#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 0.00 -0.19 2.12 3.08 -2.01 0.29 114.38 117.67 2jng h ARG 5 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2jng h ARG 5 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2jng h ARG 5 CO 0.00 0.00 0.00 0.45 -1.07 0.00 0.00 179.97 179.35 2jng n SER 6 N -4.00 0.19 0.31 7.04 2.88 -1.26 -4.04 113.62 114.73 2jng n SER 6 Ca 0.00 -0.84 0.16 0.00 -1.33 0.00 0.00 58.87 56.86 2jng n SER 6 Cb 0.23 -0.10 0.79 0.00 -0.75 0.00 0.00 64.21 64.39 2jng n SER 6 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2jng h GLU 7 N 0.27 0.00 -6.82 -1.46 4.81 -1.31 -3.35 114.58 106.71 2jng h GLU 7 Ca 0.00 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.70 2jng h GLU 7 Cb 0.10 0.00 0.21 0.00 0.63 0.00 0.00 28.75 29.68 2jng h GLU 7 CO 0.00 0.00 -0.45 1.19 -0.73 0.00 0.00 179.01 179.02 2jng n PHE 8 N -2.97 -1.09 -0.23 0.92 3.72 -1.26 -4.86 117.46 111.69 2jng n PHE 8 Ca -0.01 0.27 0.03 0.00 -0.05 0.00 0.00 57.45 57.69 2jng n PHE 8 Cb 0.42 -1.83 0.15 0.00 -0.94 0.00 0.00 39.48 37.28 2jng n PHE 8 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jng h ALA 9 N -1.41 0.87 0.00 4.37 0.00 -1.99 -2.25 119.26 118.85 2jng h ALA 9 Ca -0.44 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2jng h ALA 9 Cb 1.29 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2jng h ALA 9 CO 0.36 -0.29 -0.47 0.43 0.00 0.00 0.00 179.25 179.28 2jng n SER 10 N -5.11 0.70 0.00 0.00 7.64 -1.26 -4.98 113.62 110.61 2jng n SER 10 Ca 0.12 -0.59 0.00 0.00 1.01 0.00 0.00 58.87 59.41 2jng n SER 10 Cb 0.39 1.04 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 1.28 1.48 0.18 0.23 0.00 -0.85 -4.88 105.19 102.64 2jng n GLY 11 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 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 0.16 1.61 4.21 -1.90 -2.31 115.58 117.35 2jng h ASN 12 Ca 0.00 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.45 2jng h ASN 12 Cb 0.00 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 2jng h ASN 12 CO 0.00 0.41 -0.23 0.74 -1.29 0.00 0.00 177.43 177.06 2jng h THR 13 N 0.00 1.20 -0.33 2.81 2.02 -1.95 -1.28 112.91 115.38 2jng h THR 13 Ca -0.00 -0.93 -0.05 0.00 0.77 0.00 0.00 66.41 66.20 2jng h THR 13 Cb 0.80 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 2jng h THR 13 CO 0.05 0.28 0.02 0.22 0.37 0.00 0.00 175.52 176.46 2jng h TYR 14 N 0.12 0.63 -0.74 3.16 3.20 -1.73 0.11 116.97 121.71 2jng h TYR 14 Ca 0.02 -0.10 0.10 0.00 3.14 0.00 0.00 58.73 61.89 2jng h TYR 14 Cb 0.47 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.53 2jng h TYR 14 CO 0.00 0.68 0.49 0.00 -1.64 0.00 0.00 178.16 177.69 2jng h ALA 15 N 0.87 1.83 -0.07 1.82 0.00 -1.21 -0.69 119.26 121.80 2jng h ALA 15 Ca 0.10 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2jng h ALA 15 Cb 0.42 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2jng h ALA 15 CO 0.01 0.01 -0.25 1.25 0.00 0.00 0.00 179.25 180.27 2jng h LEU 16 N 0.64 0.35 0.32 0.00 5.85 -0.72 -1.99 115.31 119.77 2jng h LEU 16 Ca 0.34 -0.62 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 2jng h LEU 16 Cb 0.48 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2jng h LEU 16 CO -0.12 0.91 -0.28 0.22 -0.34 0.00 0.00 178.44 178.83 2jng h TYR 17 N -0.19 -0.74 -0.51 1.25 3.20 -0.33 -2.59 116.97 117.06 2jng h TYR 17 Ca -0.01 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2jng h TYR 17 Cb 0.88 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.41 2jng h TYR 17 CO 0.12 -0.41 0.27 -0.39 -1.64 0.00 0.00 178.16 176.11 2jng h VAL 18 N -0.61 1.18 -0.89 1.81 -1.51 -1.24 -3.02 116.25 111.97 2jng h VAL 18 Ca -0.02 -0.49 0.13 0.00 -1.23 0.00 0.00 66.70 65.10 2jng h VAL 18 Cb 0.55 0.57 -0.07 0.00 -2.13 0.00 0.00 31.29 30.21 2jng h VAL 18 CO -0.03 0.20 0.57 -0.09 -1.23 0.00 0.00 177.57 176.99 2jng h ARG 19 N 0.68 0.71 -0.52 5.19 1.12 -1.12 0.65 114.38 121.09 2jng h ARG 19 Ca 0.18 -0.04 -0.06 0.00 -1.11 0.00 0.00 59.98 58.94 2jng h ARG 19 Cb 0.08 -0.16 -0.02 0.00 -0.01 0.00 0.00 29.97 29.86 2jng h ARG 19 CO -0.03 0.47 0.07 0.22 -3.11 0.00 0.00 179.97 177.59 2jng h ASP 20 N 0.73 0.83 0.60 -3.80 3.58 -1.33 -3.23 116.42 113.80 2jng h ASP 20 Ca 0.44 -0.27 -0.26 0.00 0.42 0.00 0.00 57.03 57.36 2jng h ASP 20 Cb 0.66 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.44 2jng h ASP 20 CO -0.20 0.89 -1.56 0.74 -2.88 0.00 0.00 179.24 176.22 2jng h THR 21 N 0.74 0.90 -0.88 2.25 2.02 -1.29 -3.42 112.91 113.23 2jng h THR 21 Ca 0.16 -2.68 -0.44 0.00 0.77 0.00 0.00 66.41 64.21 2jng h THR 21 Cb 0.42 2.41 -0.07 0.00 -1.74 0.00 0.00 68.15 69.17 2jng h THR 21 CO 0.01 0.51 1.13 -0.76 0.37 0.00 0.00 175.52 176.78 2jng s LEU 22 N -6.13 3.33 0.20 2.58 2.01 0.22 -4.95 118.68 115.95 2jng s LEU 22 Ca -0.04 -1.11 0.05 0.00 0.01 0.00 0.00 54.13 53.04 2jng s LEU 22 Cb 0.08 -2.57 -0.03 0.00 0.01 0.00 0.00 46.19 43.68 2jng s LEU 22 CO 0.82 -2.16 0.24 -1.10 1.01 0.00 0.00 176.35 175.16 2jng s GLN 23 N 6.01 3.18 -0.35 1.70 1.11 -1.26 -4.85 119.66 125.20 2jng s GLN 23 Ca 0.59 -0.82 -0.38 0.00 0.01 0.00 0.00 55.36 54.76 2jng s GLN 23 Cb -0.03 -2.77 -0.14 0.00 -1.01 0.00 0.00 33.01 29.06 2jng s GLN 23 CO -0.04 0.46 2.02 -2.30 0.01 0.00 0.00 175.29 175.45 2jng n PRO 24 N -0.86 0.93 0.00 2.91 -0.02 -1.26 -0.87 135.00 135.83 2jng n PRO 24 Ca -0.08 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2jng n PRO 24 Cb 0.56 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 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 5.88 1.78 3.69 -1.23 0.00 -0.26 -5.01 105.19 110.05 2jng n GLY 25 Ca 0.38 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 4.39 0.45 1.61 -1.94 -0.05 -4.80 119.30 118.96 2jng s MET 26 Ca 0.00 1.57 -0.21 0.00 -1.71 0.00 0.00 55.69 55.34 2jng s MET 26 Cb 0.00 -3.54 -0.09 0.00 2.01 0.00 0.00 34.83 33.21 2jng s MET 26 CO 0.00 -0.37 1.01 0.50 -0.01 0.00 0.00 175.02 176.15 2jng s ARG 27 N 2.02 4.01 0.08 2.03 3.52 -1.26 -0.52 118.95 128.84 2jng s ARG 27 Ca 0.53 1.30 0.03 0.00 -0.13 0.00 0.00 55.73 57.46 2jng s ARG 27 Cb -0.23 -2.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.93 2jng s ARG 27 CO 0.21 -0.24 -0.08 0.14 -0.81 0.00 0.00 175.30 174.52 2jng s VAL 28 N -1.99 0.75 -0.03 7.11 -7.23 0.14 -0.53 120.40 118.61 2jng s VAL 28 Ca 0.64 -1.62 0.06 0.00 -1.81 0.00 0.00 61.98 59.25 2jng s VAL 28 Cb -0.15 -1.30 -0.01 0.00 0.56 0.00 0.00 36.38 35.48 2jng s VAL 28 CO 0.19 -0.64 -0.21 -0.60 -0.31 0.00 0.00 175.10 173.53 2jng s ARG 29 N -2.90 1.92 -0.45 4.82 3.52 0.15 -0.46 118.95 125.55 2jng s ARG 29 Ca 0.04 -0.73 -0.29 0.00 -0.13 0.00 0.00 55.73 54.62 2jng s ARG 29 Cb -0.01 -1.72 0.02 0.00 -1.56 0.00 0.00 34.95 31.67 2jng s ARG 29 CO -0.02 0.36 1.25 1.41 -0.81 0.00 0.00 175.30 177.49 2jng s MET 30 N -0.23 3.67 0.09 5.12 -2.45 0.21 -0.02 119.30 125.69 2jng s MET 30 Ca 0.01 0.73 0.17 0.00 -1.25 0.00 0.00 55.69 55.35 2jng s MET 30 Cb -0.11 -3.95 -0.11 0.00 1.25 0.00 0.00 34.83 31.92 2jng s MET 30 CO 0.01 -1.44 0.90 1.25 1.05 0.00 0.00 175.02 176.78 2jng h LEU 31 N 11.58 0.00 -9.03 4.11 5.85 -1.71 0.51 115.31 126.62 2jng h LEU 31 Ca -0.25 0.00 -0.65 0.00 0.84 0.00 0.00 57.88 57.83 2jng h LEU 31 Cb 1.08 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 41.92 2jng h LEU 31 CO 1.11 0.54 -0.82 -0.62 -0.34 0.00 0.00 178.44 178.31 2jng s ASP 32 N -5.82 3.39 -0.18 1.25 2.15 -1.24 -4.79 116.67 111.42 2jng s ASP 32 Ca -0.02 -0.87 -0.14 0.00 0.43 0.00 0.00 52.55 51.95 2jng s ASP 32 Cb 0.09 -0.25 -0.04 0.00 -0.30 0.00 0.00 42.92 42.41 2jng s ASP 32 CO 0.80 0.11 0.31 -0.62 -0.17 0.00 0.00 175.17 175.60 2jng s ASP 33 N -2.70 6.40 -0.26 -0.34 2.15 -1.26 -3.90 116.67 116.76 2jng s ASP 33 Ca 0.21 0.46 -0.06 0.00 0.43 0.00 0.00 52.55 53.59 2jng s ASP 33 Cb -0.08 -2.19 0.13 0.00 -0.30 0.00 0.00 42.92 40.49 2jng s ASP 33 CO 0.10 0.04 0.54 -0.47 -0.17 0.00 0.00 175.17 175.21 2jng s TYR 34 N 0.80 -1.18 0.00 -5.34 5.04 -0.63 -4.90 117.35 111.15 2jng s TYR 34 Ca 0.16 1.78 0.00 0.00 -2.44 0.00 0.00 57.07 56.57 2jng s TYR 34 Cb -0.14 0.51 0.00 0.00 0.35 0.00 0.00 41.96 42.69 2jng s TYR 34 CO 0.05 -0.67 0.00 0.39 -1.34 0.00 0.00 175.55 173.99 2jng n GLU 35 N 5.42 0.00 0.22 4.97 -0.58 -1.26 -1.39 120.64 128.01 2jng n GLU 35 Ca -0.08 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.75 2jng n GLU 35 Cb 0.50 0.00 0.46 0.00 -0.57 0.00 0.00 31.44 31.83 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 -6.27 3.49 5.08 -2.04 -3.44 114.58 111.41 2jng h GLU 36 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 2jng h GLU 36 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2jng h GLU 36 CO 0.00 0.25 -0.14 0.42 -1.00 0.00 0.00 179.01 178.54 2jng s ILE 37 N -3.73 4.94 0.12 3.13 -1.09 -0.49 -5.08 121.20 119.01 2jng s ILE 37 Ca -0.00 0.66 0.11 0.00 -2.23 0.00 0.00 60.65 59.18 2jng s ILE 37 Cb 0.11 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 2jng s ILE 37 CO 0.64 0.22 -0.27 -0.44 -1.23 0.00 0.00 174.94 173.86 2jng s SER 38 N -1.82 3.27 0.21 3.58 0.01 -1.26 -1.60 113.70 116.08 2jng s SER 38 Ca 0.37 -0.74 -0.32 0.00 1.31 0.00 0.00 55.95 56.58 2jng s SER 38 Cb -0.14 -0.22 -0.12 0.00 0.21 0.00 0.00 66.02 65.75 2jng s SER 38 CO 0.19 0.18 1.73 0.00 0.41 0.00 0.00 173.24 175.75 2jng s ALA 39 N -1.05 3.94 0.00 1.44 0.00 -1.25 -1.91 121.76 122.93 2jng s ALA 39 Ca 0.14 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.69 2jng s ALA 39 Cb -0.10 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.32 2jng s ALA 39 CO 0.06 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.29 2jng n GLY 40 N 4.00 1.08 3.77 0.00 0.00 0.17 -4.98 105.19 109.23 2jng n GLY 40 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.82 6.00 0.08 1.61 -1.08 -0.80 -4.75 116.67 115.91 2jng s ASP 41 Ca 0.00 2.79 0.09 0.00 -0.52 0.00 0.00 52.55 54.90 2jng s ASP 41 Cb 0.00 -2.64 -0.03 0.00 -1.46 0.00 0.00 42.92 38.78 2jng s ASP 41 CO 0.00 -1.07 -0.23 -1.61 0.52 0.00 0.00 175.17 172.77 2jng s GLU 42 N -2.41 1.42 0.04 4.34 2.02 -1.26 0.67 118.70 123.52 2jng s GLU 42 Ca 0.60 -1.11 -0.02 0.00 0.02 0.00 0.00 54.97 54.46 2jng s GLU 42 Cb -0.41 -1.66 0.01 0.00 0.10 0.00 0.00 34.13 32.17 2jng s GLU 42 CO 0.52 0.41 0.10 0.41 0.02 0.00 0.00 175.26 176.73 2jng n GLY 43 N 1.46 1.74 3.32 -1.39 0.00 0.39 -0.35 105.19 110.35 2jng n GLY 43 Ca -0.18 -1.02 -0.26 0.00 0.00 0.00 0.00 46.02 44.56 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 1.29 -0.38 1.61 2.12 0.26 0.25 118.70 121.84 2jng s GLU 44 Ca 0.02 -1.18 -0.24 0.00 0.36 0.00 0.00 54.97 53.93 2jng s GLU 44 Cb -0.01 -1.60 0.01 0.00 0.26 0.00 0.00 34.13 32.79 2jng s GLU 44 CO 0.01 0.38 0.81 0.12 -0.54 0.00 0.00 175.26 176.05 2jng s PHE 45 N -1.05 3.09 -0.21 5.30 2.19 0.32 -1.33 117.98 126.29 2jng s PHE 45 Ca 0.09 0.55 -0.20 0.00 0.33 0.00 0.00 56.93 57.70 2jng s PHE 45 Cb -0.10 -3.49 -0.18 0.00 -1.31 0.00 0.00 43.02 37.95 2jng s PHE 45 CO 0.04 -0.79 0.13 0.54 1.83 0.00 0.00 175.22 176.97 2jng n ARG 46 N 6.53 0.56 -3.65 10.12 5.12 -1.03 -1.10 116.66 133.22 2jng n ARG 46 Ca 0.04 0.54 -0.05 0.00 -1.93 0.00 0.00 57.85 56.44 2jng n ARG 46 Cb 0.48 -1.72 -0.02 0.00 -1.16 0.00 0.00 32.46 30.05 2jng n ARG 46 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 2jng s GLN 47 N -2.38 1.01 0.17 5.56 -2.07 -1.01 -4.34 119.66 116.60 2jng s GLN 47 Ca -0.29 -0.50 -0.01 0.00 -1.82 0.00 0.00 55.36 52.73 2jng s GLN 47 Cb 0.07 0.38 -0.04 0.00 -1.09 0.00 0.00 33.01 32.33 2jng s GLN 47 CO 0.56 -0.46 0.11 -1.54 -1.32 0.00 0.00 175.29 172.64 2jng s SER 48 N -2.76 0.22 -0.49 12.60 1.04 -1.26 -0.22 113.70 122.83 2jng s SER 48 Ca 0.09 -1.28 -0.19 0.00 0.48 0.00 0.00 55.95 55.06 2jng s SER 48 Cb -0.01 0.35 0.05 0.00 0.10 0.00 0.00 66.02 66.51 2jng s SER 48 CO -0.03 -0.80 0.58 0.20 0.98 0.00 0.00 173.24 174.17 2jng s ASN 49 N -3.10 6.22 -1.07 7.02 0.02 -1.03 -4.92 114.94 118.08 2jng s ASN 49 Ca 0.31 -0.90 -0.14 0.00 -1.02 0.00 0.00 52.86 51.11 2jng s ASN 49 Cb 0.07 -2.27 -0.08 0.00 0.02 0.00 0.00 41.25 38.99 2jng s ASN 49 CO 0.07 -0.82 2.18 -3.20 0.02 0.00 0.00 177.10 175.35 2jng n ASN 50 N 5.99 4.32 0.00 -1.22 5.15 -1.26 -2.40 115.26 125.84 2jng n ASN 50 Ca -0.07 -2.60 0.00 0.00 -0.60 0.00 0.00 54.58 51.31 2jng n ASN 50 Cb 0.45 -1.28 0.00 0.00 -0.53 0.00 0.00 39.78 38.42 2jng n ASN 50 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jng n GLY 51 N 4.09 0.00 3.44 8.20 0.00 -1.26 -5.15 105.19 114.51 2jng n GLY 51 Ca 0.53 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.32 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 2.19 0.28 1.61 -7.23 -1.01 -5.07 120.40 111.18 2jng s VAL 52 Ca 0.00 -2.31 0.01 0.00 -1.81 0.00 0.00 61.98 57.87 2jng s VAL 52 Cb 0.00 -2.28 0.27 0.00 0.56 0.00 0.00 36.38 34.93 2jng s VAL 52 CO 0.00 -0.43 1.79 1.55 -0.31 0.00 0.00 175.10 177.70 2jng h PRO 53 N 2.32 0.74 -6.37 4.82 0.13 -1.94 -3.43 132.00 128.27 2jng h PRO 53 Ca -0.40 -0.04 -0.61 0.00 -0.87 0.00 0.00 66.00 64.08 2jng h PRO 53 Cb 1.25 -0.17 0.04 0.00 0.13 0.00 0.00 31.00 32.25 2jng h PRO 53 CO 0.62 0.49 0.94 -0.35 -0.23 0.00 0.00 178.00 179.47 2jng n PRO 54 N -4.77 2.10 -4.63 1.56 -0.04 -1.26 -3.94 135.00 124.01 2jng n PRO 54 Ca 0.19 0.76 -0.23 0.00 -0.04 0.00 0.00 63.50 64.19 2jng n PRO 54 Cb 0.45 -2.56 -0.15 0.00 -0.04 0.00 0.00 33.50 31.19 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 2.55 1.12 -0.49 0.52 0.11 -1.17 -2.46 120.40 120.57 2jng s VAL 55 Ca 0.86 -0.57 -0.20 0.00 -2.93 0.00 0.00 61.98 59.14 2jng s VAL 55 Cb -0.71 -0.95 0.04 0.00 -1.53 0.00 0.00 36.38 33.24 2jng s VAL 55 CO 0.46 0.32 0.67 -1.58 -3.33 0.00 0.00 175.10 171.64 2jng s GLN 56 N -0.09 3.20 -0.02 1.54 2.00 0.69 -0.43 119.66 126.55 2jng s GLN 56 Ca 0.01 -0.63 0.06 0.00 -2.00 0.00 0.00 55.36 52.80 2jng s GLN 56 Cb -0.08 -4.04 -0.01 0.00 0.80 0.00 0.00 33.01 29.68 2jng s GLN 56 CO 0.00 -1.17 -0.20 0.08 -0.50 0.00 0.00 175.29 173.50 2jng s VAL 57 N 2.85 1.58 -0.29 1.34 1.01 -0.24 -2.41 120.40 124.23 2jng s VAL 57 Ca 0.20 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 61.18 2jng s VAL 57 Cb -0.16 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2jng s VAL 57 CO 0.15 0.45 0.32 0.12 0.00 0.00 0.00 175.10 176.14 2jng s PHE 58 N -0.44 3.23 -0.23 5.22 5.36 -0.44 -0.32 117.98 130.36 2jng s PHE 58 Ca 0.07 0.20 -0.16 0.00 -0.96 0.00 0.00 56.93 56.09 2jng s PHE 58 Cb -0.08 -2.55 -0.04 0.00 -0.34 0.00 0.00 43.02 40.01 2jng s PHE 58 CO -0.01 -0.27 0.40 -1.58 -1.46 0.00 0.00 175.22 172.30 2jng s TRP 59 N 1.97 3.31 -0.02 10.12 0.52 -0.41 -0.58 118.94 133.85 2jng s TRP 59 Ca 0.12 0.53 -0.26 0.00 0.02 0.00 0.00 56.10 56.52 2jng s TRP 59 Cb -0.16 -2.56 -0.20 0.00 -1.15 0.00 0.00 33.47 29.40 2jng s TRP 59 CO 0.11 -0.12 1.25 1.49 0.02 0.00 0.00 176.95 179.70 2jng h GLU 60 N 7.74 0.03 -0.30 4.98 4.57 -1.01 0.45 114.58 131.04 2jng h GLU 60 Ca -0.34 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 57.75 2jng h GLU 60 Cb 1.16 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.73 2jng h GLU 60 CO 0.69 0.53 -0.15 0.66 -1.18 0.00 0.00 179.01 179.56 2jng h SER 61 N -0.46 0.52 0.00 1.04 4.64 -1.94 -3.02 113.55 114.33 2jng h SER 61 Ca 0.00 -0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 61.10 2jng h SER 61 Cb 0.53 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 2jng h SER 61 CO 0.00 0.69 -0.40 0.71 -0.87 0.00 0.00 176.83 176.96 2jng h THR 62 N 0.48 1.43 0.00 2.95 1.35 -1.90 -3.49 112.91 113.74 2jng h THR 62 Ca 0.08 -2.23 0.00 0.00 -0.55 0.00 0.00 66.41 63.72 2jng h THR 62 Cb 0.55 2.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.82 2jng h THR 62 CO 0.03 0.49 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 2jng n GLY 63 N 1.56 1.08 3.32 5.82 0.00 0.16 -5.09 105.19 112.04 2jng n GLY 63 Ca -0.17 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.45 2.05 0.08 1.61 1.81 -1.13 -4.93 118.95 117.99 2jng s ARG 64 Ca 0.00 -0.97 -0.24 0.00 -1.72 0.00 0.00 55.73 52.81 2jng s ARG 64 Cb 0.00 -2.04 -0.06 0.00 -0.45 0.00 0.00 34.95 32.40 2jng s ARG 64 CO 0.00 0.55 0.72 0.99 -0.68 0.00 0.00 175.30 176.88 2jng s THR 65 N -0.66 4.64 -0.01 0.02 2.01 -1.26 -1.29 115.64 119.09 2jng s THR 65 Ca 0.10 1.54 -0.05 0.00 0.31 0.00 0.00 61.69 63.60 2jng s THR 65 Cb -0.10 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.35 2jng s THR 65 CO -0.00 0.45 0.09 -0.47 -0.69 0.00 0.00 174.62 174.00 2jng s TYR 66 N -0.57 0.03 -0.37 4.92 5.04 0.57 -4.97 117.35 122.00 2jng s TYR 66 Ca 0.35 -0.06 -0.22 0.00 -2.44 0.00 0.00 57.07 54.71 2jng s TYR 66 Cb -0.21 -0.04 0.01 0.00 0.35 0.00 0.00 41.96 42.07 2jng s TYR 66 CO 0.23 -0.18 0.72 -1.58 -1.34 0.00 0.00 175.55 173.39 2jng s TRP 67 N -0.87 3.11 0.00 4.97 0.51 -1.25 -1.08 118.94 124.34 2jng s TRP 67 Ca -0.10 0.41 0.00 0.00 -2.12 0.00 0.00 56.10 54.29 2jng s TRP 67 Cb -0.06 -3.32 0.00 0.00 -0.81 0.00 0.00 33.47 29.28 2jng s TRP 67 CO 0.01 -0.72 0.00 0.28 -0.51 0.00 0.00 176.95 176.00 2jng n VAL 68 N 5.75 0.00 -3.93 4.03 0.31 0.43 -4.75 118.33 120.17 2jng n VAL 68 Ca 0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.19 2jng n VAL 68 Cb 0.48 -0.46 -0.15 0.00 -0.91 0.00 0.00 33.84 32.80 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 2.21 0.23 0.23 3.52 3.76 -1.26 -3.07 115.29 120.90 2jng s HIS 69 Ca 0.00 0.00 -0.07 0.00 -0.15 0.00 0.00 55.06 54.84 2jng s HIS 69 Cb 0.00 -0.27 0.37 0.00 1.11 0.00 0.00 32.58 33.78 2jng s HIS 69 CO 0.00 -0.07 1.73 -1.49 -0.85 0.00 0.00 174.74 174.05 2jng h TRP 70 N 6.79 0.40 0.00 1.40 4.06 -1.96 -1.93 115.95 124.70 2jng h TRP 70 Ca -0.36 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.62 2jng h TRP 70 Cb 1.16 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 29.25 2jng h TRP 70 CO 0.47 0.05 0.00 -2.39 -3.56 0.00 0.00 178.44 173.01 2jng n HIS 71 N -5.03 0.24 -0.41 0.49 1.44 -1.26 -1.96 115.22 108.72 2jng n HIS 71 Ca 0.11 0.10 0.06 0.00 -2.01 0.00 0.00 57.72 55.98 2jng n HIS 71 Cb 0.35 -0.66 0.17 0.00 0.12 0.00 0.00 29.99 29.97 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 -1.72 2.84 -3.69 -1.40 0.00 -0.73 -4.86 117.12 107.55 2jng n MET 72 Ca 0.03 -2.23 -0.36 0.00 0.00 0.00 0.00 57.70 55.14 2jng n MET 72 Cb 0.17 -1.41 -0.08 0.00 0.00 0.00 0.00 33.22 31.90 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 -1.56 4.18 -0.23 3.17 1.43 -0.83 -2.02 118.68 122.82 2jng s LEU 73 Ca 0.26 0.20 -0.10 0.00 -1.03 0.00 0.00 54.13 53.46 2jng s LEU 73 Cb 0.17 -2.11 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 2jng s LEU 73 CO 0.12 0.14 0.16 -0.70 0.23 0.00 0.00 176.35 176.29 2jng s GLU 74 N 0.61 4.08 -0.08 1.70 2.56 0.96 -4.91 118.70 123.63 2jng s GLU 74 Ca 0.08 -0.26 -0.27 0.00 0.00 0.00 0.00 54.97 54.52 2jng s GLU 74 Cb -0.12 -3.52 -0.03 0.00 2.00 0.00 0.00 34.13 32.46 2jng s GLU 74 CO 0.00 0.09 0.86 -1.50 -0.56 0.00 0.00 175.26 174.16 2jng s ILE 75 N 0.97 4.91 -0.15 -3.70 2.07 -1.26 0.32 121.20 124.36 2jng s ILE 75 Ca 0.08 1.76 0.16 0.00 -1.41 0.00 0.00 60.65 61.24 2jng s ILE 75 Cb -0.13 -4.19 0.43 0.00 0.13 0.00 0.00 42.46 38.70 2jng s ILE 75 CO 0.04 0.13 1.20 0.18 -1.91 0.00 0.00 174.94 174.57 2jng n LEU 76 N 4.37 2.28 0.00 8.50 4.77 0.31 -4.89 117.00 132.35 2jng n LEU 76 Ca 0.04 -3.33 -0.18 0.00 -0.03 0.00 0.00 56.01 52.51 2jng n LEU 76 Cb 0.50 -0.31 0.14 0.00 -2.33 0.00 0.00 43.42 41.42 2jng n LEU 76 CO 0.50 1.16 0.43 0.61 -1.33 0.00 0.00 177.39 178.75 2jng n GLY 77 N -0.56 -2.20 2.31 -0.72 0.00 -1.03 -4.06 105.19 98.92 2jng n GLY 77 Ca 0.16 -1.55 -0.16 0.00 0.00 0.00 0.00 46.02 44.47 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 -3.65 -0.76 0.25 1.61 3.72 -1.26 -4.84 117.46 112.52 2jng n PHE 78 Ca 0.10 0.01 0.12 0.00 -0.05 0.00 0.00 57.45 57.62 2jng n PHE 78 Cb 0.36 -3.26 0.67 0.00 -0.94 0.00 0.00 39.48 36.30 2jng n PHE 78 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 2jng h GLU 79 N -0.02 0.00 -0.00 -1.08 4.11 -1.87 -3.52 114.58 112.20 2jng h GLU 79 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.05 2jng h GLU 79 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2jng h GLU 79 CO 0.44 0.15 0.00 -1.91 0.07 0.00 0.00 179.01 177.76