#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jyn s SER 2 N 0.00 -1.34 -0.29 7.83 1.04 -1.26 -5.10 113.70 114.58 2jyn s SER 2 Ca 0.00 -0.84 -0.29 0.00 0.48 0.00 0.00 55.95 55.30 2jyn s SER 2 Cb 0.00 1.87 0.01 0.00 0.10 0.00 0.00 66.02 67.99 2jyn s SER 2 CO 0.00 -0.18 1.17 -0.89 0.98 0.00 0.00 173.24 174.32 2jyn s THR 3 N 1.82 4.37 -1.22 2.02 2.01 -1.26 -4.96 115.64 118.43 2jyn s THR 3 Ca 0.16 1.59 -0.20 0.00 0.31 0.00 0.00 61.69 63.55 2jyn s THR 3 Cb -0.05 -4.28 0.02 0.00 0.01 0.00 0.00 72.50 68.20 2jyn s THR 3 CO -0.07 -0.43 1.76 -0.36 -0.69 0.00 0.00 174.62 174.84 2jyn s PHE 4 N 3.84 2.50 -0.67 4.92 0.40 -1.26 -4.89 117.98 122.82 2jyn s PHE 4 Ca 0.50 -0.91 -0.27 0.00 -0.60 0.00 0.00 56.93 55.64 2jyn s PHE 4 Cb -0.15 -4.53 0.02 0.00 0.51 0.00 0.00 43.02 38.87 2jyn s PHE 4 CO 0.17 -1.67 1.42 -0.80 0.70 0.00 0.00 175.22 175.04 2jyn s ASN 5 N 5.05 5.99 0.37 1.36 0.01 -1.26 -5.01 114.94 121.45 2jyn s ASN 5 Ca 0.57 -0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.60 2jyn s ASN 5 Cb 0.02 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.10 2jyn s ASN 5 CO 0.07 -1.91 0.58 0.00 -1.51 0.00 0.00 177.10 174.33 2jyn s ALA 6 N 6.44 3.71 -1.01 0.60 0.00 -1.26 -5.03 121.76 125.21 2jyn s ALA 6 Ca 0.45 -0.94 -0.23 0.00 0.00 0.00 0.00 51.96 51.24 2jyn s ALA 6 Cb -0.09 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 20.91 2jyn s ALA 6 CO 0.18 -0.10 1.70 -2.00 0.00 0.00 0.00 175.76 175.54 2jyn s GLU 7 N -4.37 3.15 -0.32 0.00 2.12 -1.26 -4.95 118.70 113.07 2jyn s GLU 7 Ca 0.42 -0.88 -0.29 0.00 0.36 0.00 0.00 54.97 54.58 2jyn s GLU 7 Cb -0.10 -5.25 0.00 0.00 0.26 0.00 0.00 34.13 29.04 2jyn s GLU 7 CO 0.36 -2.79 1.32 0.95 -0.54 0.00 0.00 175.26 174.57 2jyn s THR 8 N 7.29 4.09 -0.71 -1.70 -4.23 -1.26 -4.95 115.64 114.17 2jyn s THR 8 Ca 0.57 1.21 -0.26 0.00 -1.18 0.00 0.00 61.69 62.04 2jyn s THR 8 Cb -0.02 -4.16 -0.06 0.00 1.34 0.00 0.00 72.50 69.59 2jyn s THR 8 CO -0.03 -0.53 2.10 0.00 -0.54 0.00 0.00 174.62 175.62 2jyn s ALA 9 N 4.57 1.62 0.33 3.99 0.00 -1.26 -4.82 121.76 126.19 2jyn s ALA 9 Ca 0.57 -0.80 -0.05 0.00 0.00 0.00 0.00 51.96 51.68 2jyn s ALA 9 Cb -0.16 -4.44 0.01 0.00 0.00 0.00 0.00 23.12 18.53 2jyn s ALA 9 CO 0.25 -4.68 0.51 0.34 0.00 0.00 0.00 175.76 172.18 2jyn s ASP 10 N 9.45 0.65 1.06 0.00 2.15 -1.26 -5.16 116.67 123.57 2jyn s ASP 10 Ca 0.79 -1.37 -0.14 0.00 0.43 0.00 0.00 52.55 52.26 2jyn s ASP 10 Cb -0.12 0.67 0.22 0.00 -0.30 0.00 0.00 42.92 43.39 2jyn s ASP 10 CO 0.13 -1.31 1.10 0.20 -0.17 0.00 0.00 175.17 175.11 2jyn s ASN 11 N -3.19 2.07 0.67 -0.34 0.02 -1.26 -4.69 114.94 108.22 2jyn s ASN 11 Ca 0.28 0.99 0.36 0.00 -1.02 0.00 0.00 52.86 53.47 2jyn s ASN 11 Cb -0.01 -1.53 1.94 0.00 0.02 0.00 0.00 41.25 41.67 2jyn s ASN 11 CO 0.17 -3.45 2.09 -0.07 0.02 0.00 0.00 177.10 175.87 2jyn h LEU 12 N -2.12 0.00 0.80 0.60 3.38 -2.00 -1.89 115.31 114.08 2jyn h LEU 12 Ca -0.52 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 2jyn h LEU 12 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2jyn h LEU 12 CO 0.51 0.00 -0.43 -0.33 0.09 0.00 0.00 178.44 178.28 2jyn h GLU 13 N 0.00 -1.10 0.00 1.13 4.39 -1.99 -0.51 114.58 116.50 2jyn h GLU 13 Ca 0.00 0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.66 2jyn h GLU 13 Cb 0.42 0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 2jyn h GLU 13 CO -0.00 -0.73 -0.55 0.22 -1.16 0.00 0.00 179.01 176.79 2jyn h ASP 14 N -1.14 0.00 -0.39 1.42 1.82 -1.70 -2.23 116.42 114.20 2jyn h ASP 14 Ca -0.11 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.50 2jyn h ASP 14 Cb 0.89 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.89 2jyn h ASP 14 CO 0.14 0.55 0.10 0.40 -1.61 0.00 0.00 179.24 178.82 2jyn h ILE 15 N 0.00 1.23 -0.13 2.25 1.08 -1.41 -1.85 117.51 118.69 2jyn h ILE 15 Ca -0.01 -0.78 -0.06 0.00 -0.39 0.00 0.00 64.86 63.63 2jyn h ILE 15 Cb 1.12 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 35.85 2jyn h ILE 15 CO 0.07 0.27 -0.20 -0.33 -0.69 0.00 0.00 178.15 177.27 2jyn h GLU 16 N 0.49 0.21 0.70 2.37 5.08 -0.85 -1.78 114.58 120.79 2jyn h GLU 16 Ca 0.12 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2jyn h GLU 16 Cb 0.31 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.54 2jyn h GLU 16 CO 0.00 0.41 -0.33 -0.22 -1.00 0.00 0.00 179.01 177.87 2jyn h LYS 17 N 0.19 -0.90 -0.30 2.33 3.64 -1.15 -0.39 116.57 119.98 2jyn h LYS 17 Ca 0.04 0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2jyn h LYS 17 Cb 0.47 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 2jyn h LYS 17 CO 0.03 -0.60 0.07 -0.56 -2.27 0.00 0.00 179.45 176.12 2jyn h GLN 18 N -1.12 0.43 -0.06 1.90 3.07 -1.35 -1.97 115.11 116.01 2jyn h GLN 18 Ca -0.10 -0.06 -0.01 0.00 0.09 0.00 0.00 58.65 58.57 2jyn h GLN 18 Cb 0.72 -0.08 -0.00 0.00 0.08 0.00 0.00 27.48 28.20 2jyn h GLN 18 CO 0.16 0.40 -0.01 0.35 0.09 0.00 0.00 178.83 179.82 2jyn h PHE 19 N 0.43 0.13 -0.26 0.06 3.57 -1.38 -2.81 116.94 116.68 2jyn h PHE 19 Ca 0.10 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2jyn h PHE 19 Cb 0.17 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2jyn h PHE 19 CO 0.01 0.44 0.11 0.00 -2.23 0.00 0.00 178.31 176.64 2jyn h ALA 20 N 0.68 0.33 -0.16 2.41 0.00 -0.39 -1.41 119.26 120.72 2jyn h ALA 20 Ca 0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2jyn h ALA 20 Cb 0.39 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2jyn h ALA 20 CO 0.01 -0.09 -0.03 -0.24 0.00 0.00 0.00 179.25 178.89 2jyn h VAL 21 N 0.27 1.28 0.00 0.00 3.04 -1.50 -1.77 116.25 117.58 2jyn h VAL 21 Ca 0.09 -0.96 -0.06 0.00 -1.01 0.00 0.00 66.70 64.75 2jyn h VAL 21 Cb 0.15 1.60 -0.01 0.00 -2.01 0.00 0.00 31.29 31.01 2jyn h VAL 21 CO -0.01 0.28 -0.29 1.62 -1.01 0.00 0.00 177.57 178.16 2jyn h VAL 22 N 0.01 1.15 0.28 1.51 3.04 -1.45 -1.45 116.25 119.34 2jyn h VAL 22 Ca 0.04 -1.02 -0.01 0.00 -1.01 0.00 0.00 66.70 64.69 2jyn h VAL 22 Cb 0.45 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 2jyn h VAL 22 CO 0.01 0.29 -0.13 0.00 -1.01 0.00 0.00 177.57 176.73 2jyn h ALA 23 N 1.71 -0.38 -0.16 3.17 0.00 -1.16 -2.67 119.26 119.77 2jyn h ALA 23 Ca -0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 2jyn h ALA 23 Cb 0.54 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2jyn h ALA 23 CO 0.04 -0.44 -0.27 -0.39 0.00 0.00 0.00 179.25 178.18 2jyn h VAL 24 N -0.92 1.25 0.03 0.00 -1.51 -1.20 -1.50 116.25 112.41 2jyn h VAL 24 Ca -0.04 -1.20 -0.00 0.00 -1.23 0.00 0.00 66.70 64.23 2jyn h VAL 24 Cb 0.51 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 2jyn h VAL 24 CO 0.06 0.37 -0.01 -0.33 -1.23 0.00 0.00 177.57 176.43 2jyn h GLU 25 N 0.26 -0.04 -0.31 5.19 5.08 -1.37 -0.98 114.58 122.41 2jyn h GLU 25 Ca 0.04 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2jyn h GLU 25 Cb 0.62 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2jyn h GLU 25 CO 0.04 0.19 0.21 0.37 -1.00 0.00 0.00 179.01 178.82 2jyn h GLN 26 N -0.26 0.40 0.13 2.33 5.75 -1.15 -0.30 115.11 122.01 2jyn h GLN 26 Ca -0.00 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 2jyn h GLN 26 Cb 0.24 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.70 2jyn h GLN 26 CO 0.01 0.26 -0.06 0.00 -2.65 0.00 0.00 178.83 176.39 2jyn h ALA 27 N 1.81 -0.17 -0.09 3.38 0.00 -1.13 -2.71 119.26 120.35 2jyn h ALA 27 Ca 0.12 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 2jyn h ALA 27 Cb -0.03 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2jyn h ALA 27 CO -0.03 -0.28 -0.72 1.05 0.00 0.00 0.00 179.25 179.27 2jyn h GLU 28 N -0.80 0.43 -0.18 0.00 4.11 -1.05 -2.41 114.58 114.67 2jyn h GLU 28 Ca -0.02 -0.34 -0.04 0.00 0.07 0.00 0.00 59.36 59.03 2jyn h GLU 28 Cb 0.55 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2jyn h GLU 28 CO 0.03 0.98 -0.03 1.15 0.07 0.00 0.00 179.01 181.21 2jyn h THR 29 N 0.29 1.28 -0.96 -1.06 2.02 -1.19 -1.89 112.91 111.40 2jyn h THR 29 Ca -0.03 -0.96 0.10 0.00 0.77 0.00 0.00 66.41 66.28 2jyn h THR 29 Cb 1.30 1.55 -0.08 0.00 -1.74 0.00 0.00 68.15 69.18 2jyn h THR 29 CO 0.13 0.29 0.60 0.22 0.37 0.00 0.00 175.52 177.12 2jyn h TYR 30 N 0.06 1.10 0.56 3.16 3.20 -1.44 -0.37 116.97 123.24 2jyn h TYR 30 Ca 0.05 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 2jyn h TYR 30 Cb 0.45 -0.35 0.01 0.00 1.54 0.00 0.00 36.73 38.38 2jyn h TYR 30 CO 0.05 0.48 -0.27 2.35 -1.64 0.00 0.00 178.16 179.13 2jyn h TRP 31 N 1.01 -0.70 0.00 -3.82 2.91 -1.30 -2.57 115.95 111.48 2jyn h TRP 31 Ca 0.45 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.46 2jyn h TRP 31 Cb 0.35 0.23 0.00 0.00 -0.51 0.00 0.00 29.16 29.23 2jyn h TRP 31 CO -0.02 -0.41 0.00 1.57 -1.03 0.00 0.00 178.44 178.56 2jyn h LYS 32 N -0.82 0.00 -0.12 2.65 5.09 -0.98 -1.34 116.57 121.05 2jyn h LYS 32 Ca -0.08 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.56 2jyn h LYS 32 Cb 0.60 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.94 2jyn h LYS 32 CO 0.13 0.00 -0.35 -0.07 -2.09 0.00 0.00 179.45 177.07 2jyn h LEU 33 N 0.00 0.50 -0.09 7.07 3.38 -1.04 -3.21 115.31 121.94 2jyn h LEU 33 Ca 0.00 -0.60 -0.02 0.00 0.09 0.00 0.00 57.88 57.35 2jyn h LEU 33 Cb 0.50 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2jyn h LEU 33 CO 0.00 1.02 -0.02 -0.07 0.09 0.00 0.00 178.44 179.45 2jyn h LEU 34 N 0.02 0.17 -2.10 1.67 3.38 -0.99 -1.41 115.31 116.04 2jyn h LEU 34 Ca -0.01 -0.37 0.08 0.00 0.09 0.00 0.00 57.88 57.67 2jyn h LEU 34 Cb 0.97 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2jyn h LEU 34 CO 0.07 0.50 0.25 0.71 0.09 0.00 0.00 178.44 180.07 2jyn h THR 35 N -0.17 0.63 0.00 0.22 1.35 -1.31 -2.63 112.91 110.99 2jyn h THR 35 Ca 0.02 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.80 2jyn h THR 35 Cb 0.43 0.81 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 2jyn h THR 35 CO 0.01 0.00 -0.61 0.28 -0.25 0.00 0.00 175.52 174.95 2jyn h SER 36 N 0.00 0.00 -4.61 5.36 0.02 -1.54 -3.45 113.55 109.33 2jyn h SER 36 Ca 0.14 -0.33 -0.32 0.00 -0.84 0.00 0.00 61.79 60.43 2jyn h SER 36 Cb 0.63 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 62.95 2jyn h SER 36 CO -0.00 1.01 -0.75 0.68 -1.14 0.00 0.00 176.83 176.63 2jyn s VAL 37 N -2.17 0.70 0.64 2.27 -7.23 -0.54 -5.11 120.40 108.96 2jyn s VAL 37 Ca -0.18 -1.07 -0.18 0.00 -1.81 0.00 0.00 61.98 58.74 2jyn s VAL 37 Cb 0.02 -0.73 -0.02 0.00 0.56 0.00 0.00 36.38 36.22 2jyn s VAL 37 CO 0.39 -0.29 1.26 -2.65 -0.31 0.00 0.00 175.10 173.50 2jyn n PRO 38 N 1.55 1.12 -1.11 4.82 -0.02 -1.26 -3.87 135.00 136.22 2jyn n PRO 38 Ca -0.21 0.44 -0.17 0.00 -2.02 0.00 0.00 63.50 61.53 2jyn n PRO 38 Cb 0.55 -2.49 -0.08 0.00 -0.02 0.00 0.00 33.50 31.45 2jyn n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jyn n GLY 39 N 0.96 3.60 0.09 -1.23 0.00 -1.26 -4.27 105.19 103.08 2jyn n GLY 39 Ca 0.15 -1.32 -0.18 0.00 0.00 0.00 0.00 46.02 44.68 2jyn n GLY 39 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jyn h SER 40 N 2.58 0.00 1.06 1.61 0.02 -1.98 -3.37 113.55 113.46 2jyn h SER 40 Ca 0.26 -0.58 -0.12 0.00 -0.84 0.00 0.00 61.79 60.51 2jyn h SER 40 Cb 1.08 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 2jyn h SER 40 CO 0.52 1.27 -0.56 0.07 -1.14 0.00 0.00 176.83 176.98 2jyn h LYS 41 N -1.00 0.00 -6.27 3.45 -0.00 -1.99 -3.43 116.57 107.33 2jyn h LYS 41 Ca -0.22 0.00 -0.53 0.00 -0.00 0.00 0.00 60.65 59.90 2jyn h LYS 41 Cb 1.11 0.00 -0.06 0.00 -0.00 0.00 0.00 32.23 33.29 2jyn h LYS 41 CO -0.13 0.56 1.17 -0.51 -0.00 0.00 0.00 179.45 180.54 2jyn s LEU 42 N -6.86 3.33 -0.05 7.07 1.43 -1.26 -4.97 118.68 117.37 2jyn s LEU 42 Ca 0.01 0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.35 2jyn s LEU 42 Cb 0.10 -2.83 0.00 0.00 0.03 0.00 0.00 46.19 43.49 2jyn s LEU 42 CO 0.74 -1.92 -0.16 -0.13 0.23 0.00 0.00 176.35 175.11 2jyn s ARG 43 N 5.99 1.78 0.11 1.70 1.81 -1.26 -4.91 118.95 124.16 2jyn s ARG 43 Ca 0.54 -0.55 -0.14 0.00 -1.72 0.00 0.00 55.73 53.86 2jyn s ARG 43 Cb -0.11 -1.50 -0.07 0.00 -0.45 0.00 0.00 34.95 32.81 2jyn s ARG 43 CO 0.22 0.17 1.44 -0.07 -0.68 0.00 0.00 175.30 176.38 2jyn h LEU 44 N 6.50 0.77 -9.03 2.53 3.38 -1.98 -3.46 115.31 114.01 2jyn h LEU 44 Ca -0.31 -0.46 -0.50 0.00 0.09 0.00 0.00 57.88 56.71 2jyn h LEU 44 Cb 1.18 -0.21 -0.13 0.00 0.09 0.00 0.00 40.66 41.59 2jyn h LEU 44 CO 0.48 1.06 -0.49 0.42 0.09 0.00 0.00 178.44 180.00 2jyn s THR 45 N -4.42 0.12 -0.34 0.22 -4.23 -1.26 -5.03 115.64 100.69 2jyn s THR 45 Ca -0.12 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.60 2jyn s THR 45 Cb 0.09 -2.45 0.22 0.00 1.34 0.00 0.00 72.50 71.69 2jyn s THR 45 CO 0.83 0.00 1.46 0.50 -0.54 0.00 0.00 174.62 176.87 2jyn h LYS 46 N 2.05 0.00 -0.56 3.99 3.64 -2.03 -3.27 116.57 120.38 2jyn h LYS 46 Ca -0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2jyn h LYS 46 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2jyn h LYS 46 CO 0.40 0.11 0.00 1.19 -2.27 0.00 0.00 179.45 178.88 2jyn n PHE 47 N -3.05 0.85 -0.17 1.91 3.72 -1.26 -4.55 117.46 114.91 2jyn n PHE 47 Ca 0.02 -0.35 -0.08 0.00 -0.05 0.00 0.00 57.45 57.00 2jyn n PHE 47 Cb 0.58 -0.14 0.01 0.00 -0.94 0.00 0.00 39.48 39.00 2jyn n PHE 47 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 2jyn h ASP 48 N 2.51 0.61 -0.63 4.37 2.03 -1.96 -1.99 116.42 121.36 2jyn h ASP 48 Ca 0.00 -0.08 -0.04 0.00 -0.73 0.00 0.00 57.03 56.18 2jyn h ASP 48 Cb 0.91 -0.15 -0.03 0.00 -0.83 0.00 0.00 39.33 39.22 2jyn h ASP 48 CO 0.12 0.51 0.22 -0.78 -1.03 0.00 0.00 179.24 178.27 2jyn h ASP 49 N 0.65 0.90 0.67 4.15 3.58 -1.88 -2.69 116.42 121.81 2jyn h ASP 49 Ca 0.17 -0.19 -0.14 0.00 0.42 0.00 0.00 57.03 57.29 2jyn h ASP 49 Cb 0.03 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.82 2jyn h ASP 49 CO -0.03 0.85 -0.68 1.05 -2.88 0.00 0.00 179.24 177.55 2jyn h GLU 50 N 0.89 0.00 -0.62 0.28 4.11 -1.84 -2.41 114.58 115.00 2jyn h GLU 50 Ca 0.21 -0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.66 2jyn h GLU 50 Cb 0.26 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 2jyn h GLU 50 CO -0.01 0.68 0.37 0.82 0.07 0.00 0.00 179.01 180.94 2jyn h ILE 51 N 0.00 1.05 0.04 -1.06 2.04 -1.03 -0.12 117.51 118.44 2jyn h ILE 51 Ca -0.01 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 2jyn h ILE 51 Cb 1.20 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2jyn h ILE 51 CO 0.09 0.13 -0.02 0.22 0.00 0.00 0.00 178.15 178.57 2jyn h TYR 52 N 0.72 -0.05 0.93 1.37 3.20 -1.38 -2.25 116.97 119.51 2jyn h TYR 52 Ca 0.25 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.08 2jyn h TYR 52 Cb 0.05 0.02 0.01 0.00 1.54 0.00 0.00 36.73 38.35 2jyn h TYR 52 CO -0.06 -0.02 -0.45 0.93 -1.64 0.00 0.00 178.16 176.93 2jyn h GLU 53 N -0.08 -1.20 0.00 1.82 5.08 -0.98 -1.59 114.58 117.63 2jyn h GLU 53 Ca -0.01 0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2jyn h GLU 53 Cb 0.06 0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2jyn h GLU 53 CO 0.01 -0.80 -0.00 -0.91 -1.00 0.00 0.00 179.01 176.30 2jyn h ASN 54 N -1.28 0.00 -0.04 1.42 2.35 -1.15 0.75 115.58 117.62 2jyn h ASN 54 Ca -0.13 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.60 2jyn h ASN 54 Cb 0.95 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.32 2jyn h ASN 54 CO 0.21 0.00 -0.05 0.15 -1.65 0.00 0.00 177.43 176.10 2jyn h PHE 55 N 0.00 0.13 0.00 1.19 3.57 -1.04 -2.23 116.94 118.55 2jyn h PHE 55 Ca -0.00 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 2jyn h PHE 55 Cb 0.09 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 2jyn h PHE 55 CO 0.00 0.57 -0.20 0.00 -2.23 0.00 0.00 178.31 176.46 2jyn h MET 56 N -0.36 0.00 0.00 1.11 -0.00 -0.21 0.75 114.93 116.22 2jyn h MET 56 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.71 2jyn h MET 56 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.16 2jyn h MET 56 CO 0.01 0.20 -0.00 0.93 -0.00 0.00 0.00 176.91 178.05 2jyn h GLU 57 N 0.00 -0.00 0.00 -0.10 5.08 -1.01 -3.06 114.58 115.49 2jyn h GLU 57 Ca -0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 2jyn h GLU 57 Cb 1.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 2jyn h GLU 57 CO 0.03 0.87 -0.79 0.00 -1.00 0.00 0.00 179.01 178.12 2jyn h ARG 58 N -0.98 0.00 -2.88 2.33 -0.00 -1.48 -3.38 114.38 108.00 2jyn h ARG 58 Ca -0.00 0.00 -0.61 0.00 -0.50 0.00 0.00 59.98 58.87 2jyn h ARG 58 Cb 0.87 0.00 -0.41 0.00 0.00 0.00 0.00 29.97 30.43 2jyn h ARG 58 CO 0.00 0.45 -0.66 1.19 0.00 0.00 0.00 179.97 180.95 2jyn n PHE 59 N -3.13 2.40 1.86 3.04 3.01 0.26 -4.91 117.46 119.99 2jyn n PHE 59 Ca -0.01 -4.10 0.09 0.00 1.01 0.00 0.00 57.45 54.44 2jyn n PHE 59 Cb 0.77 -0.44 0.55 0.00 -0.01 0.00 0.00 39.48 40.34 2jyn n PHE 59 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2jyn n PRO 60 N 2.06 0.93 0.23 -1.08 -0.04 -1.16 -2.75 135.00 133.19 2jyn n PRO 60 Ca 0.23 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.83 2jyn n PRO 60 Cb 0.38 -1.31 0.45 0.00 -0.04 0.00 0.00 33.50 32.98 2jyn n PRO 60 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2jyn h GLU 61 N 0.00 0.00 -0.00 0.54 4.11 -1.91 -3.19 114.58 114.13 2jyn h GLU 61 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jyn h GLU 61 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2jyn h GLU 61 CO 0.00 0.00 -0.78 0.98 0.07 0.00 0.00 179.01 179.28 2jyn n TYR 62 N -2.94 0.00 0.20 2.06 4.19 -1.11 -4.70 117.16 114.85 2jyn n TYR 62 Ca 0.02 0.00 0.17 0.00 3.31 0.00 0.00 57.90 61.40 2jyn n TYR 62 Cb 0.39 0.00 0.81 0.00 0.49 0.00 0.00 39.34 41.03 2jyn n TYR 62 CO 0.00 0.00 0.00 1.57 0.91 0.00 0.00 176.86 179.34 2jyn h LYS 63 N 0.64 0.00 -6.99 2.98 2.10 -1.66 -3.26 116.57 110.39 2jyn h LYS 63 Ca 0.00 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.12 2jyn h LYS 63 Cb 0.53 0.00 0.10 0.00 -0.90 0.00 0.00 32.23 31.96 2jyn h LYS 63 CO 0.00 0.00 0.62 -0.51 -2.00 0.00 0.00 179.45 177.56 2jyn s ASP 64 N -5.93 5.93 0.44 7.07 1.11 -1.26 -4.86 116.67 119.16 2jyn s ASP 64 Ca -0.05 2.70 0.10 0.00 0.18 0.00 0.00 52.55 55.48 2jyn s ASP 64 Cb 0.16 -2.64 0.98 0.00 1.07 0.00 0.00 42.92 42.49 2jyn s ASP 64 CO 0.57 -1.12 2.08 0.58 1.18 0.00 0.00 175.17 178.47 2jyn h VAL 65 N 2.09 1.08 -0.26 -1.27 2.07 -1.99 0.51 116.25 118.48 2jyn h VAL 65 Ca -0.50 -0.16 -0.18 0.00 0.82 0.00 0.00 66.70 66.68 2jyn h VAL 65 Cb 1.26 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2jyn h VAL 65 CO 0.61 0.08 -0.53 -0.33 0.02 0.00 0.00 177.57 177.42 2jyn h GLU 66 N 0.37 0.82 0.00 1.57 5.08 -1.91 0.25 114.58 120.75 2jyn h GLU 66 Ca 0.10 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2jyn h GLU 66 Cb -0.03 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2jyn h GLU 66 CO -0.02 1.16 0.00 0.00 -1.00 0.00 0.00 179.01 179.15 2jyn h ARG 67 N 0.58 0.00 0.16 2.33 2.47 -1.51 -2.64 114.38 115.76 2jyn h ARG 67 Ca 0.01 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.45 2jyn h ARG 67 Cb 1.14 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.47 2jyn h ARG 67 CO 0.12 0.00 -1.32 0.28 0.56 0.00 0.00 179.97 179.60 2jyn h VAL 68 N 0.00 1.18 -0.23 2.04 2.07 -0.74 -3.41 116.25 117.16 2jyn h VAL 68 Ca 0.00 -2.50 -0.10 0.00 0.82 0.00 0.00 66.70 64.92 2jyn h VAL 68 Cb 0.43 2.90 -0.00 0.00 -1.52 0.00 0.00 31.29 33.10 2jyn h VAL 68 CO 0.00 0.75 -0.24 0.07 0.02 0.00 0.00 177.57 178.17 2jyn h LYS 69 N -0.19 0.56 -4.62 1.57 2.10 -0.65 -3.41 116.57 111.93 2jyn h LYS 69 Ca -0.26 -0.30 -0.22 0.00 -2.00 0.00 0.00 60.65 57.87 2jyn h LYS 69 Cb 1.85 0.01 -0.15 0.00 -0.90 0.00 0.00 32.23 33.04 2jyn h LYS 69 CO 0.14 0.89 -0.69 -1.59 -2.00 0.00 0.00 179.45 176.20 2jyn s LYS 70 N -4.32 0.83 0.26 0.07 0.00 -1.02 -0.69 119.74 114.87 2jyn s LYS 70 Ca -0.13 -1.34 -0.10 0.00 0.00 0.00 0.00 55.97 54.40 2jyn s LYS 70 Cb 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 37.83 37.73 2jyn s LYS 70 CO 0.80 -0.04 0.45 -0.59 0.00 0.00 0.00 175.35 175.97 2jyn s PHE 71 N -3.66 0.57 0.07 1.78 -0.71 -0.68 -4.59 117.98 110.76 2jyn s PHE 71 Ca 0.12 -0.90 -0.00 0.00 -1.04 0.00 0.00 56.93 55.11 2jyn s PHE 71 Cb 0.06 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.90 2jyn s PHE 71 CO -0.05 -1.00 -0.02 0.99 -1.34 0.00 0.00 175.22 173.80 2jyn s THR 72 N -3.81 0.30 0.46 -4.49 2.01 -1.26 -4.65 115.64 104.19 2jyn s THR 72 Ca 0.26 -1.85 0.26 0.00 0.31 0.00 0.00 61.69 60.66 2jyn s THR 72 Cb 0.00 -1.65 0.29 0.00 0.01 0.00 0.00 72.50 71.15 2jyn s THR 72 CO 0.11 -0.88 2.10 1.05 -0.69 0.00 0.00 174.62 176.31 2jyn h GLU 73 N 3.06 0.00 -0.27 4.92 4.11 -1.99 -3.17 114.58 121.25 2jyn h GLU 73 Ca -0.34 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.15 2jyn h GLU 73 Cb 1.16 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.34 2jyn h GLU 73 CO 0.65 0.10 -0.12 0.93 0.07 0.00 0.00 179.01 180.64 2jyn h GLU 74 N 0.00 -0.08 0.00 1.06 4.39 -2.00 -0.48 114.58 117.47 2jyn h GLU 74 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jyn h GLU 74 Cb 0.26 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2jyn h GLU 74 CO 0.01 -0.05 0.00 1.05 -1.16 0.00 0.00 179.01 178.86 2jyn h GLU 75 N -0.08 0.00 0.00 2.33 4.11 -1.99 -2.89 114.58 116.07 2jyn h GLU 75 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 2jyn h GLU 75 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2jyn h GLU 75 CO -0.33 0.00 -0.90 1.28 0.07 0.00 0.00 179.01 179.14 2jyn n LEU 76 N -2.89 0.76 0.15 3.06 4.77 -0.31 -4.17 117.00 118.38 2jyn n LEU 76 Ca 0.01 0.24 0.13 0.00 -0.03 0.00 0.00 56.01 56.36 2jyn n LEU 76 Cb 0.29 -0.10 0.40 0.00 -2.33 0.00 0.00 43.42 41.68 2jyn n LEU 76 CO 0.26 -0.11 0.88 0.11 -1.33 0.00 0.00 177.39 177.19 2jyn h LYS 77 N 0.00 0.00 -7.17 3.23 1.79 -1.01 -3.33 116.57 110.08 2jyn h LYS 77 Ca 0.00 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.98 2jyn h LYS 77 Cb 0.88 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.59 2jyn h LYS 77 CO 0.00 0.00 0.38 -0.08 -1.08 0.00 0.00 179.45 178.67 2jyn s THR 78 N -3.22 3.74 0.29 -0.16 -1.32 -1.26 -4.95 115.64 108.76 2jyn s THR 78 Ca 0.08 0.88 0.03 0.00 -1.21 0.00 0.00 61.69 61.47 2jyn s THR 78 Cb 0.10 -3.37 0.28 0.00 -1.51 0.00 0.00 72.50 68.00 2jyn s THR 78 CO 0.57 -0.43 1.70 0.50 -2.21 0.00 0.00 174.62 174.75 2jyn h LYS 79 N 0.65 0.41 0.46 7.08 3.64 -1.95 -2.74 116.57 124.12 2jyn h LYS 79 Ca -0.47 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 2jyn h LYS 79 Cb 1.22 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 2jyn h LYS 79 CO 0.57 0.27 -0.34 0.93 -2.27 0.00 0.00 179.45 178.62 2jyn h GLU 80 N 0.42 -0.74 -0.10 1.90 4.39 -1.94 -3.20 114.58 115.32 2jyn h GLU 80 Ca 0.55 0.05 0.03 0.00 0.34 0.00 0.00 59.36 60.33 2jyn h GLU 80 Cb 1.02 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.81 2jyn h GLU 80 CO -0.51 -0.49 -0.07 0.00 -1.16 0.00 0.00 179.01 176.78 2jyn h ALA 81 N -1.33 0.02 -0.67 3.43 0.00 -1.74 0.10 119.26 119.07 2jyn h ALA 81 Ca -0.06 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2jyn h ALA 81 Cb 0.63 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 2jyn h ALA 81 CO 0.03 -0.53 0.41 0.87 0.00 0.00 0.00 179.25 180.03 2jyn h LYS 82 N -0.07 0.77 -0.23 0.00 1.57 -1.66 0.11 116.57 117.05 2jyn h LYS 82 Ca 0.06 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 2jyn h LYS 82 Cb 0.16 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2jyn h LYS 82 CO -0.14 0.51 -0.37 0.93 -0.57 0.00 0.00 179.45 179.80 2jyn h GLU 83 N 0.79 0.51 0.00 3.15 5.08 -1.42 -2.82 114.58 119.87 2jyn h GLU 83 Ca 0.28 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 2jyn h GLU 83 Cb 0.06 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2jyn h GLU 83 CO -0.13 0.80 -0.28 0.00 -1.00 0.00 0.00 179.01 178.41 2jyn h ARG 84 N 0.43 0.00 -0.79 2.33 3.08 0.66 0.09 114.38 120.18 2jyn h ARG 84 Ca 0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2jyn h ARG 84 Cb 0.84 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.86 2jyn h ARG 84 CO 0.07 0.28 0.41 -1.49 -1.07 0.00 0.00 179.97 178.16 2jyn h TRP 85 N 0.00 1.11 -0.13 3.04 4.06 -0.61 -0.32 115.95 123.09 2jyn h TRP 85 Ca -0.00 -0.04 -0.03 0.00 2.06 0.00 0.00 58.89 60.87 2jyn h TRP 85 Cb 0.52 -0.35 -0.00 0.00 -1.00 0.00 0.00 29.16 28.33 2jyn h TRP 85 CO 0.00 0.79 -0.05 -0.09 -3.56 0.00 0.00 178.44 175.54 2jyn h ARG 86 N 1.10 0.26 -0.23 0.49 2.43 -1.03 -0.81 114.38 116.59 2jyn h ARG 86 Ca 0.27 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 2jyn h ARG 86 Cb 0.07 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2jyn h ARG 86 CO -0.04 0.57 0.16 0.87 -1.51 0.00 0.00 179.97 180.02 2jyn h LYS 87 N -0.06 0.26 -0.11 0.20 6.56 -0.96 -0.23 116.57 122.23 2jyn h LYS 87 Ca 0.03 -0.02 -0.23 0.00 -1.06 0.00 0.00 60.65 59.38 2jyn h LYS 87 Cb 0.49 -0.06 0.01 0.00 -0.57 0.00 0.00 32.23 32.10 2jyn h LYS 87 CO 0.02 0.17 -0.83 0.35 -2.06 0.00 0.00 179.45 177.10 2jyn h PHE 88 N 0.27 1.04 -0.59 -1.35 3.57 -0.97 -3.20 116.94 115.71 2jyn h PHE 88 Ca 0.09 -0.49 -0.01 0.00 3.53 0.00 0.00 57.97 61.09 2jyn h PHE 88 Cb 0.03 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 2jyn h PHE 88 CO -0.00 1.32 0.32 0.35 -2.23 0.00 0.00 178.31 178.07 2jyn h PHE 89 N 0.46 0.82 0.00 0.41 3.57 -0.55 -2.98 116.94 118.67 2jyn h PHE 89 Ca -0.07 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.40 2jyn h PHE 89 Cb 1.47 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.95 2jyn h PHE 89 CO 0.10 0.60 0.00 1.79 -2.23 0.00 0.00 178.31 178.57 2jyn h THR 90 N 0.80 0.00 0.01 4.41 1.35 -1.05 0.48 112.91 118.91 2jyn h THR 90 Ca 0.21 -0.07 -0.10 0.00 -0.55 0.00 0.00 66.41 65.89 2jyn h THR 90 Cb 0.06 0.67 0.01 0.00 -1.73 0.00 0.00 68.15 67.16 2jyn h THR 90 CO -0.03 0.00 -0.40 0.40 -0.25 0.00 0.00 175.52 175.24 2jyn h ILE 91 N 0.00 1.52 -0.71 6.82 2.04 -1.56 -3.38 117.51 122.23 2jyn h ILE 91 Ca 0.00 -2.08 0.00 0.00 1.00 0.00 0.00 64.86 63.78 2jyn h ILE 91 Cb 0.10 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 2jyn h ILE 91 CO 0.00 0.58 0.00 0.49 0.00 0.00 0.00 178.15 179.22 2jyn n PHE 92 N -4.38 0.95 0.29 1.37 3.72 0.70 -4.07 117.46 116.04 2jyn n PHE 92 Ca -0.10 -0.48 0.15 0.00 -0.05 0.00 0.00 57.45 56.97 2jyn n PHE 92 Cb 0.59 -0.00 0.90 0.00 -0.94 0.00 0.00 39.48 40.03 2jyn n PHE 92 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 2jyn h GLU 93 N 4.36 0.00 0.00 -1.08 4.11 -0.42 0.44 114.58 121.99 2jyn h GLU 93 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jyn h GLU 93 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2jyn h GLU 93 CO 0.00 0.03 -0.16 1.63 0.07 0.00 0.00 179.01 180.58 2jyn n LYS 94 N -3.69 0.19 0.12 1.06 4.76 -1.26 -4.58 118.16 114.76 2jyn n LYS 94 Ca -0.03 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 2jyn n LYS 94 Cb 0.12 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.62 2jyn n LYS 94 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2jyn n LYS 95 N -2.01 0.00 -2.80 1.97 0.00 -0.87 -4.98 118.16 109.48 2jyn n LYS 95 Ca 0.05 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.93 2jyn n LYS 95 Cb 0.41 -0.13 -0.02 0.00 -0.00 0.00 0.00 35.03 35.29 2jyn n LYS 95 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2jyn s ILE 96 N -2.00 4.52 -0.45 0.58 -1.09 0.15 -4.78 121.20 118.13 2jyn s ILE 96 Ca 0.00 -1.66 0.24 0.00 -2.23 0.00 0.00 60.65 56.99 2jyn s ILE 96 Cb 0.00 -4.93 0.34 0.00 -1.58 0.00 0.00 42.46 36.28 2jyn s ILE 96 CO 0.00 -1.71 1.64 -0.33 -1.23 0.00 0.00 174.94 173.31 2jyn h GLU 97 N 8.52 0.00 -0.67 2.79 5.08 -1.81 -3.31 114.58 125.18 2jyn h GLU 97 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2jyn h GLU 97 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2jyn h GLU 97 CO 1.26 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 179.02 2jyn n ASP 98 N -3.02 2.07 -0.11 1.42 9.92 -1.26 -4.61 116.55 120.94 2jyn n ASP 98 Ca 0.04 -2.20 0.21 0.00 -0.53 0.00 0.00 54.79 52.32 2jyn n ASP 98 Cb 0.51 -0.43 0.63 0.00 -0.64 0.00 0.00 41.12 41.20 2jyn n ASP 98 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 2jyn h TYR 99 N 1.25 0.18 -3.02 1.24 -0.00 -1.94 -3.30 116.97 111.38 2jyn h TYR 99 Ca 0.00 0.01 -0.61 0.00 -0.00 0.00 0.00 58.73 58.12 2jyn h TYR 99 Cb 0.75 -0.06 -0.40 0.00 -0.00 0.00 0.00 36.73 37.02 2jyn h TYR 99 CO 0.28 0.06 -0.73 1.21 -0.00 0.00 0.00 178.16 178.98 2jyn s ASN 100 N -5.93 3.70 0.03 0.10 2.47 -1.26 -0.81 114.94 113.23 2jyn s ASN 100 Ca -0.06 -2.65 0.00 0.00 0.42 0.00 0.00 52.86 50.57 2jyn s ASN 100 Cb 0.21 -1.08 0.00 0.00 -1.45 0.00 0.00 41.25 38.93 2jyn s ASN 100 CO 0.76 -0.26 0.00 0.33 -3.72 0.00 0.00 177.10 174.20 2jyn n PHE 101 N 3.52 -0.15 0.00 0.43 -0.00 -1.24 -4.97 117.46 115.04 2jyn n PHE 101 Ca 0.08 0.03 0.00 0.00 -0.00 0.00 0.00 57.45 57.56 2jyn n PHE 101 Cb 0.34 0.20 0.00 0.00 -0.00 0.00 0.00 39.48 40.02 2jyn n PHE 101 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2jyn n GLY 102 N 2.46 4.30 3.09 7.13 0.00 -1.26 -4.89 105.19 116.02 2jyn n GLY 102 Ca 0.00 -1.18 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 2jyn n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jyn s THR 103 N -0.87 0.14 -0.44 2.61 2.01 -0.59 -4.54 115.64 113.96 2jyn s THR 103 Ca 0.00 -1.18 -0.25 0.00 0.31 0.00 0.00 61.69 60.57 2jyn s THR 103 Cb 0.00 -0.91 0.02 0.00 0.01 0.00 0.00 72.50 71.63 2jyn s THR 103 CO 0.00 -0.65 0.90 -0.22 -0.69 0.00 0.00 174.62 173.96 2jyn s LEU 104 N -2.17 4.04 0.13 4.42 1.98 -1.25 -2.25 118.68 123.58 2jyn s LEU 104 Ca -0.04 0.16 0.08 0.00 -2.89 0.00 0.00 54.13 51.44 2jyn s LEU 104 Cb -0.01 -3.17 -0.04 0.00 0.66 0.00 0.00 46.19 43.63 2jyn s LEU 104 CO -0.05 -0.99 -0.12 -0.22 -1.89 0.00 0.00 176.35 173.08 2jyn s LEU 105 N 3.63 2.94 -0.07 -0.68 2.96 -1.02 -4.64 118.68 121.82 2jyn s LEU 105 Ca 0.36 -0.48 -0.19 0.00 -0.22 0.00 0.00 54.13 53.61 2jyn s LEU 105 Cb -0.11 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 2jyn s LEU 105 CO 0.24 0.16 0.52 0.00 -1.32 0.00 0.00 176.35 175.96 2jyn s ARG 106 N -2.35 4.29 0.00 1.98 3.03 -1.26 -1.54 118.95 123.10 2jyn s ARG 106 Ca 0.21 0.57 0.10 0.00 2.03 0.00 0.00 55.73 58.64 2jyn s ARG 106 Cb -0.10 -3.38 0.37 0.00 -1.03 0.00 0.00 34.95 30.80 2jyn s ARG 106 CO 0.13 0.28 1.28 0.25 -1.13 0.00 0.00 175.30 176.10 2jyn n THR 107 N 3.18 0.25 -3.55 4.99 -2.24 -0.35 -4.85 114.28 111.72 2jyn n THR 107 Ca -0.07 -0.28 -0.11 0.00 -2.27 0.00 0.00 64.05 61.32 2jyn n THR 107 Cb 0.51 0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.85 2jyn n THR 107 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jyn s ASP 108 N -1.14 -0.38 0.05 3.42 2.15 -1.25 -1.69 116.67 117.82 2jyn s ASP 108 Ca 0.19 -0.16 -0.30 0.00 0.43 0.00 0.00 52.55 52.72 2jyn s ASP 108 Cb 0.10 0.52 -0.18 0.00 -0.30 0.00 0.00 42.92 43.07 2jyn s ASP 108 CO 0.14 -0.89 1.46 0.00 -0.17 0.00 0.00 175.17 175.71 2jyn h ALA 109 N 2.25 -0.74 -0.57 3.66 0.00 -1.18 -3.22 119.26 119.47 2jyn h ALA 109 Ca -0.34 -0.19 -0.38 0.00 0.00 0.00 0.00 54.91 54.00 2jyn h ALA 109 Cb 1.27 0.29 -0.16 0.00 0.00 0.00 0.00 17.79 19.19 2jyn h ALA 109 CO 0.43 -0.85 0.50 -1.13 0.00 0.00 0.00 179.25 178.20 2jyn n SER 110 N -5.36 6.66 -4.83 0.00 3.41 -1.26 -4.75 113.62 107.49 2jyn n SER 110 Ca -0.12 -3.19 -0.36 0.00 -0.26 0.00 0.00 58.87 54.94 2jyn n SER 110 Cb 0.33 -1.04 -0.06 0.00 -0.26 0.00 0.00 64.21 63.17 2jyn n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jyn s ALA 111 N -2.16 3.56 0.36 7.33 0.00 -1.22 -5.11 121.76 124.53 2jyn s ALA 111 Ca 0.37 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.30 2jyn s ALA 111 Cb 0.29 -2.58 0.05 0.00 0.00 0.00 0.00 23.12 20.87 2jyn s ALA 111 CO -0.01 0.43 0.39 -0.85 0.00 0.00 0.00 175.76 175.72 2jyn n GLU 112 N 1.02 0.63 -2.98 0.00 0.28 -1.26 -5.02 120.64 113.31 2jyn n GLU 112 Ca -0.06 -1.31 -0.44 0.00 -0.16 0.00 0.00 57.16 55.19 2jyn n GLU 112 Cb 0.51 -0.18 -0.04 0.00 1.43 0.00 0.00 31.44 33.17 2jyn n GLU 112 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 2jyn s TYR 113 N -0.82 2.93 0.14 -1.84 1.13 -1.26 -4.18 117.35 113.45 2jyn s TYR 113 Ca 0.28 -0.94 -0.18 0.00 -1.41 0.00 0.00 57.07 54.81 2jyn s TYR 113 Cb -0.02 -4.18 0.04 0.00 -1.10 0.00 0.00 41.96 36.70 2jyn s TYR 113 CO 0.18 -1.47 0.47 0.20 -2.51 0.00 0.00 175.55 172.42 2jyn s GLY 114 N 3.59 -0.32 0.62 5.49 0.00 -1.26 -4.99 107.32 110.45 2jyn s GLY 114 Ca 0.21 0.05 0.34 0.00 0.00 0.00 0.00 44.72 45.32 2jyn s GLY 114 CO 0.03 -0.19 2.23 0.06 0.00 0.00 0.00 173.10 175.23 2jyn h GLN 115 N 2.25 0.00 0.00 2.90 3.07 -1.95 0.17 115.11 121.56 2jyn h GLN 115 Ca -0.33 0.00 -0.37 0.00 0.09 0.00 0.00 58.65 58.04 2jyn h GLN 115 Cb 1.27 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.76 2jyn h GLN 115 CO 0.43 0.00 -2.39 1.19 0.09 0.00 0.00 178.83 178.15 2jyn n PHE 116 N -3.50 0.00 0.88 0.06 3.72 -1.26 -4.51 117.46 112.84 2jyn n PHE 116 Ca -0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.50 2jyn n PHE 116 Cb 0.17 -0.97 0.28 0.00 -0.94 0.00 0.00 39.48 38.01 2jyn n PHE 116 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2jyn n THR 117 N -2.95 0.10 -3.86 4.37 -2.24 -0.82 -4.80 114.28 104.09 2jyn n THR 117 Ca -0.38 -0.08 -0.12 0.00 -2.27 0.00 0.00 64.05 61.21 2jyn n THR 117 Cb 1.07 0.05 -0.12 0.00 -2.10 0.00 0.00 70.33 69.22 2jyn n THR 117 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2jyn s THR 118 N -3.05 0.03 0.19 4.28 -4.23 0.53 -1.21 115.64 112.18 2jyn s THR 118 Ca 0.10 -0.22 0.01 0.00 -1.18 0.00 0.00 61.69 60.40 2jyn s THR 118 Cb 0.17 -0.21 -0.05 0.00 1.34 0.00 0.00 72.50 73.75 2jyn s THR 118 CO 0.68 -0.12 0.04 0.00 -0.54 0.00 0.00 174.62 174.68 2jyn s PHE 120 N -3.78 3.37 0.42 0.00 0.08 -1.26 -2.43 117.98 114.39 2jyn s PHE 120 Ca 0.28 0.95 0.05 0.00 0.12 0.00 0.00 56.93 58.32 2jyn s PHE 120 Cb 0.07 -2.82 -0.02 0.00 -0.57 0.00 0.00 43.02 39.68 2jyn s PHE 120 CO 0.06 -0.19 0.17 1.33 -0.10 0.00 0.00 175.22 176.49 2jyn n VAL 121 N 4.71 0.00 -2.28 -0.44 0.24 -0.95 -5.00 118.33 114.61 2jyn n VAL 121 Ca -0.01 -2.47 -0.25 0.00 -2.04 0.00 0.00 64.34 59.57 2jyn n VAL 121 Cb 0.50 0.92 0.07 0.00 -1.47 0.00 0.00 33.84 33.86 2jyn n VAL 121 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2jyn s VAL 122 N -3.17 2.32 0.23 3.34 -7.23 -1.26 -1.54 120.40 113.10 2jyn s VAL 122 Ca 0.23 -0.34 -0.07 0.00 -1.81 0.00 0.00 61.98 60.00 2jyn s VAL 122 Cb 0.01 -2.98 0.20 0.00 0.56 0.00 0.00 36.38 34.17 2jyn s VAL 122 CO 0.17 0.00 1.84 0.03 -0.31 0.00 0.00 175.10 176.83 2jyn h ARG 123 N -0.52 1.24 -0.06 4.82 2.47 -1.21 -1.81 114.38 119.30 2jyn h ARG 123 Ca -0.44 -0.16 0.00 0.00 -1.26 0.00 0.00 59.98 58.12 2jyn h ARG 123 Cb 1.31 -0.23 -0.00 0.00 -1.65 0.00 0.00 29.97 29.39 2jyn h ARG 123 CO 0.57 0.92 0.04 1.25 0.56 0.00 0.00 179.97 183.31 2jyn h LEU 124 N 1.23 0.07 -0.96 3.04 7.12 -1.61 -1.69 115.31 122.51 2jyn h LEU 124 Ca 0.30 -0.01 -0.11 0.00 0.13 0.00 0.00 57.88 58.19 2jyn h LEU 124 Cb 0.07 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.17 2jyn h LEU 124 CO -0.04 0.06 -0.47 1.56 -0.13 0.00 0.00 178.44 179.41 2jyn h GLN 125 N 0.07 0.10 0.49 1.25 1.08 -1.81 -0.75 115.11 115.55 2jyn h GLN 125 Ca 0.02 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 2jyn h GLN 125 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2jyn h GLN 125 CO -0.00 0.56 -0.38 0.35 -0.95 0.00 0.00 178.83 178.41 2jyn h PHE 126 N 0.08 -1.01 -0.77 2.96 3.57 -1.09 -2.85 116.94 117.82 2jyn h PHE 126 Ca 0.00 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 2jyn h PHE 126 Cb 0.87 0.38 -0.07 0.00 2.79 0.00 0.00 35.95 39.92 2jyn h PHE 126 CO 0.01 -0.55 0.42 1.88 -2.23 0.00 0.00 178.31 177.84 2jyn h TYR 127 N -0.85 0.76 0.44 0.41 0.05 -0.96 -1.14 116.97 115.68 2jyn h TYR 127 Ca -0.05 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 2jyn h TYR 127 Cb 0.73 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 2jyn h TYR 127 CO -0.16 0.29 -0.31 0.00 -1.05 0.00 0.00 178.16 176.93 2jyn h ALA 128 N 1.45 -1.09 0.00 3.88 0.00 -1.07 -1.61 119.26 120.82 2jyn h ALA 128 Ca 0.38 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.96 2jyn h ALA 128 Cb 0.38 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2jyn h ALA 128 CO -0.26 -1.08 -0.84 0.74 0.00 0.00 0.00 179.25 177.81 2jyn h PHE 129 N -0.72 0.04 0.44 0.00 0.04 -1.49 -2.94 116.94 112.32 2jyn h PHE 129 Ca -0.06 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.66 2jyn h PHE 129 Cb 0.59 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.74 2jyn h PHE 129 CO -0.08 0.86 -0.21 1.49 -0.60 0.00 0.00 178.31 179.77 2jyn h GLU 130 N 0.02 -0.57 -0.91 1.51 4.57 -1.23 -2.59 114.58 115.38 2jyn h GLU 130 Ca -0.01 0.04 0.13 0.00 -1.18 0.00 0.00 59.36 58.34 2jyn h GLU 130 Cb 1.48 0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 30.13 2jyn h GLU 130 CO 0.11 -0.38 0.58 0.82 -1.18 0.00 0.00 179.01 178.97 2jyn h ILE 131 N -0.91 0.86 0.32 2.32 2.04 -1.41 0.45 117.51 121.18 2jyn h ILE 131 Ca -0.06 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 2jyn h ILE 131 Cb 0.45 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 2jyn h ILE 131 CO 0.10 0.14 -0.45 0.00 0.00 0.00 0.00 178.15 177.94 2jyn h ALA 132 N 1.59 -1.05 0.00 1.87 0.00 -1.58 -2.37 119.26 117.73 2jyn h ALA 132 Ca 0.45 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2jyn h ALA 132 Cb 0.65 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2jyn h ALA 132 CO -0.21 -1.10 0.00 0.07 0.00 0.00 0.00 179.25 178.00 2jyn h ARG 133 N -0.80 0.00 0.47 0.00 0.11 -0.88 -1.88 114.38 111.41 2jyn h ARG 133 Ca -0.04 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.02 2jyn h ARG 133 Cb 0.73 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.81 2jyn h ARG 133 CO -0.13 0.00 -0.23 -0.91 0.10 0.00 0.00 179.97 178.81 2jyn h ASN 134 N 0.00 -0.54 1.04 0.08 -0.26 -0.60 0.20 115.58 115.51 2jyn h ASN 134 Ca 0.00 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.66 2jyn h ASN 134 Cb 0.39 0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.79 2jyn h ASN 134 CO 0.00 -0.16 -0.02 2.29 -1.06 0.00 0.00 177.43 178.48 2jyn n LYS 135 N -5.24 0.03 0.09 0.81 2.85 -0.92 -1.89 118.16 113.89 2jyn n LYS 135 Ca -0.10 0.03 0.13 0.00 -1.05 0.00 0.00 58.31 57.31 2jyn n LYS 135 Cb 0.30 -1.54 0.33 0.00 -0.65 0.00 0.00 35.03 33.48 2jyn n LYS 135 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2jyn n HIS 136 N -1.60 0.79 -1.02 5.58 8.25 -0.71 -4.96 115.22 121.56 2jyn n HIS 136 Ca 0.07 0.23 -0.01 0.00 -0.26 0.00 0.00 57.72 57.75 2jyn n HIS 136 Cb 0.35 -0.84 -0.00 0.00 1.12 0.00 0.00 29.99 30.62 2jyn n HIS 136 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jyn n GLY 137 N 1.32 0.46 0.15 -1.41 0.00 -0.79 -4.93 105.19 99.99 2jyn n GLY 137 Ca 0.05 -0.65 0.15 0.00 0.00 0.00 0.00 46.02 45.57 2jyn n GLY 137 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jyn n LEU 138 N -0.06 0.48 -0.14 0.99 4.32 0.65 -2.75 117.00 120.50 2jyn n LEU 138 Ca -0.01 -0.16 0.04 0.00 -0.02 0.00 0.00 56.01 55.86 2jyn n LEU 138 Cb 0.03 -0.01 -0.01 0.00 -1.62 0.00 0.00 43.42 41.81 2jyn n LEU 138 CO 0.01 0.08 0.15 -0.46 -1.22 0.00 0.00 177.39 175.95 2jyn n ASN 139 N -0.63 0.90 0.29 -1.43 6.94 -1.12 -4.48 115.26 115.73 2jyn n ASN 139 Ca 0.22 -0.95 0.18 0.00 -0.02 0.00 0.00 54.58 54.01 2jyn n ASN 139 Cb 0.19 0.57 0.76 0.00 -2.36 0.00 0.00 39.78 38.94 2jyn n ASN 139 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 2jyn h ASP 140 N 0.67 0.00 0.06 0.53 3.58 -1.81 -2.14 116.42 117.32 2jyn h ASP 140 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2jyn h ASP 140 Cb 0.23 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.28 2jyn h ASP 140 CO 0.00 0.01 -0.05 4.11 -2.88 0.00 0.00 179.24 180.43 2jyn h TRP 141 N 0.00 0.00 -0.06 0.28 5.08 -1.85 -2.71 115.95 116.69 2jyn h TRP 141 Ca -0.00 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.86 2jyn h TRP 141 Cb 0.44 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.59 2jyn h TRP 141 CO 0.00 0.05 -0.48 0.82 -1.28 0.00 0.00 178.44 177.54 2jyn h ILE 142 N 0.00 1.34 0.00 0.12 2.04 -1.76 -2.82 117.51 116.44 2jyn h ILE 142 Ca -0.00 -1.69 -0.03 0.00 1.00 0.00 0.00 64.86 64.14 2jyn h ILE 142 Cb 0.09 1.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2jyn h ILE 142 CO 0.01 0.49 -0.14 -0.37 0.00 0.00 0.00 178.15 178.14 2jyn h VAL 143 N 0.11 0.46 -1.24 1.67 -1.51 -1.62 -3.05 116.25 111.07 2jyn h VAL 143 Ca 0.00 -0.76 -0.57 0.00 -1.23 0.00 0.00 66.70 64.14 2jyn h VAL 143 Cb 0.90 1.53 -0.42 0.00 -2.13 0.00 0.00 31.29 31.17 2jyn h VAL 143 CO 0.07 0.14 -0.77 0.61 -1.23 0.00 0.00 177.57 176.39 2jyn n GLY 144 N -0.24 6.03 0.00 5.19 0.00 -1.07 -4.58 105.19 110.52 2jyn n GLY 144 Ca -0.01 -2.70 0.00 0.00 0.00 0.00 0.00 46.02 43.32 2jyn n GLY 144 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jyn n GLN 145 N -0.55 0.00 0.00 1.61 1.13 -1.15 -5.02 117.38 113.39 2jyn n GLN 145 Ca 0.40 0.27 0.00 0.00 -1.94 0.00 0.00 57.00 55.73 2jyn n GLN 145 Cb 0.77 -1.09 0.00 0.00 0.11 0.00 0.00 30.24 30.03 2jyn n GLN 145 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98