.87 2jng n VAL 68 Cb 0.50 0.14 -0.07 0.00 -0.91 0.00 0.00 33.84 33.50 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 -2.47 3.56 0.21 3.52 0.09 -1.26 -1.03 115.29 117.91 2jng s HIS 69 Ca 0.15 0.57 -0.16 0.00 -0.00 0.00 0.00 55.06 55.62 2jng s HIS 69 Cb -0.01 -2.10 0.22 0.00 -0.00 0.00 0.00 32.58 30.70 2jng s HIS 69 CO 0.09 0.56 1.60 -1.49 -0.00 0.00 0.00 174.74 175.50 2jng h TRP 70 N 5.55 -0.64 0.00 1.40 4.06 -1.94 -2.01 115.95 122.36 2jng h TRP 70 Ca -0.49 0.07 0.00 0.00 2.06 0.00 0.00 58.89 60.53 2jng h TRP 70 Cb 1.20 0.39 0.00 0.00 -1.00 0.00 0.00 29.16 29.75 2jng h TRP 70 CO 0.69 -0.35 0.00 -2.39 -3.56 0.00 0.00 178.44 172.83 2jng n HIS 71 N -5.47 0.00 -0.93 0.49 1.44 -1.26 -2.72 115.22 106.77 2jng n HIS 71 Ca 0.08 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.87 2jng n HIS 71 Cb 0.37 -0.31 0.30 0.00 0.12 0.00 0.00 29.99 30.47 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 -1.31 3.50 -4.11 -1.40 0.00 -0.76 -4.81 117.12 108.24 2jng n MET 72 Ca 0.08 -2.91 -0.11 0.00 0.00 0.00 0.00 57.70 54.76 2jng n MET 72 Cb 0.16 -1.95 -0.11 0.00 0.00 0.00 0.00 33.22 31.32 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 -2.72 2.38 -0.11 3.17 0.05 -1.10 -3.83 118.68 116.52 2jng s LEU 73 Ca 0.45 -0.76 -0.06 0.00 0.05 0.00 0.00 54.13 53.81 2jng s LEU 73 Cb 0.35 -0.10 -0.04 0.00 -2.05 0.00 0.00 46.19 44.36 2jng s LEU 73 CO 0.12 -0.34 0.11 -1.61 -0.55 0.00 0.00 176.35 174.07 2jng s GLU 74 N -2.65 3.33 -0.25 1.48 0.41 0.12 -4.97 118.70 116.17 2jng s GLU 74 Ca -0.00 -0.21 -0.16 0.00 -0.41 0.00 0.00 54.97 54.20 2jng s GLU 74 Cb -0.03 -3.09 -0.04 0.00 -1.78 0.00 0.00 34.13 29.20 2jng s GLU 74 CO -0.02 0.76 0.41 -1.50 -0.49 0.00 0.00 175.26 174.41 2jng s ILE 75 N -1.01 5.16 -0.20 -1.63 -1.16 -1.26 -1.32 121.20 119.78 2jng s ILE 75 Ca 0.15 0.66 -0.15 0.00 -0.51 0.00 0.00 60.65 60.80 2jng s ILE 75 Cb -0.12 -3.73 -0.09 0.00 0.61 0.00 0.00 42.46 39.13 2jng s ILE 75 CO 0.04 0.16 -0.20 0.18 -2.81 0.00 0.00 174.94 172.31 2jng n LEU 76 N 5.19 1.89 0.00 8.50 7.99 -0.87 -4.96 117.00 134.74 2jng n LEU 76 Ca -0.08 0.43 0.00 0.00 -0.01 0.00 0.00 56.01 56.36 2jng n LEU 76 Cb 0.51 -0.83 0.00 0.00 -0.11 0.00 0.00 43.42 42.98 2jng n LEU 76 CO 0.38 -0.04 0.00 0.61 -1.51 0.00 0.00 177.39 176.83 2jng n GLY 77 N 1.45 1.65 0.00 -0.72 0.00 -1.03 -4.81 105.19 101.73 2jng n GLY 77 Ca -0.24 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 7.83 0.00 0.00 1.61 3.72 -1.26 -3.24 117.46 126.11 2jng n PHE 78 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2jng n PHE 78 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2jng n PHE 78 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2jng n GLU 79 N 0.00 0.00 0.00 -1.08 4.71 -1.26 -5.12 120.64 117.89 2jng n GLU 79 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.16 2jng n GLU 79 Cb 0.00 0.00 0.05 0.00 -1.01 0.00 0.00 31.44 30.48 2jng n GLU 79 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31