#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnf n GLY 2 N 0.00 -0.35 3.07 -5.12 0.00 -1.26 -4.85 105.19 96.68 2jnf n GLY 2 Ca 0.00 0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2jnf n GLY 2 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jnf n ASP 3 N -2.66 3.28 0.03 1.61 9.92 -1.25 -4.66 116.55 122.81 2jnf n ASP 3 Ca -0.15 -2.76 -0.03 0.00 -0.53 0.00 0.00 54.79 51.32 2jnf n ASP 3 Cb 0.61 -1.43 0.23 0.00 -0.64 0.00 0.00 41.12 39.89 2jnf n ASP 3 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 2jnf h VAL 4 N 4.60 1.25 0.00 2.53 3.04 -1.88 -2.55 116.25 123.25 2jnf h VAL 4 Ca 0.45 -1.19 -0.04 0.00 -1.01 0.00 0.00 66.70 64.91 2jnf h VAL 4 Cb 0.71 1.31 -0.01 0.00 -2.01 0.00 0.00 31.29 31.29 2jnf h VAL 4 CO 1.81 0.38 -0.20 0.28 -1.01 0.00 0.00 177.57 178.83 2jnf h SER 5 N 0.41 0.00 1.53 3.17 0.02 -1.97 -2.78 113.55 113.93 2jnf h SER 5 Ca 0.06 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2jnf h SER 5 Cb 0.62 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.15 2jnf h SER 5 CO 0.04 0.20 -0.12 0.11 -1.14 0.00 0.00 176.83 175.92 2jnf h LYS 6 N 0.00 0.00 -6.33 3.45 6.56 -1.84 -3.43 116.57 114.99 2jnf h LYS 6 Ca -0.00 0.00 -0.57 0.00 -1.06 0.00 0.00 60.65 59.02 2jnf h LYS 6 Cb 0.93 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.56 2jnf h LYS 6 CO 0.03 0.12 1.14 -0.51 -2.06 0.00 0.00 179.45 178.17 2jnf s LEU 7 N -6.34 3.74 0.00 2.94 1.02 -1.05 -4.99 118.68 114.00 2jnf s LEU 7 Ca 0.04 1.37 -0.09 0.00 0.02 0.00 0.00 54.13 55.47 2jnf s LEU 7 Cb 0.07 -3.53 0.18 0.00 0.02 0.00 0.00 46.19 42.93 2jnf s LEU 7 CO 0.65 -1.39 1.12 -1.54 0.02 0.00 0.00 176.35 175.21 2jnf n SER 8 N 8.90 0.62 0.01 2.29 3.41 -1.26 -4.85 113.62 122.74 2jnf n SER 8 Ca 0.19 -1.73 0.03 0.00 -0.26 0.00 0.00 58.87 57.10 2jnf n SER 8 Cb 0.46 -0.81 0.41 0.00 -0.26 0.00 0.00 64.21 64.01 2jnf n SER 8 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2jnf h SER 9 N -1.17 0.46 0.16 4.04 0.02 -1.98 -1.82 113.55 113.26 2jnf h SER 9 Ca -0.37 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.57 2jnf h SER 9 Cb 1.14 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 2jnf h SER 9 CO 0.31 0.37 -0.18 -1.13 -1.14 0.00 0.00 176.83 175.06 2jnf h ASN 10 N 0.53 -0.47 -0.37 3.07 -1.24 -1.99 0.39 115.58 115.49 2jnf h ASN 10 Ca 0.14 0.05 0.01 0.00 0.71 0.00 0.00 56.30 57.21 2jnf h ASN 10 Cb 0.00 0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.20 2jnf h ASN 10 CO -0.02 -0.26 0.23 1.56 -1.29 0.00 0.00 177.43 177.64 2jnf h GLN 11 N -0.37 0.46 0.00 6.67 1.08 -1.83 -2.46 115.11 118.65 2jnf h GLN 11 Ca 0.01 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.11 2jnf h GLN 11 Cb 0.36 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 2jnf h GLN 11 CO -0.06 0.30 -0.34 0.28 -0.95 0.00 0.00 178.83 178.07 2jnf h VAL 12 N 0.47 1.10 -0.41 -0.54 2.07 -1.08 -2.75 116.25 115.11 2jnf h VAL 12 Ca 0.14 -1.22 -0.11 0.00 0.82 0.00 0.00 66.70 66.33 2jnf h VAL 12 Cb -0.02 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2jnf h VAL 12 CO -0.05 0.33 -0.20 0.11 0.02 0.00 0.00 177.57 177.78 2jnf h LYS 13 N 0.00 0.80 -0.49 1.57 6.56 0.25 1.12 116.57 126.39 2jnf h LYS 13 Ca -0.00 -0.31 -0.02 0.00 -1.06 0.00 0.00 60.65 59.25 2jnf h LYS 13 Cb 0.66 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.25 2jnf h LYS 13 CO 0.04 0.93 0.23 -0.07 -2.06 0.00 0.00 179.45 178.52 2jnf h LEU 14 N 0.70 0.64 -0.44 2.94 -0.00 -1.36 0.67 115.31 118.46 2jnf h LEU 14 Ca 0.10 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 2jnf h LEU 14 Cb 0.71 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.19 2jnf h LEU 14 CO 0.05 0.60 0.29 -0.07 -0.00 0.00 0.00 178.44 179.32 2jnf h LEU 15 N 0.64 0.51 -0.26 1.67 3.38 -1.15 -2.88 115.31 117.22 2jnf h LEU 15 Ca 0.17 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2jnf h LEU 15 Cb 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2jnf h LEU 15 CO -0.02 0.37 0.05 -0.08 0.09 0.00 0.00 178.44 178.85 2jnf h GLU 16 N 0.60 0.42 -0.46 1.13 4.81 0.16 0.41 114.58 121.65 2jnf h GLU 16 Ca 0.16 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2jnf h GLU 16 Cb -0.07 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2jnf h GLU 16 CO -0.04 0.53 0.23 1.15 -0.73 0.00 0.00 179.01 180.16 2jnf h THR 17 N 0.24 1.15 0.21 0.32 2.02 -0.85 -0.29 112.91 115.72 2jnf h THR 17 Ca 0.08 -0.42 -0.32 0.00 0.77 0.00 0.00 66.41 66.52 2jnf h THR 17 Cb 0.31 0.56 0.02 0.00 -1.74 0.00 0.00 68.15 67.30 2jnf h THR 17 CO 0.00 0.18 -1.47 0.00 0.37 0.00 0.00 175.52 174.59 2jnf h ALA 18 N 1.61 -0.03 0.12 6.16 0.00 -1.29 -3.28 119.26 122.55 2jnf h ALA 18 Ca 0.16 -0.93 0.02 0.00 0.00 0.00 0.00 54.91 54.17 2jnf h ALA 18 Cb 0.06 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2jnf h ALA 18 CO -0.02 0.84 -0.29 0.35 0.00 0.00 0.00 179.25 180.12 2jnf h PHE 19 N 0.12 -0.79 0.00 0.00 3.04 0.50 -2.56 116.94 117.25 2jnf h PHE 19 Ca -0.24 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.71 2jnf h PHE 19 Cb 2.11 0.33 -0.00 0.00 2.56 0.00 0.00 35.95 40.95 2jnf h PHE 19 CO 0.11 -0.40 -0.07 0.00 -2.02 0.00 0.00 178.31 175.93 2jnf h ARG 20 N -0.51 0.00 0.06 1.11 2.47 -1.22 -1.42 114.38 114.87 2jnf h ARG 20 Ca 0.03 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.50 2jnf h ARG 20 Cb 0.54 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.87 2jnf h ARG 20 CO -0.17 0.07 -1.08 0.22 0.56 0.00 0.00 179.97 179.57 2jnf h ASP 21 N 0.00 0.58 -0.30 7.04 3.58 -1.52 -3.24 116.42 122.56 2jnf h ASP 21 Ca -0.00 -0.51 0.00 0.00 0.42 0.00 0.00 57.03 56.94 2jnf h ASP 21 Cb 0.42 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2jnf h ASP 21 CO 0.01 1.34 0.00 0.49 -2.88 0.00 0.00 179.24 178.20 2jnf n PHE 22 N -3.70 0.78 -2.13 0.28 3.72 -1.11 -5.03 117.46 110.26 2jnf n PHE 22 Ca -0.09 -0.73 -0.32 0.00 -0.05 0.00 0.00 57.45 56.26 2jnf n PHE 22 Cb 0.91 -0.21 -0.01 0.00 -0.94 0.00 0.00 39.48 39.24 2jnf n PHE 22 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2jnf s GLU 23 N -2.14 3.67 0.00 -1.08 2.12 -0.55 -4.46 118.70 116.26 2jnf s GLU 23 Ca 0.35 0.94 0.00 0.00 0.36 0.00 0.00 54.97 56.62 2jnf s GLU 23 Cb 0.26 -2.09 0.00 0.00 0.26 0.00 0.00 34.13 32.56 2jnf s GLU 23 CO 0.12 -0.51 0.00 2.41 -0.54 0.00 0.00 175.26 176.74 2jnf n THR 24 N -2.09 -1.27 -0.06 -1.70 -1.04 0.31 -4.91 114.28 103.52 2jnf n THR 24 Ca 0.07 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.86 2jnf n THR 24 Cb 0.54 -1.27 -0.13 0.00 -1.82 0.00 0.00 70.33 67.65 2jnf n THR 24 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2jnf n PRO 25 N -0.32 0.65 -0.94 -2.82 -0.04 -1.26 -4.69 135.00 125.59 2jnf n PRO 25 Ca 0.00 0.44 0.01 0.00 -0.04 0.00 0.00 63.50 63.91 2jnf n PRO 25 Cb 0.00 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 2jnf n PRO 25 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2jnf n GLU 26 N -4.01 0.00 -0.57 0.54 4.07 -1.26 -4.98 120.64 114.42 2jnf n GLU 26 Ca -0.32 -1.33 0.00 0.00 -0.06 0.00 0.00 57.16 55.45 2jnf n GLU 26 Cb 0.85 -0.20 0.00 0.00 -0.06 0.00 0.00 31.44 32.03 2jnf n GLU 26 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2jnf n GLY 27 N 0.20 0.77 0.08 8.31 0.00 -1.26 -5.04 105.19 108.24 2jnf n GLY 27 Ca 0.01 -0.60 -0.06 0.00 0.00 0.00 0.00 46.02 45.37 2jnf n GLY 27 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jnf n SER 28 N -0.52 0.09 0.00 1.61 2.88 -1.26 -4.96 113.62 111.45 2jnf n SER 28 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jnf n SER 28 Cb 0.19 1.19 0.00 0.00 -0.75 0.00 0.00 64.21 64.84 2jnf n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jnf n GLY 29 N 1.68 2.61 3.91 0.46 0.00 -1.26 -5.02 105.19 107.57 2jnf n GLY 29 Ca -0.27 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 2jnf n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jnf s ARG 30 N -0.46 2.94 -0.15 1.61 0.52 -1.26 -4.76 118.95 117.40 2jnf s ARG 30 Ca 0.00 -1.13 -0.04 0.00 -0.52 0.00 0.00 55.73 54.05 2jnf s ARG 30 Cb 0.00 -2.64 -0.03 0.00 0.52 0.00 0.00 34.95 32.80 2jnf s ARG 30 CO 0.00 0.14 -0.02 0.54 0.02 0.00 0.00 175.30 175.98 2jnf s VAL 31 N -2.21 4.07 0.47 3.52 0.11 -0.48 -0.53 120.40 125.35 2jnf s VAL 31 Ca 0.41 -0.30 -0.24 0.00 -2.93 0.00 0.00 61.98 58.92 2jnf s VAL 31 Cb -0.08 -2.78 -0.07 0.00 -1.53 0.00 0.00 36.38 31.93 2jnf s VAL 31 CO 0.28 0.51 1.35 -0.55 -3.33 0.00 0.00 175.10 173.36 2jnf s SER 32 N 0.14 5.79 0.50 3.54 0.15 -1.26 -0.60 113.70 121.95 2jnf s SER 32 Ca -0.00 2.75 0.33 0.00 0.70 0.00 0.00 55.95 59.73 2jnf s SER 32 Cb -0.13 -2.64 1.54 0.00 -1.71 0.00 0.00 66.02 63.08 2jnf s SER 32 CO 0.02 -1.22 1.99 0.71 1.20 0.00 0.00 173.24 175.95 2jnf h THR 33 N 1.99 0.00 -0.20 6.45 1.35 -1.45 -0.89 112.91 120.16 2jnf h THR 33 Ca -0.50 -0.27 -0.15 0.00 -0.55 0.00 0.00 66.41 64.93 2jnf h THR 33 Cb 1.27 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 2jnf h THR 33 CO 0.60 0.00 -0.51 -0.78 -0.25 0.00 0.00 175.52 174.58 2jnf h ASP 34 N 0.00 0.61 0.78 5.36 1.82 -1.90 -3.20 116.42 119.89 2jnf h ASP 34 Ca 0.00 -0.31 0.00 0.00 -0.39 0.00 0.00 57.03 56.33 2jnf h ASP 34 Cb 0.30 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.14 2jnf h ASP 34 CO 0.00 1.01 -0.67 0.00 -1.61 0.00 0.00 179.24 177.97 2jnf n GLN 35 N -3.98 0.27 -0.15 0.28 1.13 -0.40 -4.06 117.38 110.47 2jnf n GLN 35 Ca -0.03 0.07 -0.03 0.00 -1.94 0.00 0.00 57.00 55.07 2jnf n GLN 35 Cb 0.58 -1.66 0.06 0.00 0.11 0.00 0.00 30.24 29.33 2jnf n GLN 35 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 2jnf h ILE 36 N 0.00 0.71 -0.88 5.09 2.04 -1.39 -1.40 117.51 121.68 2jnf h ILE 36 Ca 0.00 -0.07 0.04 0.00 1.00 0.00 0.00 64.86 65.83 2jnf h ILE 36 Cb 0.72 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 2jnf h ILE 36 CO 0.00 0.04 0.58 1.23 0.00 0.00 0.00 178.15 179.99 2jnf h GLY 37 N 0.21 1.26 0.94 5.37 0.00 -1.74 0.28 103.07 109.38 2jnf h GLY 37 Ca 0.24 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 2jnf h GLY 37 CO -0.33 0.36 0.03 -2.22 0.00 0.00 0.00 176.54 174.37 2jnf h ILE 38 N 1.08 1.06 -0.45 2.60 2.04 -1.51 -1.59 117.51 120.74 2jnf h ILE 38 Ca 0.35 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 66.04 2jnf h ILE 38 Cb 0.06 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 2jnf h ILE 38 CO -0.11 0.05 0.29 0.40 0.00 0.00 0.00 178.15 178.78 2jnf h ILE 39 N 0.01 1.13 0.00 -0.67 2.04 -0.33 1.00 117.51 120.69 2jnf h ILE 39 Ca 0.02 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 2jnf h ILE 39 Cb 0.06 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2jnf h ILE 39 CO -0.00 0.13 -0.04 -0.07 0.00 0.00 0.00 178.15 178.16 2jnf h LEU 40 N 0.61 0.00 0.03 1.44 3.38 -0.34 0.23 115.31 120.66 2jnf h LEU 40 Ca 0.16 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.92 2jnf h LEU 40 Cb -0.04 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.73 2jnf h LEU 40 CO -0.03 0.04 -0.86 -0.08 0.09 0.00 0.00 178.44 177.60 2jnf h GLU 41 N 0.00 0.53 -0.81 1.13 4.57 -0.29 0.59 114.58 120.31 2jnf h GLU 41 Ca -0.00 -0.61 0.11 0.00 -1.18 0.00 0.00 59.36 57.67 2jnf h GLU 41 Cb 0.12 0.18 -0.08 0.00 -0.16 0.00 0.00 28.75 28.81 2jnf h GLU 41 CO 0.01 1.23 0.44 0.28 -1.18 0.00 0.00 179.01 179.79 2jnf h VAL 42 N 0.10 0.85 0.00 0.32 2.07 0.16 -0.99 116.25 118.75 2jnf h VAL 42 Ca -0.12 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2jnf h VAL 42 Cb 1.56 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2jnf h VAL 42 CO 0.17 0.13 -0.20 0.18 0.02 0.00 0.00 177.57 177.87 2jnf n LEU 43 N -4.80 0.36 -1.32 2.57 4.77 0.57 -4.94 117.00 114.21 2jnf n LEU 43 Ca 0.14 0.36 -0.10 0.00 -0.03 0.00 0.00 56.01 56.38 2jnf n LEU 43 Cb 0.32 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2jnf n LEU 43 CO 0.25 -0.01 -0.07 0.61 -1.33 0.00 0.00 177.39 176.84 2jnf n GLY 44 N 1.45 0.02 0.55 -0.72 0.00 -0.38 -4.95 105.19 101.16 2jnf n GLY 44 Ca 0.06 -0.42 -0.04 0.00 0.00 0.00 0.00 46.02 45.62 2jnf n GLY 44 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jnf n ILE 45 N -3.94 1.19 -2.75 -0.61 -5.35 0.10 -5.01 119.36 102.98 2jnf n ILE 45 Ca -0.09 0.27 -0.17 0.00 -0.27 0.00 0.00 62.75 62.49 2jnf n ILE 45 Cb 0.58 -1.88 0.08 0.00 -1.74 0.00 0.00 39.64 36.67 2jnf n ILE 45 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 2jnf n GLN 46 N -3.79 0.31 -1.37 6.28 -0.06 -1.14 -5.03 117.38 112.59 2jnf n GLN 46 Ca -0.06 -2.32 -0.01 0.00 -2.00 0.00 0.00 57.00 52.61 2jnf n GLN 46 Cb 0.23 -0.39 0.00 0.00 -4.06 0.00 0.00 30.24 26.03 2jnf n GLN 46 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 2jnf n GLN 47 N -2.28 1.20 -0.41 3.69 1.13 -1.26 -4.47 117.38 114.98 2jnf n GLN 47 Ca 0.13 -0.21 -0.31 0.00 -1.94 0.00 0.00 57.00 54.68 2jnf n GLN 47 Cb 0.48 0.00 0.29 0.00 0.11 0.00 0.00 30.24 31.12 2jnf n GLN 47 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2jnf s THR 48 N 0.32 1.19 0.53 5.09 -1.32 -1.26 -4.51 115.64 115.68 2jnf s THR 48 Ca 0.03 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.71 2jnf s THR 48 Cb -0.00 -2.10 0.33 0.00 -1.51 0.00 0.00 72.50 69.21 2jnf s THR 48 CO 0.02 0.00 2.09 0.11 -2.21 0.00 0.00 174.62 174.63 2jnf h LYS 49 N -3.41 0.00 -0.66 7.08 1.57 -1.97 -0.23 116.57 118.95 2jnf h LYS 49 Ca -0.42 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.47 2jnf h LYS 49 Cb 1.34 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.56 2jnf h LYS 49 CO 0.27 0.00 0.22 0.77 -0.57 0.00 0.00 179.45 180.15 2jnf h SER 50 N 0.00 0.18 0.54 0.86 0.02 -2.01 0.58 113.55 113.71 2jnf h SER 50 Ca 0.11 0.10 -0.23 0.00 -0.84 0.00 0.00 61.79 60.92 2jnf h SER 50 Cb 0.43 0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 2jnf h SER 50 CO -0.00 0.09 -1.02 0.74 -1.14 0.00 0.00 176.83 175.50 2jnf h THR 51 N 0.38 1.48 0.00 -2.27 2.02 -1.36 -3.22 112.91 109.94 2jnf h THR 51 Ca 0.35 -2.74 -0.02 0.00 0.77 0.00 0.00 66.41 64.76 2jnf h THR 51 Cb 0.49 2.62 -0.00 0.00 -1.74 0.00 0.00 68.15 69.52 2jnf h THR 51 CO -0.37 0.80 -0.11 0.40 0.37 0.00 0.00 175.52 176.62 2jnf h ILE 52 N 0.13 0.53 -0.98 3.11 1.08 -0.49 -0.74 117.51 120.15 2jnf h ILE 52 Ca -0.08 -0.51 0.20 0.00 -0.39 0.00 0.00 64.86 64.08 2jnf h ILE 52 Cb 1.69 1.33 -0.09 0.00 -3.07 0.00 0.00 36.82 36.68 2jnf h ILE 52 CO 0.17 0.11 0.61 0.03 -0.69 0.00 0.00 178.15 178.38 2jnf h ARG 53 N 0.00 0.62 -0.04 2.37 2.47 -0.94 0.21 114.38 119.07 2jnf h ARG 53 Ca -0.00 -0.04 -0.24 0.00 -1.26 0.00 0.00 59.98 58.44 2jnf h ARG 53 Cb 0.33 -0.14 0.01 0.00 -1.65 0.00 0.00 29.97 28.52 2jnf h ARG 53 CO 0.01 0.41 -0.93 1.96 0.56 0.00 0.00 179.97 181.99 2jnf h GLN 54 N 0.64 0.60 -0.33 0.04 1.08 -1.32 -0.11 115.11 115.71 2jnf h GLN 54 Ca 0.54 -0.60 0.05 0.00 -1.45 0.00 0.00 58.65 57.19 2jnf h GLN 54 Cb 1.01 0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 28.55 2jnf h GLN 54 CO -0.30 1.21 0.06 -0.07 -0.95 0.00 0.00 178.83 178.78 2jnf h LEU 55 N 0.36 0.00 -0.34 1.46 -0.00 -1.13 0.65 115.31 116.31 2jnf h LEU 55 Ca -0.09 0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 57.83 2jnf h LEU 55 Cb 1.56 0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 42.28 2jnf h LEU 55 CO 0.18 0.04 0.15 0.40 -0.00 0.00 0.00 178.44 179.20 2jnf h ILE 56 N 0.17 1.18 -0.32 1.22 2.04 -0.59 -1.34 117.51 119.88 2jnf h ILE 56 Ca 0.15 -0.54 0.09 0.00 1.00 0.00 0.00 64.86 65.57 2jnf h ILE 56 Cb 0.17 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2jnf h ILE 56 CO -0.21 0.19 0.23 -0.78 0.00 0.00 0.00 178.15 177.59 2jnf h ASP 57 N 0.41 0.00 0.07 1.72 3.58 -0.59 0.67 116.42 122.28 2jnf h ASP 57 Ca 0.12 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 2jnf h ASP 57 Cb 0.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2jnf h ASP 57 CO -0.01 0.00 -0.03 -0.08 -2.88 0.00 0.00 179.24 176.24 2jnf h GLU 58 N 0.00 -0.09 0.00 0.28 4.57 -0.29 -3.35 114.58 115.71 2jnf h GLU 58 Ca 0.15 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 2jnf h GLU 58 Cb 0.61 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 2jnf h GLU 58 CO -0.00 0.41 -1.28 1.19 -1.18 0.00 0.00 179.01 178.14 2jnf n PHE 59 N -4.79 0.00 -3.18 0.92 3.72 -0.56 -4.53 117.46 109.04 2jnf n PHE 59 Ca -0.06 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.11 2jnf n PHE 59 Cb 0.26 -0.16 -0.05 0.00 -0.94 0.00 0.00 39.48 38.59 2jnf n PHE 59 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2jnf n ASP 60 N -1.73 1.58 0.24 4.37 2.03 0.23 -4.88 116.55 118.39 2jnf n ASP 60 Ca 0.01 -3.07 0.16 0.00 0.52 0.00 0.00 54.79 52.41 2jnf n ASP 60 Cb 0.39 -0.62 0.68 0.00 -0.72 0.00 0.00 41.12 40.84 2jnf n ASP 60 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2jnf h PRO 61 N 3.49 0.00 0.00 -0.67 0.11 -1.69 -2.92 132.00 130.32 2jnf h PRO 61 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2jnf h PRO 61 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2jnf h PRO 61 CO 0.58 0.00 0.00 0.74 -0.21 0.00 0.00 178.00 179.11 2jnf h PHE 62 N 0.00 0.00 -2.52 0.65 0.04 -1.91 -3.47 116.94 109.73 2jnf h PHE 62 Ca 0.00 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 2jnf h PHE 62 Cb 0.41 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.61 2jnf h PHE 62 CO 0.00 0.00 -0.21 0.41 -0.60 0.00 0.00 178.31 177.91 2jnf n GLY 63 N 1.07 0.48 0.21 -1.45 0.00 -1.10 -4.96 105.19 99.44 2jnf n GLY 63 Ca 0.04 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 2jnf n GLY 63 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2jnf h ASN 64 N -0.85 0.64 0.00 1.61 -0.73 -1.92 -3.47 115.58 110.87 2jnf h ASN 64 Ca -0.18 -0.31 0.00 0.00 1.87 0.00 0.00 56.30 57.68 2jnf h ASN 64 Cb 1.12 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 39.53 2jnf h ASN 64 CO 0.18 0.79 0.00 0.61 -0.37 0.00 0.00 177.43 178.64 2jnf n GLY 65 N -0.36 2.29 3.51 1.57 0.00 -1.26 -5.06 105.19 105.89 2jnf n GLY 65 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 2jnf n GLY 65 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2jnf s ASP 66 N -1.40 0.10 0.02 1.61 1.47 -1.26 -1.16 116.67 116.05 2jnf s ASP 66 Ca 0.00 -1.10 0.02 0.00 1.18 0.00 0.00 52.55 52.66 2jnf s ASP 66 Cb 0.00 0.57 -0.02 0.00 -0.34 0.00 0.00 42.92 43.13 2jnf s ASP 66 CO 0.00 -1.12 -0.08 0.27 0.68 0.00 0.00 175.17 174.92 2jnf s ILE 67 N -3.86 0.56 0.78 2.11 -4.36 0.23 -4.80 121.20 111.85 2jnf s ILE 67 Ca 0.26 -0.72 -0.10 0.00 -0.26 0.00 0.00 60.65 59.83 2jnf s ILE 67 Cb 0.01 -0.55 0.09 0.00 1.25 0.00 0.00 42.46 43.26 2jnf s ILE 67 CO 0.11 -0.13 1.12 -0.62 0.24 0.00 0.00 174.94 175.66 2jnf s ASP 68 N -0.93 4.43 0.60 4.36 -1.08 -1.26 -1.38 116.67 121.41 2jnf s ASP 68 Ca -0.04 0.50 0.35 0.00 -0.52 0.00 0.00 52.55 52.85 2jnf s ASP 68 Cb -0.07 -0.99 1.92 0.00 -1.46 0.00 0.00 42.92 42.32 2jnf s ASP 68 CO 0.00 -1.89 2.23 0.15 0.52 0.00 0.00 175.17 176.19 2jnf h PHE 69 N -0.91 0.00 -0.64 -5.34 3.04 -1.97 -0.78 116.94 110.34 2jnf h PHE 69 Ca -0.45 0.00 0.12 0.00 3.98 0.00 0.00 57.97 61.62 2jnf h PHE 69 Cb 1.31 0.00 -0.12 0.00 2.56 0.00 0.00 35.95 39.70 2jnf h PHE 69 CO 0.08 0.03 -0.31 0.22 -2.02 0.00 0.00 178.31 176.32 2jnf h ASP 70 N 0.00 -1.07 0.45 0.41 1.82 -2.00 0.20 116.42 116.23 2jnf h ASP 70 Ca -0.00 0.23 -0.30 0.00 -0.39 0.00 0.00 57.03 56.57 2jnf h ASP 70 Cb 0.13 0.56 -0.03 0.00 0.68 0.00 0.00 39.33 40.67 2jnf h ASP 70 CO 0.00 -0.29 -1.64 0.28 -1.61 0.00 0.00 179.24 175.98 2jnf h SER 71 N -0.12 0.20 -0.03 2.28 0.02 -1.68 -3.37 113.55 110.86 2jnf h SER 71 Ca 0.26 -0.36 -0.06 0.00 -0.84 0.00 0.00 61.79 60.79 2jnf h SER 71 Cb 0.55 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 2jnf h SER 71 CO -0.71 1.31 -0.15 0.15 -1.14 0.00 0.00 176.83 176.29 2jnf h PHE 72 N 0.04 0.38 -0.49 3.45 3.57 -0.93 -1.42 116.94 121.53 2jnf h PHE 72 Ca -0.27 -0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.10 2jnf h PHE 72 Cb 2.00 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 40.61 2jnf h PHE 72 CO 0.04 0.50 -0.00 -0.22 -2.23 0.00 0.00 178.31 176.39 2jnf h LYS 73 N 0.33 0.82 -0.37 1.11 3.64 -0.76 0.70 116.57 122.03 2jnf h LYS 73 Ca 0.06 -0.22 -0.12 0.00 -1.27 0.00 0.00 60.65 59.10 2jnf h LYS 73 Cb 0.47 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2jnf h LYS 73 CO 0.03 0.82 -0.25 0.82 -2.27 0.00 0.00 179.45 178.59 2jnf h ILE 74 N 0.76 1.27 0.24 2.00 2.04 -1.52 0.32 117.51 122.62 2jnf h ILE 74 Ca 0.15 -1.38 -0.00 0.00 1.00 0.00 0.00 64.86 64.63 2jnf h ILE 74 Cb 0.46 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 2jnf h ILE 74 CO 0.02 0.46 -0.20 0.40 0.00 0.00 0.00 178.15 178.83 2jnf h ILE 75 N 0.66 0.58 -0.91 -0.67 2.04 -0.72 -1.61 117.51 116.87 2jnf h ILE 75 Ca 0.09 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 2jnf h ILE 75 Cb 0.77 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 2jnf h ILE 75 CO 0.06 0.00 0.54 1.23 0.00 0.00 0.00 178.15 179.99 2jnf h GLY 76 N -0.45 1.33 2.00 5.37 0.00 -0.69 -2.71 103.07 107.92 2jnf h GLY 76 Ca -0.01 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 46.71 2jnf h GLY 76 CO -0.02 0.54 -0.22 0.00 0.00 0.00 0.00 176.54 176.85 2jnf h ALA 77 N 1.33 1.52 0.00 3.60 0.00 -0.05 0.29 119.26 125.95 2jnf h ALA 77 Ca 0.33 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2jnf h ALA 77 Cb -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2jnf h ALA 77 CO -0.06 0.27 -0.70 2.89 0.00 0.00 0.00 179.25 181.66 2jnf n ARG 78 N -4.11 0.19 -0.00 0.00 1.85 -0.63 -3.91 116.66 110.04 2jnf n ARG 78 Ca -0.02 0.03 -0.01 0.00 -1.00 0.00 0.00 57.85 56.85 2jnf n ARG 78 Cb 0.29 -1.59 -0.00 0.00 -1.05 0.00 0.00 32.46 30.10 2jnf n ARG 78 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2jnf n PHE 79 N -1.85 0.00 0.00 2.89 3.72 -0.89 -4.87 117.46 116.46 2jnf n PHE 79 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2jnf n PHE 79 Cb 0.40 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 2jnf n PHE 79 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2jnf n LEU 80 N -2.38 0.00 -2.10 4.37 7.99 0.96 -4.87 117.00 120.97 2jnf n LEU 80 Ca -0.01 0.82 -0.19 0.00 -0.01 0.00 0.00 56.01 56.62 2jnf n LEU 80 Cb 0.52 -0.32 -0.01 0.00 -0.11 0.00 0.00 43.42 43.50 2jnf n LEU 80 CO 0.01 -0.32 -0.24 0.61 -1.51 0.00 0.00 177.39 175.94 2jnf n GLY 81 N -0.88 -0.29 2.13 -0.72 0.00 -1.26 -4.86 105.19 99.31 2jnf n GLY 81 Ca 0.00 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 2jnf n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jnf n GLU 82 N -2.78 2.60 -3.28 1.61 -0.58 -1.26 -4.67 120.64 112.29 2jnf n GLU 82 Ca -0.22 -1.48 -0.27 0.00 -0.42 0.00 0.00 57.16 54.77 2jnf n GLU 82 Cb 0.67 -2.27 -0.07 0.00 -0.57 0.00 0.00 31.44 29.20 2jnf n GLU 82 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2jnf n GLU 83 N 2.75 2.60 -3.29 3.49 2.13 -1.26 -4.95 120.64 122.11 2jnf n GLU 83 Ca 0.55 -4.63 -0.23 0.00 0.66 0.00 0.00 57.16 53.51 2jnf n GLU 83 Cb 0.68 -2.19 -0.08 0.00 0.27 0.00 0.00 31.44 30.11 2jnf n GLU 83 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2jnf s VAL 84 N -2.95 0.10 -0.14 6.31 1.01 -1.26 -5.09 120.40 118.37 2jnf s VAL 84 Ca 0.42 -2.32 0.01 0.00 0.00 0.00 0.00 61.98 60.09 2jnf s VAL 84 Cb 0.19 -1.03 -0.00 0.00 0.00 0.00 0.00 36.38 35.53 2jnf s VAL 84 CO -0.05 -1.02 -0.16 0.20 0.00 0.00 0.00 175.10 174.07 2jnf s ASN 85 N 0.25 3.68 0.02 3.32 -0.87 -1.26 -5.04 114.94 115.04 2jnf s ASN 85 Ca 0.32 -0.44 -0.22 0.00 -1.57 0.00 0.00 52.86 50.94 2jnf s ASN 85 Cb 0.02 -1.56 -0.17 0.00 -0.02 0.00 0.00 41.25 39.53 2jnf s ASN 85 CO -0.17 0.11 1.29 -0.65 -2.57 0.00 0.00 177.10 175.12 2jnf h PRO 86 N 7.09 0.26 0.00 -0.60 0.11 -1.98 -3.29 132.00 133.60 2jnf h PRO 86 Ca -0.29 -0.15 -0.38 0.00 0.11 0.00 0.00 66.00 65.29 2jnf h PRO 86 Cb 1.20 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 2jnf h PRO 86 CO 0.55 0.71 -2.36 0.39 -0.21 0.00 0.00 178.00 177.09 2jnf n GLU 87 N -4.61 0.56 -0.30 1.05 -0.58 -1.26 -3.74 120.64 111.76 2jnf n GLU 87 Ca -0.07 0.17 0.19 0.00 -0.42 0.00 0.00 57.16 57.03 2jnf n GLU 87 Cb 0.36 -1.44 0.46 0.00 -0.57 0.00 0.00 31.44 30.25 2jnf n GLU 87 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2jnf h GLN 88 N -0.35 0.48 -0.01 3.49 1.08 -1.85 -1.81 115.11 116.15 2jnf h GLN 88 Ca -0.57 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.61 2jnf h GLN 88 Cb 1.71 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 29.03 2jnf h GLN 88 CO -0.20 0.32 -0.09 -1.33 -0.95 0.00 0.00 178.83 176.58 2jnf n MET 89 N -4.62 1.16 0.00 1.46 2.81 -1.24 -4.67 117.12 112.02 2jnf n MET 89 Ca 0.23 -0.90 0.00 0.00 -1.81 0.00 0.00 57.70 55.22 2jnf n MET 89 Cb 0.74 -1.15 0.00 0.00 -0.71 0.00 0.00 33.22 32.10 2jnf n MET 89 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2jnf n GLN 90 N 0.23 0.00 -1.54 0.03 6.02 -0.87 -4.88 117.38 116.36 2jnf n GLN 90 Ca 0.05 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.70 2jnf n GLN 90 Cb 0.24 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.46 2jnf n GLN 90 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2jnf n GLN 91 N -1.24 3.64 0.30 -1.09 6.02 -0.96 -4.58 117.38 119.47 2jnf n GLN 91 Ca 0.00 -2.52 0.19 0.00 -0.01 0.00 0.00 57.00 54.66 2jnf n GLN 91 Cb 0.00 -2.54 0.99 0.00 1.02 0.00 0.00 30.24 29.71 2jnf n GLN 91 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2jnf h GLU 92 N 4.32 0.00 -0.52 -1.09 5.08 -1.62 -1.92 114.58 118.82 2jnf h GLU 92 Ca 0.66 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 59.06 2jnf h GLU 92 Cb 0.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 2jnf h GLU 92 CO 1.34 0.00 0.35 -0.07 -1.00 0.00 0.00 179.01 179.63 2jnf h LEU 93 N 0.00 0.48 -1.11 1.33 -0.00 -1.86 -1.55 115.31 112.60 2jnf h LEU 93 Ca 0.02 -0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.86 2jnf h LEU 93 Cb 0.33 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 40.85 2jnf h LEU 93 CO -0.00 0.33 0.22 0.03 -0.00 0.00 0.00 178.44 179.02 2jnf h ARG 94 N 0.56 0.84 0.00 1.13 2.47 -1.69 -0.65 114.38 117.04 2jnf h ARG 94 Ca 0.22 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 2jnf h ARG 94 Cb 0.16 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 2jnf h ARG 94 CO -0.06 0.70 -0.34 0.93 0.56 0.00 0.00 179.97 181.76 2jnf h GLU 95 N 0.83 0.00 0.00 0.04 5.08 -1.50 -3.24 114.58 115.78 2jnf h GLU 95 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2jnf h GLU 95 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2jnf h GLU 95 CO -0.02 0.00 -0.18 0.00 -1.00 0.00 0.00 179.01 177.81 2jnf n ALA 96 N -1.83 2.50 -0.10 3.43 0.00 -0.32 -3.52 120.51 120.68 2jnf n ALA 96 Ca 0.04 -0.10 -0.09 0.00 0.00 0.00 0.00 53.44 53.28 2jnf n ALA 96 Cb 0.44 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 2jnf n ALA 96 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2jnf h PHE 97 N 0.00 0.47 0.00 0.00 0.04 -1.40 -1.38 116.94 114.66 2jnf h PHE 97 Ca 0.00 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2jnf h PHE 97 Cb 0.70 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.71 2jnf h PHE 97 CO 0.00 0.41 0.00 0.54 -0.60 0.00 0.00 178.31 178.66 2jnf n ARG 98 N -4.76 0.09 0.03 1.51 1.74 -1.23 0.94 116.66 114.99 2jnf n ARG 98 Ca -0.01 0.41 -0.21 0.00 -0.77 0.00 0.00 57.85 57.27 2jnf n ARG 98 Cb 0.11 -1.70 -0.14 0.00 -1.02 0.00 0.00 32.46 29.70 2jnf n ARG 98 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2jnf h LEU 99 N 0.00 0.44 0.00 0.55 3.38 -1.41 -3.39 115.31 114.87 2jnf h LEU 99 Ca 0.00 -0.89 -0.13 0.00 0.09 0.00 0.00 57.88 56.95 2jnf h LEU 99 Cb 0.21 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2jnf h LEU 99 CO 0.00 1.55 -1.55 -1.22 0.09 0.00 0.00 178.44 177.31 2jnf n TYR 100 N -3.98 0.69 -2.17 1.13 4.01 -0.67 -4.63 117.16 111.53 2jnf n TYR 100 Ca -0.21 0.22 -0.31 0.00 -0.16 0.00 0.00 57.90 57.44 2jnf n TYR 100 Cb 0.89 -0.94 -0.05 0.00 -0.31 0.00 0.00 39.34 38.92 2jnf n TYR 100 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2jnf s ASP 101 N -5.43 5.40 0.35 7.72 2.15 0.27 -4.65 116.67 122.48 2jnf s ASP 101 Ca -0.04 -1.83 0.27 0.00 0.43 0.00 0.00 52.55 51.37 2jnf s ASP 101 Cb 0.09 -2.59 0.90 0.00 -0.30 0.00 0.00 42.92 41.03 2jnf s ASP 101 CO 0.83 -2.69 1.77 0.11 -0.17 0.00 0.00 175.17 175.02 2jnf h LYS 102 N 9.28 0.00 0.16 4.34 1.79 -1.86 -3.29 116.57 126.99 2jnf h LYS 102 Ca 0.26 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.41 2jnf h LYS 102 Cb 0.92 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.58 2jnf h LYS 102 CO 1.27 0.00 -1.57 0.93 -1.08 0.00 0.00 179.45 179.01 2jnf h GLU 103 N 0.00 0.34 0.00 3.15 5.08 -1.94 -3.48 114.58 117.73 2jnf h GLU 103 Ca 0.00 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 2jnf h GLU 103 Cb 0.62 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2jnf h GLU 103 CO 0.00 1.24 0.00 0.41 -1.00 0.00 0.00 179.01 179.66 2jnf n GLY 104 N 1.72 1.52 0.11 -3.84 0.00 -1.24 -5.02 105.19 98.44 2jnf n GLY 104 Ca -0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.95 2jnf n GLY 104 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2jnf h ASN 105 N 0.00 0.00 0.00 1.61 2.35 -1.94 -3.47 115.58 114.13 2jnf h ASN 105 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2jnf h ASN 105 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2jnf h ASN 105 CO 0.00 0.03 0.00 0.61 -1.65 0.00 0.00 177.43 176.42 2jnf n GLY 106 N 1.21 2.80 3.83 2.83 0.00 -1.26 -4.94 105.19 109.66 2jnf n GLY 106 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2jnf n GLY 106 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jnf s TYR 107 N -0.86 2.25 -0.18 1.61 2.02 -1.26 -4.64 117.35 116.29 2jnf s TYR 107 Ca 0.00 -0.68 -0.04 0.00 -0.37 0.00 0.00 57.07 55.98 2jnf s TYR 107 Cb 0.00 -1.97 -0.02 0.00 -0.40 0.00 0.00 41.96 39.57 2jnf s TYR 107 CO 0.00 -0.11 -0.03 0.96 -1.57 0.00 0.00 175.55 174.81 2jnf s ILE 108 N -2.65 3.82 0.99 2.71 -4.36 -0.68 -4.72 121.20 116.30 2jnf s ILE 108 Ca 0.38 -0.37 -0.12 0.00 -0.26 0.00 0.00 60.65 60.29 2jnf s ILE 108 Cb 0.00 -2.70 0.18 0.00 1.25 0.00 0.00 42.46 41.20 2jnf s ILE 108 CO 0.22 0.46 1.09 -0.44 0.24 0.00 0.00 174.94 176.51 2jnf s SER 109 N 0.75 2.51 0.47 4.36 0.01 -1.26 0.75 113.70 121.29 2jnf s SER 109 Ca -0.01 1.69 0.12 0.00 1.31 0.00 0.00 55.95 59.06 2jnf s SER 109 Cb -0.14 -2.32 1.08 0.00 0.21 0.00 0.00 66.02 64.84 2jnf s SER 109 CO 0.02 -3.27 2.10 0.71 0.41 0.00 0.00 173.24 173.20 2jnf h THR 110 N -1.99 1.03 0.06 1.44 1.35 -1.91 -1.21 112.91 111.70 2jnf h THR 110 Ca -0.52 -0.09 0.01 0.00 -0.55 0.00 0.00 66.41 65.26 2jnf h THR 110 Cb 1.30 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 2jnf h THR 110 CO 0.50 0.05 -0.10 0.44 -0.25 0.00 0.00 175.52 176.16 2jnf h ASP 111 N 0.27 -0.27 -0.04 5.36 3.32 -1.90 0.28 116.42 123.44 2jnf h ASP 111 Ca 0.09 0.03 -0.14 0.00 0.02 0.00 0.00 57.03 57.03 2jnf h ASP 111 Cb 0.03 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2jnf h ASP 111 CO -0.02 -0.15 -0.42 1.62 -1.72 0.00 0.00 179.24 178.55 2jnf h VAL 112 N -0.20 1.30 -0.54 -1.35 3.04 -1.80 -2.47 116.25 114.23 2jnf h VAL 112 Ca 0.02 -1.60 0.03 0.00 -1.01 0.00 0.00 66.70 64.14 2jnf h VAL 112 Cb 0.21 1.58 -0.04 0.00 -2.01 0.00 0.00 31.29 31.04 2jnf h VAL 112 CO -0.06 0.50 0.31 -0.03 -1.01 0.00 0.00 177.57 177.29 2jnf h MET 113 N 0.47 0.60 -0.37 4.17 1.85 -0.89 0.17 114.93 120.91 2jnf h MET 113 Ca 0.04 -0.04 0.08 0.00 -0.61 0.00 0.00 59.70 59.17 2jnf h MET 113 Cb 0.93 -0.13 -0.08 0.00 0.43 0.00 0.00 31.60 32.75 2jnf h MET 113 CO 0.08 0.39 -0.14 -0.09 -0.40 0.00 0.00 176.91 176.76 2jnf h ARG 114 N 0.61 -0.06 -0.64 0.39 2.43 -0.19 -0.81 114.38 116.11 2jnf h ARG 114 Ca 0.22 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.32 2jnf h ARG 114 Cb 0.06 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 2jnf h ARG 114 CO -0.11 -0.04 0.09 0.93 -1.51 0.00 0.00 179.97 179.32 2jnf h GLU 115 N -0.06 1.06 -0.40 0.20 5.08 -0.93 -1.81 114.58 117.71 2jnf h GLU 115 Ca 0.19 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2jnf h GLU 115 Cb 0.35 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2jnf h GLU 115 CO -0.42 0.98 0.24 0.82 -1.00 0.00 0.00 179.01 179.62 2jnf h ILE 116 N 0.99 1.04 0.33 3.13 2.04 -0.12 0.81 117.51 125.73 2jnf h ILE 116 Ca 0.19 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 2jnf h ILE 116 Cb 0.45 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2jnf h ILE 116 CO 0.01 0.09 -0.16 0.25 0.00 0.00 0.00 178.15 178.34 2jnf h LEU 117 N 0.48 -0.38 -2.38 1.44 7.12 -0.94 -2.68 115.31 117.97 2jnf h LEU 117 Ca 0.16 -0.10 0.00 0.00 0.13 0.00 0.00 57.88 58.07 2jnf h LEU 117 Cb 0.01 0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.24 2jnf h LEU 117 CO -0.08 -0.13 0.00 0.00 -0.13 0.00 0.00 178.44 178.11 2jnf h ALA 118 N -0.03 1.00 -0.41 1.25 0.00 -1.26 -0.50 119.26 119.31 2jnf h ALA 118 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2jnf h ALA 118 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2jnf h ALA 118 CO 0.08 0.00 -0.29 1.49 0.00 0.00 0.00 179.25 180.53 2jnf h GLU 119 N 0.00 0.92 0.03 0.00 4.81 -0.49 -2.96 114.58 116.89 2jnf h GLU 119 Ca 0.00 -0.44 -0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2jnf h GLU 119 Cb 0.19 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2jnf h GLU 119 CO 0.00 1.10 -0.01 -0.07 -0.73 0.00 0.00 179.01 179.30 2jnf h LEU 120 N 0.75 -0.03 -7.85 1.64 -0.00 -1.24 -3.41 115.31 105.17 2jnf h LEU 120 Ca 0.08 -0.69 -0.72 0.00 -0.00 0.00 0.00 57.88 56.55 2jnf h LEU 120 Cb 0.87 0.01 -0.31 0.00 -0.00 0.00 0.00 40.66 41.23 2jnf h LEU 120 CO 0.08 0.72 -0.34 -1.81 -0.00 0.00 0.00 178.44 177.09 2jnf s ASP 121 N -5.90 5.70 0.00 -0.43 1.11 -0.27 -4.94 116.67 111.94 2jnf s ASP 121 Ca -0.16 -2.22 0.00 0.00 0.18 0.00 0.00 52.55 50.35 2jnf s ASP 121 Cb -0.01 -1.99 0.00 0.00 1.07 0.00 0.00 42.92 41.99 2jnf s ASP 121 CO 0.61 -0.60 0.73 -1.84 1.18 0.00 0.00 175.17 175.25 2jnf n GLU 122 N 4.47 0.99 0.00 8.23 0.28 -1.12 -2.74 120.64 130.75 2jnf n GLU 122 Ca -0.01 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.03 2jnf n GLU 122 Cb 0.41 -1.25 -0.00 0.00 1.43 0.00 0.00 31.44 32.02 2jnf n GLU 122 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2jnf n THR 123 N -0.24 0.00 -2.13 3.84 -2.24 -1.26 -4.94 114.28 107.31 2jnf n THR 123 Ca 0.00 -0.41 -0.43 0.00 -2.27 0.00 0.00 64.05 60.94 2jnf n THR 123 Cb 0.13 1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 69.43 2jnf n THR 123 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2jnf s LEU 124 N -1.52 3.85 0.73 3.22 2.01 -1.11 -5.01 118.68 120.85 2jnf s LEU 124 Ca 0.07 1.54 -0.03 0.00 0.01 0.00 0.00 54.13 55.72 2jnf s LEU 124 Cb 0.07 -3.53 0.12 0.00 0.01 0.00 0.00 46.19 42.86 2jnf s LEU 124 CO 0.22 -1.29 1.01 -0.44 1.01 0.00 0.00 176.35 176.85 2jnf s SER 125 N 4.30 4.33 0.24 2.29 0.01 -1.26 -4.73 113.70 118.88 2jnf s SER 125 Ca 0.71 -0.21 -0.05 0.00 1.31 0.00 0.00 55.95 57.71 2jnf s SER 125 Cb -0.24 -0.20 0.41 0.00 0.21 0.00 0.00 66.02 66.20 2jnf s SER 125 CO 0.29 -1.87 1.74 0.77 0.41 0.00 0.00 173.24 174.59 2jnf h SER 126 N -0.60 0.32 -0.59 2.44 4.64 -1.98 0.39 113.55 118.18 2jnf h SER 126 Ca -0.38 0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 60.96 2jnf h SER 126 Cb 1.27 0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.39 2jnf h SER 126 CO 0.42 0.15 0.10 -0.33 -0.87 0.00 0.00 176.83 176.30 2jnf h GLU 127 N 0.48 0.97 -0.01 4.77 3.07 -1.99 -0.93 114.58 120.94 2jnf h GLU 127 Ca 0.39 -0.26 -0.00 0.00 -0.50 0.00 0.00 59.36 58.99 2jnf h GLU 127 Cb 0.54 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.33 2jnf h GLU 127 CO -0.36 0.92 -0.01 -0.44 -1.40 0.00 0.00 179.01 177.72 2jnf h ASP 128 N 0.87 0.02 -0.90 1.42 3.32 -1.61 -2.97 116.42 116.57 2jnf h ASP 128 Ca 0.18 -0.49 0.09 0.00 0.02 0.00 0.00 57.03 56.83 2jnf h ASP 128 Cb 0.42 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.90 2jnf h ASP 128 CO 0.01 0.51 0.58 -0.07 -1.72 0.00 0.00 179.24 178.55 2jnf h LEU 129 N -0.46 0.83 -0.50 1.55 3.38 -0.25 -1.85 115.31 118.00 2jnf h LEU 129 Ca 0.00 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.05 2jnf h LEU 129 Cb 0.50 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2jnf h LEU 129 CO 0.00 0.50 0.21 -0.78 0.09 0.00 0.00 178.44 178.46 2jnf h ASP 130 N 0.92 0.25 -0.67 -0.43 3.58 -1.07 0.51 116.42 119.52 2jnf h ASP 130 Ca 0.41 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.86 2jnf h ASP 130 Cb 0.36 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.40 2jnf h ASP 130 CO -0.17 0.17 0.23 0.00 -2.88 0.00 0.00 179.24 176.60 2jnf h ALA 131 N 1.31 0.87 -0.40 -0.78 0.00 -1.22 -0.50 119.26 118.54 2jnf h ALA 131 Ca 0.23 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 2jnf h ALA 131 Cb 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2jnf h ALA 131 CO -0.21 0.52 -0.30 0.52 0.00 0.00 0.00 179.25 179.77 2jnf h MET 132 N 0.95 0.88 -0.44 0.00 2.86 -0.62 -0.01 114.93 118.55 2jnf h MET 132 Ca 0.22 -0.41 0.02 0.00 -2.06 0.00 0.00 59.70 57.46 2jnf h MET 132 Cb 0.26 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 2jnf h MET 132 CO -0.01 1.06 0.27 0.82 1.06 0.00 0.00 176.91 180.11 2jnf h ILE 133 N 0.74 1.05 -0.73 -1.22 1.08 0.24 0.67 117.51 119.34 2jnf h ILE 133 Ca 0.08 -0.18 0.08 0.00 -0.39 0.00 0.00 64.86 64.45 2jnf h ILE 133 Cb 0.87 0.47 -0.07 0.00 -3.07 0.00 0.00 36.82 35.02 2jnf h ILE 133 CO 0.08 0.10 0.39 -0.78 -0.69 0.00 0.00 178.15 177.24 2jnf h ASP 134 N 0.53 0.54 -0.08 1.72 3.58 -0.78 -1.26 116.42 120.67 2jnf h ASP 134 Ca 0.18 0.05 -0.10 0.00 0.42 0.00 0.00 57.03 57.58 2jnf h ASP 134 Cb 0.00 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.01 2jnf h ASP 134 CO -0.08 0.32 -0.32 -0.08 -2.88 0.00 0.00 179.24 176.20 2jnf h GLU 135 N 0.67 0.36 0.68 0.28 4.57 -0.24 -3.35 114.58 117.56 2jnf h GLU 135 Ca 0.35 -0.28 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 2jnf h GLU 135 Cb 0.32 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2jnf h GLU 135 CO -0.24 0.92 -0.35 0.82 -1.18 0.00 0.00 179.01 178.97 2jnf h ILE 136 N -0.12 0.28 -0.80 2.32 2.04 0.55 -3.32 117.51 118.47 2jnf h ILE 136 Ca -0.02 0.00 -0.55 0.00 1.00 0.00 0.00 64.86 65.29 2jnf h ILE 136 Cb 0.97 0.28 -0.07 0.00 -0.74 0.00 0.00 36.82 37.26 2jnf h ILE 136 CO 0.07 0.00 1.69 -0.62 0.00 0.00 0.00 178.15 179.29 2jnf s ASP 137 N -4.36 6.21 0.11 1.72 2.15 -0.50 -4.26 116.67 117.74 2jnf s ASP 137 Ca -0.18 -1.95 -0.04 0.00 0.43 0.00 0.00 52.55 50.81 2jnf s ASP 137 Cb 0.03 -2.58 -0.16 0.00 -0.30 0.00 0.00 42.92 39.92 2jnf s ASP 137 CO 0.62 -1.82 1.25 0.00 -0.17 0.00 0.00 175.17 175.05 2jnf h ALA 138 N 8.77 0.27 0.00 3.66 0.00 -1.78 -3.27 119.26 126.91 2jnf h ALA 138 Ca 0.32 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2jnf h ALA 138 Cb 0.92 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2jnf h ALA 138 CO 1.38 0.87 -0.54 -0.25 0.00 0.00 0.00 179.25 180.71 2jnf n ASP 139 N -3.67 0.53 -1.43 0.00 8.00 -1.26 -4.96 116.55 113.77 2jnf n ASP 139 Ca -0.07 -0.24 -0.08 0.00 0.71 0.00 0.00 54.79 55.10 2jnf n ASP 139 Cb 0.90 0.28 0.02 0.00 -0.02 0.00 0.00 41.12 42.31 2jnf n ASP 139 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jnf n GLY 140 N 1.48 0.33 0.17 0.44 0.00 -1.24 -4.93 105.19 101.45 2jnf n GLY 140 Ca 0.05 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 45.79 2jnf n GLY 140 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jnf h SER 141 N -0.73 0.00 0.00 1.61 0.02 -1.93 -3.47 113.55 109.05 2jnf h SER 141 Ca -0.20 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2jnf h SER 141 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2jnf h SER 141 CO 0.20 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.51 2jnf n GLY 142 N 1.15 2.84 3.29 -3.77 0.00 -1.26 -4.97 105.19 102.46 2jnf n GLY 142 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2jnf n GLY 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jnf s THR 143 N -2.01 2.33 -0.33 2.61 -4.23 -1.26 -3.06 115.64 109.68 2jnf s THR 143 Ca 0.00 -0.94 -0.27 0.00 -1.18 0.00 0.00 61.69 59.30 2jnf s THR 143 Cb 0.00 -1.90 0.01 0.00 1.34 0.00 0.00 72.50 71.96 2jnf s THR 143 CO 0.00 0.56 0.96 -0.69 -0.54 0.00 0.00 174.62 174.91 2jnf s VAL 144 N 0.09 4.59 0.25 2.29 1.01 0.23 -4.80 120.40 124.06 2jnf s VAL 144 Ca -0.10 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.32 2jnf s VAL 144 Cb -0.16 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 31.89 2jnf s VAL 144 CO 0.06 -0.45 0.00 -0.67 0.00 0.00 0.00 175.10 174.04 2jnf n ASP 145 N 6.70 -0.11 0.00 3.32 2.03 -1.26 -1.69 116.55 125.54 2jnf n ASP 145 Ca 0.09 0.42 0.00 0.00 0.52 0.00 0.00 54.79 55.81 2jnf n ASP 145 Cb 0.48 0.34 0.00 0.00 -0.72 0.00 0.00 41.12 41.21 2jnf n ASP 145 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 2jnf n PHE 146 N -3.35 0.00 0.25 -0.67 1.16 -1.26 -4.42 117.46 109.17 2jnf n PHE 146 Ca 0.00 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.63 2jnf n PHE 146 Cb 0.00 0.00 0.25 0.00 -1.61 0.00 0.00 39.48 38.12 2jnf n PHE 146 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 2jnf n GLU 147 N 0.00 0.04 0.07 3.97 4.71 -1.26 -1.68 120.64 126.49 2jnf n GLU 147 Ca 0.00 0.42 -0.13 0.00 -0.01 0.00 0.00 57.16 57.44 2jnf n GLU 147 Cb 0.00 -1.61 -0.09 0.00 -1.01 0.00 0.00 31.44 28.74 2jnf n GLU 147 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2jnf h GLU 148 N 0.00 -0.18 0.03 3.49 5.08 -1.85 -0.98 114.58 120.17 2jnf h GLU 148 Ca 0.00 0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.15 2jnf h GLU 148 Cb 0.13 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2jnf h GLU 148 CO 0.00 0.15 -0.98 0.35 -1.00 0.00 0.00 179.01 177.53 2jnf h PHE 149 N -0.53 0.39 0.00 4.33 3.04 -1.56 -2.91 116.94 119.71 2jnf h PHE 149 Ca -0.02 -0.24 -0.01 0.00 3.98 0.00 0.00 57.97 61.68 2jnf h PHE 149 Cb 0.41 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.89 2jnf h PHE 149 CO 0.03 1.09 -0.07 0.52 -2.02 0.00 0.00 178.31 177.86 2jnf h MET 150 N 0.12 0.00 0.00 1.11 0.00 -1.36 -1.93 114.93 112.87 2jnf h MET 150 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 59.70 59.59 2jnf h MET 150 Cb 1.65 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 33.24 2jnf h MET 150 CO 0.16 0.07 -0.19 0.78 0.00 0.00 0.00 176.91 177.73 2jnf h GLY 151 N 0.76 0.00 0.00 8.32 0.00 -0.96 -0.67 103.07 110.52 2jnf h GLY 151 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jnf h GLY 151 CO 0.01 0.00 0.00 -0.62 0.00 0.00 0.00 176.54 175.93 2jnf n VAL 152 N -3.16 0.00 0.08 4.60 0.31 -0.75 -4.13 118.33 115.29 2jnf n VAL 152 Ca 0.03 0.41 -0.20 0.00 -0.01 0.00 0.00 64.34 64.57 2jnf n VAL 152 Cb 0.59 -1.33 -0.15 0.00 -0.91 0.00 0.00 33.84 32.04 2jnf n VAL 152 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 2jnf h MET 153 N 0.00 0.34 0.00 5.55 -1.53 -1.69 -3.23 114.93 114.36 2jnf h MET 153 Ca 0.00 -0.58 -0.07 0.00 -3.44 0.00 0.00 59.70 55.62 2jnf h MET 153 Cb 0.00 0.22 -0.01 0.00 -0.55 0.00 0.00 31.60 31.26 2jnf h MET 153 CO 0.00 1.23 -0.32 1.15 0.14 0.00 0.00 176.91 179.12 2jnf h THR 154 N 0.09 0.54 -0.10 -0.77 2.02 -1.67 -3.37 112.91 109.66 2jnf h THR 154 Ca -0.26 -1.77 -0.29 0.00 0.77 0.00 0.00 66.41 64.86 2jnf h THR 154 Cb 2.06 2.27 -0.07 0.00 -1.74 0.00 0.00 68.15 70.67 2jnf h THR 154 CO 0.19 0.31 0.32 0.61 0.37 0.00 0.00 175.52 177.32 2jnf n GLY 155 N 1.18 3.32 0.00 2.16 0.00 -0.26 -4.31 105.19 107.28 2jnf n GLY 155 Ca 0.03 -1.32 -0.00 0.00 0.00 0.00 0.00 46.02 44.73 2jnf n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jnf n GLY 156 N 2.51 -0.56 3.51 -0.02 0.00 -1.26 -4.90 105.19 104.48 2jnf n GLY 156 Ca 0.49 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 46.29 2jnf n GLY 156 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jnf n ASP 157 N -2.40 -5.98 -0.00 1.61 2.03 -1.26 -5.21 116.55 105.33 2jnf n ASP 157 Ca -0.00 -0.74 0.00 0.00 0.52 0.00 0.00 54.79 54.57 2jnf n ASP 157 Cb 0.02 -3.64 0.00 0.00 -0.72 0.00 0.00 41.12 36.78 2jnf n ASP 157 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66