#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 0.31 0.00 2.12 -0.00 -1.91 -2.77 114.38 112.12 2jng h ARG 5 Ca 0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 59.98 59.41 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 0.43 0.00 -1.13 0.00 0.00 0.00 179.97 179.27 2jng n SER 6 N -4.79 0.00 0.22 7.04 3.41 -1.26 -2.16 113.62 116.09 2jng n SER 6 Ca -0.04 -1.05 0.12 0.00 -0.26 0.00 0.00 58.87 57.64 2jng n SER 6 Cb 0.16 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.31 2jng n SER 6 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2jng h GLU 7 N 0.00 0.00 -7.51 4.33 4.39 -1.84 -3.43 114.58 110.52 2jng h GLU 7 Ca 0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 2jng h GLU 7 Cb 0.00 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 28.75 2jng h GLU 7 CO 0.00 0.02 0.38 -0.06 -1.16 0.00 0.00 179.01 178.19 2jng s PHE 8 N -3.23 2.99 0.23 4.33 0.40 -0.92 -4.95 117.98 116.84 2jng s PHE 8 Ca 0.06 0.94 -0.07 0.00 -0.60 0.00 0.00 56.93 57.26 2jng s PHE 8 Cb 0.05 -3.27 0.38 0.00 0.51 0.00 0.00 43.02 40.70 2jng s PHE 8 CO 0.66 -1.66 1.71 0.00 0.70 0.00 0.00 175.22 176.63 2jng h ALA 9 N -0.99 0.87 -0.00 5.36 0.00 -1.89 -2.73 119.26 119.88 2jng h ALA 9 Ca -0.46 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2jng h ALA 9 Cb 1.29 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2jng h ALA 9 CO 0.63 -0.28 -0.00 0.45 0.00 0.00 0.00 179.25 180.05 2jng n SER 10 N -5.10 1.26 0.00 0.00 2.88 -1.26 -5.01 113.62 106.40 2jng n SER 10 Ca 0.12 -1.13 0.00 0.00 -1.33 0.00 0.00 58.87 56.53 2jng n SER 10 Cb 0.38 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 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 0.19 1.29 0.32 0.46 0.00 -1.03 -4.43 105.19 101.99 2jng n GLY 11 Ca 0.02 -0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.03 1.61 4.21 -1.91 -2.44 115.58 116.02 2jng h ASN 12 Ca 0.00 0.00 0.29 0.00 1.21 0.00 0.00 56.30 57.80 2jng h ASN 12 Cb 0.00 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.15 2jng h ASN 12 CO 0.00 0.00 0.73 0.74 -1.29 0.00 0.00 177.43 177.61 2jng h THR 13 N 0.00 0.49 0.43 2.81 2.02 -1.88 0.13 112.91 116.91 2jng h THR 13 Ca 0.03 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 2jng h THR 13 Cb 0.21 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 2jng h THR 13 CO -0.00 0.01 -0.21 0.22 0.37 0.00 0.00 175.52 175.91 2jng h TYR 14 N 0.06 -0.53 0.00 3.16 3.20 -1.71 0.22 116.97 121.37 2jng h TYR 14 Ca 0.50 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.33 2jng h TYR 14 Cb 1.91 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 40.35 2jng h TYR 14 CO -0.00 -0.27 -0.17 0.00 -1.64 0.00 0.00 178.16 176.08 2jng h ALA 15 N -0.17 1.71 -0.12 1.82 0.00 -1.10 -1.18 119.26 120.23 2jng h ALA 15 Ca -0.06 -0.15 -0.22 0.00 0.00 0.00 0.00 54.91 54.48 2jng h ALA 15 Cb 0.50 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.27 2jng h ALA 15 CO 0.10 0.21 -0.80 1.25 0.00 0.00 0.00 179.25 180.00 2jng h LEU 16 N 0.00 0.85 0.23 0.00 5.85 -0.64 -2.44 115.31 119.16 2jng h LEU 16 Ca -0.00 -0.57 -0.01 0.00 0.84 0.00 0.00 57.88 58.13 2jng h LEU 16 Cb 0.30 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2jng h LEU 16 CO 0.02 1.37 -0.11 0.22 -0.34 0.00 0.00 178.44 179.60 2jng h TYR 17 N 0.48 -0.29 -0.74 1.25 5.03 -0.03 -3.20 116.97 119.46 2jng h TYR 17 Ca -0.06 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.25 2jng h TYR 17 Cb 1.42 0.09 -0.04 0.00 1.55 0.00 0.00 36.73 39.76 2jng h TYR 17 CO 0.08 0.00 0.46 -0.39 -1.32 0.00 0.00 178.16 176.99 2jng h VAL 18 N -0.57 1.20 -0.21 1.81 -1.51 -1.29 -1.23 116.25 114.44 2jng h VAL 18 Ca -0.03 -0.43 0.06 0.00 -1.23 0.00 0.00 66.70 65.07 2jng h VAL 18 Cb 0.42 0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 29.72 2jng h VAL 18 CO 0.05 0.21 0.17 -0.09 -1.23 0.00 0.00 177.57 176.68 2jng h ARG 19 N 1.02 0.00 0.06 5.19 1.12 -1.44 0.26 114.38 120.60 2jng h ARG 19 Ca 0.27 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 59.14 2jng h ARG 19 Cb -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.90 2jng h ARG 19 CO -0.05 0.00 -0.03 0.22 -3.11 0.00 0.00 179.97 177.00 2jng h ASP 20 N 0.00 -0.07 0.68 -3.80 3.58 -1.23 -3.37 116.42 112.21 2jng h ASP 20 Ca 0.10 -0.56 -0.26 0.00 0.42 0.00 0.00 57.03 56.72 2jng h ASP 20 Cb 0.43 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 2jng h ASP 20 CO -0.00 0.60 -1.35 0.74 -2.88 0.00 0.00 179.24 176.35 2jng h THR 21 N -0.83 1.32 -1.49 2.25 2.02 -1.38 -3.43 112.91 111.38 2jng h THR 21 Ca -0.01 -3.03 -0.41 0.00 0.77 0.00 0.00 66.41 63.73 2jng h THR 21 Cb 0.63 2.73 -0.03 0.00 -1.74 0.00 0.00 68.15 69.74 2jng h THR 21 CO 0.01 0.81 1.13 -0.22 0.37 0.00 0.00 175.52 177.63 2jng s LEU 22 N -6.69 3.24 0.50 2.58 2.96 0.89 -4.95 118.68 117.21 2jng s LEU 22 Ca -0.04 0.10 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 2jng s LEU 22 Cb 0.08 -2.54 0.01 0.00 0.50 0.00 0.00 46.19 44.25 2jng s LEU 22 CO 0.84 -2.62 0.72 -1.10 -1.32 0.00 0.00 176.35 172.87 2jng s GLN 23 N 7.25 2.80 0.20 1.98 -0.21 -1.26 -4.88 119.66 125.54 2jng s GLN 23 Ca 0.72 -0.64 -0.31 0.00 0.02 0.00 0.00 55.36 55.15 2jng s GLN 23 Cb -0.11 -2.53 -0.11 0.00 1.00 0.00 0.00 33.01 31.26 2jng s GLN 23 CO 0.14 -0.49 1.61 -2.14 -2.12 0.00 0.00 175.29 172.29 2jng s PRO 24 N -4.66 4.18 0.00 2.91 0.02 -1.26 -1.87 135.00 134.33 2jng s PRO 24 Ca 0.53 2.45 0.00 0.00 0.02 0.00 0.00 61.00 64.00 2jng s PRO 24 Cb -0.10 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.30 2jng s PRO 24 CO 0.38 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.82 2jng n GLY 25 N 3.55 0.28 3.73 0.52 0.00 0.14 -4.99 105.19 108.41 2jng n GLY 25 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.92 4.52 0.39 1.61 0.00 -0.78 -4.77 119.30 119.35 2jng s MET 26 Ca 0.00 1.14 -0.21 0.00 0.00 0.00 0.00 55.69 56.62 2jng s MET 26 Cb 0.00 -3.41 -0.10 0.00 0.00 0.00 0.00 34.83 31.32 2jng s MET 26 CO 0.00 0.14 0.91 1.03 0.00 0.00 0.00 175.02 177.10 2jng s ARG 27 N 0.43 4.26 0.12 4.11 0.52 -1.25 -0.90 118.95 126.23 2jng s ARG 27 Ca 0.42 1.08 0.03 0.00 -0.52 0.00 0.00 55.73 56.74 2jng s ARG 27 Cb -0.20 -2.36 -0.04 0.00 0.52 0.00 0.00 34.95 32.87 2jng s ARG 27 CO 0.24 0.07 -0.09 0.14 0.02 0.00 0.00 175.30 175.68 2jng s VAL 28 N -2.02 0.97 -0.10 3.52 -7.23 0.14 -2.40 120.40 113.28 2jng s VAL 28 Ca 0.58 -1.95 0.04 0.00 -1.81 0.00 0.00 61.98 58.84 2jng s VAL 28 Cb -0.11 -1.71 0.00 0.00 0.56 0.00 0.00 36.38 35.12 2jng s VAL 28 CO 0.16 -0.76 -0.23 -0.60 -0.31 0.00 0.00 175.10 173.36 2jng s ARG 29 N -3.61 3.00 -0.14 4.82 3.52 0.01 -0.93 118.95 125.62 2jng s ARG 29 Ca 0.13 -0.86 -0.29 0.00 -0.13 0.00 0.00 55.73 54.58 2jng s ARG 29 Cb 0.03 -2.29 -0.02 0.00 -1.56 0.00 0.00 34.95 31.11 2jng s ARG 29 CO -0.01 0.14 1.24 1.41 -0.81 0.00 0.00 175.30 177.27 2jng s MET 30 N 0.43 4.26 0.00 5.12 -2.45 0.35 0.17 119.30 127.19 2jng s MET 30 Ca -0.17 1.66 0.24 0.00 -1.25 0.00 0.00 55.69 56.17 2jng s MET 30 Cb -0.18 -3.71 0.38 0.00 1.25 0.00 0.00 34.83 32.57 2jng s MET 30 CO 0.07 -0.64 1.33 1.28 1.05 0.00 0.00 175.02 178.11 2jng n LEU 31 N 6.25 0.74 -3.83 4.11 4.77 -0.54 -0.07 117.00 128.43 2jng n LEU 31 Ca 0.13 -0.17 -0.10 0.00 -0.03 0.00 0.00 56.01 55.84 2jng n LEU 31 Cb 0.45 -0.17 -0.08 0.00 -2.33 0.00 0.00 43.42 41.29 2jng n LEU 31 CO 0.56 0.17 -0.07 -0.62 -1.33 0.00 0.00 177.39 176.09 2jng s ASP 32 N -2.90 0.02 -0.06 -1.43 2.15 -1.26 -4.73 116.67 108.44 2jng s ASP 32 Ca 0.13 -0.38 -0.23 0.00 0.43 0.00 0.00 52.55 52.50 2jng s ASP 32 Cb 0.17 0.31 -0.04 0.00 -0.30 0.00 0.00 42.92 43.07 2jng s ASP 32 CO 0.70 -0.60 0.67 -0.62 -0.17 0.00 0.00 175.17 175.15 2jng s ASP 33 N -2.23 6.96 -0.30 -0.34 2.15 -1.26 -3.27 116.67 118.38 2jng s ASP 33 Ca -0.03 1.15 0.04 0.00 0.43 0.00 0.00 52.55 54.14 2jng s ASP 33 Cb 0.00 -2.40 0.17 0.00 -0.30 0.00 0.00 42.92 40.40 2jng s ASP 33 CO -0.05 -0.08 0.47 -0.47 -0.17 0.00 0.00 175.17 174.87 2jng s TYR 34 N 0.67 -1.26 0.00 -5.34 5.04 0.19 -4.94 117.35 111.72 2jng s TYR 34 Ca 0.36 0.47 0.00 0.00 -2.44 0.00 0.00 57.07 55.46 2jng s TYR 34 Cb -0.18 -0.01 0.00 0.00 0.35 0.00 0.00 41.96 42.12 2jng s TYR 34 CO 0.17 -1.03 0.00 0.39 -1.34 0.00 0.00 175.55 173.75 2jng n GLU 35 N 5.26 0.00 0.00 4.97 1.02 -1.26 -2.34 120.64 128.29 2jng n GLU 35 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2jng n GLU 35 Cb 0.51 -4.04 0.00 0.00 -0.02 0.00 0.00 31.44 27.89 2jng n GLU 35 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2jng n GLU 36 N -1.67 0.00 -3.66 3.49 2.13 -1.26 -5.14 120.64 114.53 2jng n GLU 36 Ca 0.00 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.48 2jng n GLU 36 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 2jng n GLU 36 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2jng s ILE 37 N 0.00 5.18 0.25 6.31 -1.09 -0.99 -5.06 121.20 125.80 2jng s ILE 37 Ca 0.00 0.23 0.10 0.00 -2.23 0.00 0.00 60.65 58.74 2jng s ILE 37 Cb 0.00 -3.62 -0.05 0.00 -1.58 0.00 0.00 42.46 37.21 2jng s ILE 37 CO 0.00 0.23 -0.16 -0.44 -1.23 0.00 0.00 174.94 173.34 2jng s SER 38 N -1.97 3.13 0.10 3.58 0.01 -1.26 0.57 113.70 117.86 2jng s SER 38 Ca 0.34 -1.05 -0.31 0.00 1.31 0.00 0.00 55.95 56.24 2jng s SER 38 Cb -0.13 -0.23 -0.10 0.00 0.21 0.00 0.00 66.02 65.77 2jng s SER 38 CO 0.20 -0.09 1.83 0.00 0.41 0.00 0.00 173.24 175.59 2jng s ALA 39 N -2.74 3.73 0.00 1.44 0.00 -1.20 -1.59 121.76 121.39 2jng s ALA 39 Ca 0.27 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.63 2jng s ALA 39 Cb -0.02 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.33 2jng s ALA 39 CO 0.12 -1.27 0.00 0.41 0.00 0.00 0.00 175.76 175.02 2jng n GLY 40 N 4.25 1.64 3.77 0.00 0.00 0.90 -4.95 105.19 110.80 2jng n GLY 40 Ca 0.18 0.00 -0.41 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 -1.68 6.58 0.03 1.61 -1.08 -0.62 -4.78 116.67 116.73 2jng s ASP 41 Ca 0.00 2.81 0.04 0.00 -0.52 0.00 0.00 52.55 54.87 2jng s ASP 41 Cb 0.00 -2.65 -0.04 0.00 -1.46 0.00 0.00 42.92 38.77 2jng s ASP 41 CO 0.00 -0.68 -0.06 -1.61 0.52 0.00 0.00 175.17 173.34 2jng s GLU 42 N -1.94 2.50 0.30 4.34 2.02 -1.26 -0.49 118.70 124.16 2jng s GLU 42 Ca 0.51 -0.78 -0.08 0.00 0.02 0.00 0.00 54.97 54.65 2jng s GLU 42 Cb -0.42 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.33 2jng s GLU 42 CO 0.56 0.58 0.49 0.20 0.02 0.00 0.00 175.26 177.11 2jng s GLY 43 N -1.63 1.01 0.01 -1.39 0.00 -0.10 -0.39 107.32 104.83 2jng s GLY 43 Ca 0.19 -1.21 0.08 0.00 0.00 0.00 0.00 44.72 43.78 2jng s GLY 43 CO 0.10 -0.81 -0.23 1.85 0.00 0.00 0.00 173.10 174.01 2jng s GLU 44 N -3.43 1.69 -0.32 2.90 2.12 0.23 0.29 118.70 122.18 2jng s GLU 44 Ca 0.26 -0.91 -0.24 0.00 0.36 0.00 0.00 54.97 54.44 2jng s GLU 44 Cb -0.01 -1.73 0.00 0.00 0.26 0.00 0.00 34.13 32.66 2jng s GLU 44 CO 0.15 0.46 0.84 0.12 -0.54 0.00 0.00 175.26 176.29 2jng s PHE 45 N -0.67 3.18 -0.20 5.30 5.36 -0.08 -0.26 117.98 130.61 2jng s PHE 45 Ca 0.09 0.85 -0.17 0.00 -0.96 0.00 0.00 56.93 56.74 2jng s PHE 45 Cb -0.09 -3.33 -0.13 0.00 -0.34 0.00 0.00 43.02 39.13 2jng s PHE 45 CO 0.01 -0.63 -0.01 0.54 -1.46 0.00 0.00 175.22 173.67 2jng n ARG 46 N 6.36 0.53 -3.59 10.12 5.12 -0.87 -0.68 116.66 133.65 2jng n ARG 46 Ca 0.05 0.50 -0.06 0.00 -1.93 0.00 0.00 57.85 56.42 2jng n ARG 46 Cb 0.48 -1.68 -0.02 0.00 -1.16 0.00 0.00 32.46 30.08 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 0.81 0.11 5.56 1.03 -1.03 -4.68 119.66 119.08 2jng s GLN 47 Ca -0.26 -0.36 0.09 0.00 0.04 0.00 0.00 55.36 54.86 2jng s GLN 47 Cb 0.06 0.33 -0.04 0.00 0.03 0.00 0.00 33.01 33.39 2jng s GLN 47 CO 0.46 -0.36 -0.21 -1.54 -2.54 0.00 0.00 175.29 171.10 2jng s SER 48 N -2.60 2.66 -0.17 12.60 1.04 -1.26 -0.42 113.70 125.54 2jng s SER 48 Ca 0.08 -0.72 -0.23 0.00 0.48 0.00 0.00 55.95 55.56 2jng s SER 48 Cb -0.01 -0.15 -0.02 0.00 0.10 0.00 0.00 66.02 65.94 2jng s SER 48 CO -0.05 0.06 0.75 0.20 0.98 0.00 0.00 173.24 175.18 2jng s ASN 49 N -2.03 6.86 0.05 7.02 0.02 -0.96 -4.95 114.94 120.95 2jng s ASN 49 Ca 0.09 1.05 -0.30 0.00 -1.02 0.00 0.00 52.86 52.67 2jng s ASN 49 Cb -0.09 -2.41 -0.08 0.00 0.02 0.00 0.00 41.25 38.68 2jng s ASN 49 CO 0.05 -0.33 1.79 0.20 0.02 0.00 0.00 177.10 178.82 2jng s ASN 50 N 1.15 6.53 0.00 -1.22 -0.87 -1.26 -2.60 114.94 116.67 2jng s ASN 50 Ca 0.35 2.56 0.00 0.00 -1.57 0.00 0.00 52.86 54.19 2jng s ASN 50 Cb -0.16 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.52 2jng s ASN 50 CO 0.12 -0.97 0.00 0.61 -2.57 0.00 0.00 177.10 174.29 2jng n GLY 51 N 4.24 2.42 3.83 0.66 0.00 -1.26 -4.99 105.19 110.10 2jng n GLY 51 Ca 0.18 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.03 4.62 0.20 1.61 -7.23 -1.07 -5.05 120.40 112.46 2jng s VAL 52 Ca 0.00 -1.13 -0.10 0.00 -1.81 0.00 0.00 61.98 58.94 2jng s VAL 52 Cb 0.00 -3.42 0.14 0.00 0.56 0.00 0.00 36.38 33.66 2jng s VAL 52 CO 0.00 -0.20 1.74 -0.65 -0.31 0.00 0.00 175.10 175.68 2jng h PRO 53 N 2.00 0.37 -6.30 4.82 0.11 -1.94 -3.41 132.00 127.64 2jng h PRO 53 Ca -0.48 -0.02 -0.66 0.00 0.11 0.00 0.00 66.00 64.94 2jng h PRO 53 Cb 1.21 -0.08 0.05 0.00 0.11 0.00 0.00 31.00 32.29 2jng h PRO 53 CO 0.63 0.24 0.63 -0.35 -0.21 0.00 0.00 178.00 178.94 2jng n PRO 54 N -5.02 1.41 -4.66 1.05 -0.04 -1.26 -4.44 135.00 122.04 2jng n PRO 54 Ca 0.08 0.51 -0.23 0.00 -0.04 0.00 0.00 63.50 63.82 2jng n PRO 54 Cb 0.27 -2.20 -0.15 0.00 -0.04 0.00 0.00 33.50 31.38 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 1.22 1.15 -0.42 0.52 0.11 -1.13 -2.26 120.40 119.59 2jng s VAL 55 Ca 0.86 -0.60 -0.16 0.00 -2.93 0.00 0.00 61.98 59.15 2jng s VAL 55 Cb -0.90 -0.97 0.02 0.00 -1.53 0.00 0.00 36.38 33.00 2jng s VAL 55 CO 0.48 0.33 0.38 -1.58 -3.33 0.00 0.00 175.10 171.38 2jng s GLN 56 N -0.17 3.04 -0.06 1.54 2.00 0.44 -1.67 119.66 124.77 2jng s GLN 56 Ca 0.02 -0.88 0.04 0.00 -2.00 0.00 0.00 55.36 52.54 2jng s GLN 56 Cb -0.07 -3.97 -0.00 0.00 0.80 0.00 0.00 33.01 29.76 2jng s GLN 56 CO 0.00 -0.81 -0.19 0.08 -0.50 0.00 0.00 175.29 173.87 2jng s VAL 57 N 1.93 1.64 -0.39 1.34 1.01 -0.48 -2.04 120.40 123.40 2jng s VAL 57 Ca 0.09 -0.81 -0.21 0.00 0.00 0.00 0.00 61.98 61.05 2jng s VAL 57 Cb -0.18 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.79 2jng s VAL 57 CO 0.12 0.47 0.67 0.12 0.00 0.00 0.00 175.10 176.48 2jng s PHE 58 N 0.21 3.10 -0.23 5.22 5.36 0.64 -0.69 117.98 131.59 2jng s PHE 58 Ca -0.10 0.24 -0.15 0.00 -0.96 0.00 0.00 56.93 55.96 2jng s PHE 58 Cb -0.14 -3.29 -0.04 0.00 -0.34 0.00 0.00 43.02 39.21 2jng s PHE 58 CO 0.05 -0.75 0.35 -1.58 -1.46 0.00 0.00 175.22 171.83 2jng s TRP 59 N 2.85 3.32 -0.14 10.12 0.52 -0.02 0.75 118.94 136.34 2jng s TRP 59 Ca 0.25 0.47 0.16 0.00 0.02 0.00 0.00 56.10 57.00 2jng s TRP 59 Cb -0.14 -2.50 -0.01 0.00 -1.15 0.00 0.00 33.47 29.67 2jng s TRP 59 CO 0.17 -0.08 1.22 1.05 0.02 0.00 0.00 176.95 179.33 2jng h GLU 60 N 7.70 0.00 -0.19 4.98 -0.00 -1.01 0.31 114.58 126.38 2jng h GLU 60 Ca -0.35 0.00 -0.15 0.00 -0.00 0.00 0.00 59.36 58.86 2jng h GLU 60 Cb 1.16 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.91 2jng h GLU 60 CO 0.68 0.43 -0.53 1.03 -0.00 0.00 0.00 179.01 180.62 2jng h SER 61 N 0.00 0.59 0.10 3.06 0.87 -1.94 -3.24 113.55 113.00 2jng h SER 61 Ca -0.06 -0.31 -0.37 0.00 -1.23 0.00 0.00 61.79 59.83 2jng h SER 61 Cb 1.45 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 63.21 2jng h SER 61 CO 0.06 1.01 -2.10 0.35 -0.53 0.00 0.00 176.83 175.62 2jng n THR 62 N -3.97 1.72 -0.64 2.23 -2.24 -1.24 -5.02 114.28 105.13 2jng n THR 62 Ca -0.03 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 2jng n THR 62 Cb 0.59 -1.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 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 2.05 1.47 3.06 3.38 0.00 0.11 -5.09 105.19 110.17 2jng n GLY 63 Ca -0.35 -0.29 -0.10 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 -1.95 0.54 0.32 1.61 0.52 -0.94 -4.97 118.95 114.08 2jng s ARG 64 Ca 0.00 -0.92 -0.20 0.00 -0.52 0.00 0.00 55.73 54.09 2jng s ARG 64 Cb 0.00 -0.04 -0.09 0.00 0.52 0.00 0.00 34.95 35.34 2jng s ARG 64 CO 0.00 -0.03 0.83 0.95 0.02 0.00 0.00 175.30 177.07 2jng s THR 65 N -2.40 4.48 -0.08 0.02 -4.23 -1.26 -0.84 115.64 111.34 2jng s THR 65 Ca -0.04 1.35 -0.19 0.00 -1.18 0.00 0.00 61.69 61.64 2jng s THR 65 Cb -0.03 -3.76 0.04 0.00 1.34 0.00 0.00 72.50 70.09 2jng s THR 65 CO -0.03 -0.05 0.44 -0.47 -0.54 0.00 0.00 174.62 173.97 2jng s TYR 66 N -1.83 -0.39 -0.35 3.99 5.04 0.13 -4.94 117.35 118.99 2jng s TYR 66 Ca 0.52 0.78 -0.17 0.00 -2.44 0.00 0.00 57.07 55.76 2jng s TYR 66 Cb -0.13 0.19 -0.00 0.00 0.35 0.00 0.00 41.96 42.36 2jng s TYR 66 CO 0.19 -0.38 0.46 -1.58 -1.34 0.00 0.00 175.55 172.89 2jng s TRP 67 N -0.75 3.19 0.51 4.97 0.51 -1.25 -1.39 118.94 124.73 2jng s TRP 67 Ca -0.08 0.07 0.04 0.00 -2.12 0.00 0.00 56.10 54.01 2jng s TRP 67 Cb -0.03 -2.85 0.00 0.00 -0.81 0.00 0.00 33.47 29.78 2jng s TRP 67 CO 0.04 -0.52 0.19 0.08 -0.51 0.00 0.00 176.95 176.23 2jng s VAL 68 N 2.26 1.52 -0.07 4.03 1.01 -0.67 -4.80 120.40 123.68 2jng s VAL 68 Ca 0.16 -1.75 -0.16 0.00 0.00 0.00 0.00 61.98 60.23 2jng s VAL 68 Cb -0.16 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 2jng s VAL 68 CO 0.13 0.00 0.41 -1.00 0.00 0.00 0.00 175.10 174.64 2jng s HIS 69 N -2.80 3.60 0.23 5.22 3.76 -1.26 -2.83 115.29 121.21 2jng s HIS 69 Ca 0.22 0.89 -0.09 0.00 -0.15 0.00 0.00 55.06 55.93 2jng s HIS 69 Cb 0.01 -2.39 0.36 0.00 1.11 0.00 0.00 32.58 31.66 2jng s HIS 69 CO 0.13 0.40 1.66 -1.49 -0.85 0.00 0.00 174.74 174.59 2jng h TRP 70 N 5.78 0.02 0.00 1.40 4.06 -1.96 -1.14 115.95 124.10 2jng h TRP 70 Ca -0.46 0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.54 2jng h TRP 70 Cb 1.20 0.10 0.00 0.00 -1.00 0.00 0.00 29.16 29.45 2jng h TRP 70 CO 0.66 -0.17 0.00 -2.39 -3.56 0.00 0.00 178.44 172.98 2jng n HIS 71 N -5.27 0.00 1.01 0.49 1.44 -1.26 -1.86 115.22 109.77 2jng n HIS 71 Ca 0.11 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.93 2jng n HIS 71 Cb 0.41 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.51 2jng n HIS 71 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 2jng n MET 72 N -0.80 0.22 -4.09 -1.40 2.81 -0.43 -4.93 117.12 108.50 2jng n MET 72 Ca 0.09 -0.17 -0.36 0.00 -1.81 0.00 0.00 57.70 55.45 2jng n MET 72 Cb 0.04 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 30.97 2jng n MET 72 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2jng s LEU 73 N -2.90 3.94 -0.10 4.03 1.02 -0.78 -1.46 118.68 122.42 2jng s LEU 73 Ca 0.11 0.24 -0.13 0.00 0.02 0.00 0.00 54.13 54.37 2jng s LEU 73 Cb 0.17 -1.95 -0.05 0.00 0.02 0.00 0.00 46.19 44.38 2jng s LEU 73 CO 0.78 0.33 0.31 -0.70 0.02 0.00 0.00 176.35 177.09 2jng s GLU 74 N -0.57 4.01 -0.47 1.70 2.12 0.13 -4.92 118.70 120.69 2jng s GLU 74 Ca 0.11 0.17 -0.23 0.00 0.36 0.00 0.00 54.97 55.38 2jng s GLU 74 Cb -0.12 -3.32 0.03 0.00 0.26 0.00 0.00 34.13 30.98 2jng s GLU 74 CO 0.02 0.47 0.82 -1.50 -0.54 0.00 0.00 175.26 174.53 2jng s ILE 75 N -0.25 4.60 -0.14 -3.70 2.07 -1.26 -0.81 121.20 121.70 2jng s ILE 75 Ca 0.19 0.37 -0.24 0.00 -1.41 0.00 0.00 60.65 59.56 2jng s ILE 75 Cb -0.14 -4.37 -0.21 0.00 0.13 0.00 0.00 42.46 37.86 2jng s ILE 75 CO 0.07 -0.81 0.62 -0.07 -1.91 0.00 0.00 174.94 172.84 2jng h LEU 76 N 10.31 0.00 0.00 8.50 3.38 -1.82 -3.49 115.31 132.20 2jng h LEU 76 Ca -0.25 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 56.90 2jng h LEU 76 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2jng h LEU 76 CO 0.99 0.94 0.00 0.61 0.09 0.00 0.00 178.44 181.07 2jng n GLY 77 N 1.63 1.31 0.47 0.83 0.00 -1.01 -3.76 105.19 104.66 2jng n GLY 77 Ca -0.09 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 11.03 0.00 0.32 1.61 3.72 -1.26 -3.84 117.46 129.04 2jng n PHE 78 Ca 0.00 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.56 2jng n PHE 78 Cb 0.00 -0.02 0.68 0.00 -0.94 0.00 0.00 39.48 39.20 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 0.00 0.00 0.00 -1.08 4.11 -1.98 -3.54 114.58 112.09 2jng h GLU 79 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jng h GLU 79 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2jng h GLU 79 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.47