#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 7.30 -0.41 7.83 1.04 -1.26 -5.03 113.70 123.18 2jyn s SER 2 Ca 0.00 2.22 0.02 0.00 0.48 0.00 0.00 55.95 58.67 2jyn s SER 2 Cb 0.00 -2.62 0.15 0.00 0.10 0.00 0.00 66.02 63.65 2jyn s SER 2 CO 0.00 -0.12 0.27 -0.89 0.98 0.00 0.00 173.24 173.48 2jyn s THR 3 N -1.04 0.59 -0.41 2.02 2.01 -1.26 -5.08 115.64 112.47 2jyn s THR 3 Ca 0.45 -2.32 -0.06 0.00 0.31 0.00 0.00 61.69 60.07 2jyn s THR 3 Cb -0.31 -1.42 0.09 0.00 0.01 0.00 0.00 72.50 70.87 2jyn s THR 3 CO 0.39 -1.05 0.23 -0.36 -0.69 0.00 0.00 174.62 173.14 2jyn s PHE 4 N 0.47 3.43 0.32 4.92 0.08 -1.26 -5.09 117.98 120.85 2jyn s PHE 4 Ca 0.23 -1.91 0.09 0.00 0.12 0.00 0.00 56.93 55.46 2jyn s PHE 4 Cb -0.13 -3.04 -0.06 0.00 -0.57 0.00 0.00 43.02 39.22 2jyn s PHE 4 CO -0.07 -0.91 -0.10 -0.80 -0.10 0.00 0.00 175.22 173.24 2jyn s ASN 5 N 2.02 3.51 0.41 1.36 0.02 -1.26 -5.14 114.94 115.86 2jyn s ASN 5 Ca 0.04 -1.18 -0.22 0.00 -1.02 0.00 0.00 52.86 50.48 2jyn s ASN 5 Cb -0.23 -0.31 -0.10 0.00 0.02 0.00 0.00 41.25 40.63 2jyn s ASN 5 CO -0.01 -0.21 0.97 0.00 0.02 0.00 0.00 177.10 177.87 2jyn s ALA 6 N -2.68 3.05 -1.11 0.60 0.00 -1.26 -4.97 121.76 115.39 2jyn s ALA 6 Ca 0.31 0.47 -0.22 0.00 0.00 0.00 0.00 51.96 52.53 2jyn s ALA 6 Cb 0.02 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 2jyn s ALA 6 CO 0.15 0.06 1.82 -1.21 0.00 0.00 0.00 175.76 176.57 2jyn s GLU 7 N -2.92 3.02 -0.57 0.00 2.02 -1.26 -4.79 118.70 114.20 2jyn s GLU 7 Ca 0.60 -1.13 0.06 0.00 0.02 0.00 0.00 54.97 54.52 2jyn s GLU 7 Cb -0.13 -5.28 0.21 0.00 0.10 0.00 0.00 34.13 29.03 2jyn s GLU 7 CO 0.17 -3.17 0.57 0.25 0.02 0.00 0.00 175.26 173.10 2jyn n THR 8 N 7.37 0.95 -2.03 3.63 -2.24 -1.26 -5.13 114.28 115.57 2jyn n THR 8 Ca 0.43 -4.58 -0.34 0.00 -2.27 0.00 0.00 64.05 57.29 2jyn n THR 8 Cb 0.47 -2.02 0.02 0.00 -2.10 0.00 0.00 70.33 66.70 2jyn n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jyn s ALA 9 N -1.52 2.62 0.00 6.98 0.00 -1.26 -4.50 121.76 124.08 2jyn s ALA 9 Ca 0.34 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.91 2jyn s ALA 9 Cb 0.08 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2jyn s ALA 9 CO -0.11 -0.95 0.00 -0.25 0.00 0.00 0.00 175.76 174.45 2jyn n ASP 10 N -1.88 0.00 0.00 0.00 9.92 -1.26 -4.94 116.55 118.39 2jyn n ASP 10 Ca 0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.36 2jyn n ASP 10 Cb 0.52 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 2jyn n ASP 10 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2jyn n ASN 11 N 5.16 -0.51 -0.11 -2.24 2.85 -1.26 -1.13 115.26 118.01 2jyn n ASN 11 Ca 0.00 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.32 2jyn n ASN 11 Cb 0.00 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 40.89 2jyn n ASN 11 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2jyn n LEU 12 N 0.00 1.99 -0.16 1.20 4.77 -1.26 -4.50 117.00 119.04 2jyn n LEU 12 Ca 0.00 -0.07 -0.09 0.00 -0.03 0.00 0.00 56.01 55.81 2jyn n LEU 12 Cb 0.00 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 2jyn n LEU 12 CO 0.00 0.79 0.85 1.05 -1.33 0.00 0.00 177.39 178.75 2jyn h GLU 13 N 0.00 0.77 -0.05 3.23 -0.00 -1.94 -2.28 114.58 114.30 2jyn h GLU 13 Ca -0.56 -0.21 -0.17 0.00 -0.00 0.00 0.00 59.36 58.42 2jyn h GLU 13 Cb 2.02 -0.09 -0.01 0.00 -0.00 0.00 0.00 28.75 30.67 2jyn h GLU 13 CO -0.04 0.79 -0.71 0.22 -0.00 0.00 0.00 179.01 179.27 2jyn h ASP 14 N 0.64 0.32 0.46 3.06 1.82 -1.77 -0.54 116.42 120.42 2jyn h ASP 14 Ca 0.14 -0.21 -0.01 0.00 -0.39 0.00 0.00 57.03 56.55 2jyn h ASP 14 Cb 0.39 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.29 2jyn h ASP 14 CO 0.01 0.93 -0.32 0.40 -1.61 0.00 0.00 179.24 178.65 2jyn h ILE 15 N 0.19 0.35 0.00 2.25 1.08 -0.92 -1.01 117.51 119.44 2jyn h ILE 15 Ca -0.02 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.42 2jyn h ILE 15 Cb 1.26 0.35 -0.00 0.00 -3.07 0.00 0.00 36.82 35.36 2jyn h ILE 15 CO 0.11 0.00 -0.13 -0.33 -0.69 0.00 0.00 178.15 177.11 2jyn h GLU 16 N -0.76 0.00 0.31 2.37 5.08 -1.42 -2.50 114.58 117.66 2jyn h GLU 16 Ca -0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2jyn h GLU 16 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2jyn h GLU 16 CO 0.03 0.13 -0.15 -0.22 -1.00 0.00 0.00 179.01 177.80 2jyn h LYS 17 N 0.00 -0.40 -0.52 2.33 3.64 -1.05 -1.26 116.57 119.31 2jyn h LYS 17 Ca -0.00 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2jyn h LYS 17 Cb 1.00 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 2jyn h LYS 17 CO 0.02 -0.07 0.26 -0.56 -2.27 0.00 0.00 179.45 176.83 2jyn h GLN 18 N -0.91 0.71 -0.04 1.90 3.07 -1.22 -1.28 115.11 117.34 2jyn h GLN 18 Ca -0.04 -0.08 -0.00 0.00 0.09 0.00 0.00 58.65 58.62 2jyn h GLN 18 Cb 0.51 -0.14 -0.00 0.00 0.08 0.00 0.00 27.48 27.93 2jyn h GLN 18 CO 0.07 0.55 0.01 0.35 0.09 0.00 0.00 178.83 179.89 2jyn h PHE 19 N 0.72 0.06 -0.32 0.06 3.57 -1.52 -1.27 116.94 118.24 2jyn h PHE 19 Ca 0.18 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 2jyn h PHE 19 Cb 0.06 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 2jyn h PHE 19 CO 0.01 0.27 0.13 0.00 -2.23 0.00 0.00 178.31 176.49 2jyn h ALA 20 N 0.78 0.42 -0.07 2.41 0.00 -0.65 -1.55 119.26 120.60 2jyn h ALA 20 Ca 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2jyn h ALA 20 Cb 0.24 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2jyn h ALA 20 CO 0.00 0.01 -0.08 -0.24 0.00 0.00 0.00 179.25 178.94 2jyn h VAL 21 N 0.37 1.38 -0.04 0.00 3.04 -1.32 -2.75 116.25 116.94 2jyn h VAL 21 Ca 0.11 -1.27 -0.03 0.00 -1.01 0.00 0.00 66.70 64.50 2jyn h VAL 21 Cb 0.18 2.07 -0.01 0.00 -2.01 0.00 0.00 31.29 31.53 2jyn h VAL 21 CO -0.01 0.35 -0.12 1.62 -1.01 0.00 0.00 177.57 178.40 2jyn h VAL 22 N -0.27 1.11 -0.17 1.51 3.04 -1.21 -0.77 116.25 119.48 2jyn h VAL 22 Ca 0.01 -0.51 -0.04 0.00 -1.01 0.00 0.00 66.70 65.15 2jyn h VAL 22 Cb 0.60 1.22 -0.01 0.00 -2.01 0.00 0.00 31.29 31.10 2jyn h VAL 22 CO 0.02 0.15 -0.05 0.00 -1.01 0.00 0.00 177.57 176.68 2jyn h ALA 23 N 1.83 0.24 -0.08 3.17 0.00 -1.25 -1.33 119.26 121.84 2jyn h ALA 23 Ca 0.01 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 2jyn h ALA 23 Cb 0.25 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2jyn h ALA 23 CO 0.02 0.01 -0.75 -0.39 0.00 0.00 0.00 179.25 178.14 2jyn h VAL 24 N 0.04 1.37 -0.26 0.00 -1.51 -1.14 -1.35 116.25 113.41 2jyn h VAL 24 Ca 0.04 -2.15 -0.06 0.00 -1.23 0.00 0.00 66.70 63.30 2jyn h VAL 24 Cb 0.50 2.12 -0.01 0.00 -2.13 0.00 0.00 31.29 31.77 2jyn h VAL 24 CO 0.02 0.65 -0.06 -0.33 -1.23 0.00 0.00 177.57 176.61 2jyn h GLU 25 N 0.29 0.50 0.00 5.19 4.39 -1.19 -2.42 114.58 121.34 2jyn h GLU 25 Ca -0.04 -0.19 -0.11 0.00 0.34 0.00 0.00 59.36 59.36 2jyn h GLU 25 Cb 1.33 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.94 2jyn h GLU 25 CO 0.13 0.72 -0.54 0.37 -1.16 0.00 0.00 179.01 178.53 2jyn h GLN 26 N 0.25 0.00 -0.14 2.33 5.75 -1.27 -1.72 115.11 120.31 2jyn h GLN 26 Ca 0.07 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 2jyn h GLN 26 Cb 0.54 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.08 2jyn h GLN 26 CO 0.03 0.54 0.01 0.00 -2.65 0.00 0.00 178.83 176.75 2jyn h ALA 27 N 1.46 0.19 0.00 3.38 0.00 -1.19 -1.80 119.26 121.30 2jyn h ALA 27 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2jyn h ALA 27 Cb 1.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2jyn h ALA 27 CO 0.07 -0.13 0.00 1.05 0.00 0.00 0.00 179.25 180.24 2jyn h GLU 28 N -0.01 0.00 0.38 0.00 4.11 -1.40 -2.39 114.58 115.28 2jyn h GLU 28 Ca 0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.45 2jyn h GLU 28 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2jyn h GLU 28 CO 0.01 0.00 -0.18 1.15 0.07 0.00 0.00 179.01 180.05 2jyn h THR 29 N 0.00 0.48 -0.90 -1.06 2.02 -1.09 -1.78 112.91 110.58 2jyn h THR 29 Ca 0.00 -0.61 0.03 0.00 0.77 0.00 0.00 66.41 66.60 2jyn h THR 29 Cb 0.64 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.72 2jyn h THR 29 CO 0.00 0.09 0.59 1.88 0.37 0.00 0.00 175.52 178.45 2jyn h TYR 30 N -0.92 1.11 -0.11 3.16 0.05 -1.27 0.59 116.97 119.56 2jyn h TYR 30 Ca -0.05 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 2jyn h TYR 30 Cb 0.54 -0.37 -0.00 0.00 1.01 0.00 0.00 36.73 37.91 2jyn h TYR 30 CO 0.02 0.66 0.05 2.35 -1.05 0.00 0.00 178.16 180.19 2jyn h TRP 31 N 1.16 0.16 -0.03 4.88 2.91 -1.52 -2.76 115.95 120.75 2jyn h TRP 31 Ca 0.35 -0.01 -0.09 0.00 1.13 0.00 0.00 58.89 60.26 2jyn h TRP 31 Cb -0.04 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 28.55 2jyn h TRP 31 CO -0.00 0.24 -0.42 1.57 -1.03 0.00 0.00 178.44 178.79 2jyn h LYS 32 N 0.04 0.07 -0.68 2.65 5.09 -0.64 -2.30 116.57 120.80 2jyn h LYS 32 Ca 0.04 -0.03 -0.06 0.00 0.09 0.00 0.00 60.65 60.68 2jyn h LYS 32 Cb 0.14 -0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.44 2jyn h LYS 32 CO -0.00 0.48 0.17 -0.07 -2.09 0.00 0.00 179.45 177.94 2jyn h LEU 33 N 0.06 1.02 -0.22 7.07 3.38 -0.80 -0.33 115.31 125.48 2jyn h LEU 33 Ca 0.00 -0.23 -0.21 0.00 0.09 0.00 0.00 57.88 57.54 2jyn h LEU 33 Cb 0.77 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.26 2jyn h LEU 33 CO 0.06 0.98 -0.67 -0.07 0.09 0.00 0.00 178.44 178.83 2jyn h LEU 34 N 1.01 0.97 -1.00 1.67 3.38 -1.29 -0.97 115.31 119.08 2jyn h LEU 34 Ca 0.21 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2jyn h LEU 34 Cb 0.36 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2jyn h LEU 34 CO 0.00 1.38 0.00 0.71 0.09 0.00 0.00 178.44 180.63 2jyn h THR 35 N 0.61 0.00 0.00 0.22 1.35 -1.24 -3.30 112.91 110.55 2jyn h THR 35 Ca -0.02 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 2jyn h THR 35 Cb 1.29 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 2jyn h THR 35 CO 0.14 0.00 -0.29 0.28 -0.25 0.00 0.00 175.52 175.41 2jyn h SER 36 N 0.00 0.00 -3.96 5.36 0.02 -0.98 -3.48 113.55 110.51 2jyn h SER 36 Ca 0.00 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.27 2jyn h SER 36 Cb 0.49 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 62.81 2jyn h SER 36 CO 0.00 0.53 -0.87 0.68 -1.14 0.00 0.00 176.83 176.03 2jyn s VAL 37 N -1.81 2.21 -0.05 2.27 -7.23 -0.38 -5.06 120.40 110.36 2jyn s VAL 37 Ca -0.08 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.38 2jyn s VAL 37 Cb 0.01 -1.95 0.04 0.00 0.56 0.00 0.00 36.38 35.04 2jyn s VAL 37 CO 0.12 0.11 1.65 -0.81 -0.31 0.00 0.00 175.10 175.86 2jyn n PRO 38 N 1.00 1.13 -0.92 4.82 -0.04 -1.26 -3.98 135.00 135.75 2jyn n PRO 38 Ca -0.18 -0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.02 2jyn n PRO 38 Cb 0.53 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 2jyn n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jyn n GLY 39 N 0.95 0.30 0.27 0.55 0.00 -1.26 -4.88 105.19 101.12 2jyn n GLY 39 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 2jyn n GLY 39 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2jyn h SER 40 N 0.00 0.83 -0.01 1.61 0.87 -1.98 -3.05 113.55 111.82 2jyn h SER 40 Ca 0.00 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2jyn h SER 40 Cb 0.37 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2jyn h SER 40 CO 0.00 1.00 -0.32 2.29 -0.53 0.00 0.00 176.83 179.26 2jyn n LYS 41 N -4.13 1.70 -3.08 2.24 0.00 -1.26 -4.97 118.16 108.66 2jyn n LYS 41 Ca 0.01 -0.80 -0.40 0.00 -0.00 0.00 0.00 58.31 57.12 2jyn n LYS 41 Cb 0.41 -1.26 -0.05 0.00 -0.00 0.00 0.00 35.03 34.13 2jyn n LYS 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2jyn s LEU 42 N -2.00 4.15 0.09 -5.58 1.43 -1.15 -5.05 118.68 110.57 2jyn s LEU 42 Ca 0.13 0.90 -0.02 0.00 -1.03 0.00 0.00 54.13 54.11 2jyn s LEU 42 Cb 0.13 -2.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.36 2jyn s LEU 42 CO 0.39 -0.29 0.04 0.00 0.23 0.00 0.00 176.35 176.72 2jyn s ARG 43 N 1.92 0.76 -0.07 1.70 1.04 -1.26 -4.94 118.95 118.10 2jyn s ARG 43 Ca 0.31 -1.25 -0.00 0.00 -1.04 0.00 0.00 55.73 53.74 2jyn s ARG 43 Cb -0.16 0.25 -0.00 0.00 -2.04 0.00 0.00 34.95 33.00 2jyn s ARG 43 CO 0.11 -0.19 -0.01 -0.07 -0.04 0.00 0.00 175.30 175.10 2jyn h LEU 44 N 2.98 0.00 0.00 -1.89 -0.00 -1.98 -3.50 115.31 110.92 2jyn h LEU 44 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 2jyn h LEU 44 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 2jyn h LEU 44 CO 0.62 0.37 0.00 0.35 -0.00 0.00 0.00 178.44 179.78 2jyn n THR 45 N -4.00 0.00 0.85 0.22 -2.24 -1.26 -5.03 114.28 102.82 2jyn n THR 45 Ca -0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 2jyn n THR 45 Cb 0.01 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.29 2jyn n THR 45 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2jyn n LYS 46 N 0.00 1.68 -0.04 -0.78 4.81 -1.26 -4.25 118.16 118.32 2jyn n LYS 46 Ca 0.00 -1.39 0.08 0.00 -0.87 0.00 0.00 58.31 56.12 2jyn n LYS 46 Cb 0.00 -1.38 0.09 0.00 0.02 0.00 0.00 35.03 33.75 2jyn n LYS 46 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2jyn n PHE 47 N 0.66 0.09 0.18 5.64 3.72 -1.26 -4.68 117.46 121.82 2jyn n PHE 47 Ca 0.10 -0.07 0.04 0.00 -0.05 0.00 0.00 57.45 57.47 2jyn n PHE 47 Cb 0.47 -0.00 0.45 0.00 -0.94 0.00 0.00 39.48 39.46 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 2.97 0.10 -0.50 4.37 2.03 -1.96 -1.93 116.42 121.50 2jyn h ASP 48 Ca 0.00 -0.02 -0.08 0.00 -0.73 0.00 0.00 57.03 56.20 2jyn h ASP 48 Cb 0.66 -0.03 -0.02 0.00 -0.83 0.00 0.00 39.33 39.12 2jyn h ASP 48 CO 0.00 0.27 -0.02 -0.78 -1.03 0.00 0.00 179.24 177.68 2jyn h ASP 49 N 0.10 0.88 0.54 4.15 3.58 -1.89 -2.69 116.42 121.09 2jyn h ASP 49 Ca 0.02 -0.32 -0.16 0.00 0.42 0.00 0.00 57.03 57.00 2jyn h ASP 49 Cb 0.34 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 2jyn h ASP 49 CO 0.02 0.98 -0.71 1.05 -2.88 0.00 0.00 179.24 177.71 2jyn h GLU 50 N 0.76 0.14 -0.94 0.28 4.11 -1.78 -2.89 114.58 114.25 2jyn h GLU 50 Ca 0.14 -0.12 0.06 0.00 0.07 0.00 0.00 59.36 59.51 2jyn h GLU 50 Cb 0.54 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 2jyn h GLU 50 CO 0.03 0.78 0.61 0.82 0.07 0.00 0.00 179.01 181.33 2jyn h ILE 51 N 0.09 1.10 0.38 -1.06 2.04 -1.19 0.07 117.51 118.94 2jyn h ILE 51 Ca -0.02 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 2jyn h ILE 51 Cb 1.25 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2jyn h ILE 51 CO 0.10 0.20 -0.22 0.22 0.00 0.00 0.00 178.15 178.45 2jyn h TYR 52 N 1.11 -0.58 0.53 1.37 3.20 -1.37 -2.58 116.97 118.64 2jyn h TYR 52 Ca 0.40 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.23 2jyn h TYR 52 Cb 0.14 0.21 0.01 0.00 1.54 0.00 0.00 36.73 38.62 2jyn h TYR 52 CO -0.00 -0.35 -0.26 0.93 -1.64 0.00 0.00 178.16 176.84 2jyn h GLU 53 N -0.57 -0.69 -0.01 1.82 5.08 -1.13 -2.16 114.58 116.92 2jyn h GLU 53 Ca -0.04 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2jyn h GLU 53 Cb 0.47 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 2jyn h GLU 53 CO 0.05 -0.41 0.01 -0.91 -1.00 0.00 0.00 179.01 176.75 2jyn h ASN 54 N -0.85 0.00 -0.13 1.42 2.35 -1.15 -1.57 115.58 115.66 2jyn h ASN 54 Ca -0.07 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.63 2jyn h ASN 54 Cb 0.60 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 2jyn h ASN 54 CO 0.12 0.00 -0.10 0.15 -1.65 0.00 0.00 177.43 175.95 2jyn h PHE 55 N 0.00 0.35 0.00 1.19 3.57 -1.12 -1.71 116.94 119.23 2jyn h PHE 55 Ca 0.00 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.41 2jyn h PHE 55 Cb 0.02 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.69 2jyn h PHE 55 CO 0.00 0.68 0.00 0.00 -2.23 0.00 0.00 178.31 176.76 2jyn h MET 56 N -0.08 0.00 0.00 1.11 -0.00 -0.71 -0.21 114.93 115.04 2jyn h MET 56 Ca 0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.68 2jyn h MET 56 Cb 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.20 2jyn h MET 56 CO 0.03 0.00 -0.33 0.93 -0.00 0.00 0.00 176.91 177.54 2jyn h GLU 57 N 0.00 0.00 0.00 -0.10 5.08 -1.34 -3.20 114.58 115.02 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 0.64 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2jyn h GLU 57 CO 0.00 0.41 -0.64 0.00 -1.00 0.00 0.00 179.01 177.78 2jyn h ARG 58 N -1.00 0.00 -2.60 2.33 -0.00 -1.37 -3.34 114.38 108.41 2jyn h ARG 58 Ca -0.06 0.00 -0.60 0.00 -0.50 0.00 0.00 59.98 58.82 2jyn h ARG 58 Cb 0.58 0.00 -0.41 0.00 0.00 0.00 0.00 29.97 30.14 2jyn h ARG 58 CO -0.04 0.64 -0.71 1.19 0.00 0.00 0.00 179.97 181.06 2jyn n PHE 59 N -3.45 2.21 1.51 3.04 3.01 -0.09 -4.94 117.46 118.75 2jyn n PHE 59 Ca 0.00 -4.01 0.12 0.00 1.01 0.00 0.00 57.45 54.57 2jyn n PHE 59 Cb 0.72 -0.42 0.70 0.00 -0.01 0.00 0.00 39.48 40.47 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 1.76 0.76 0.23 -1.08 -0.04 -1.21 -2.73 135.00 132.68 2jyn n PRO 60 Ca 0.25 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.81 2jyn n PRO 60 Cb 0.41 -1.49 0.52 0.00 -0.04 0.00 0.00 33.50 32.90 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 -3.24 114.58 114.08 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 0.21 -0.48 2.48 0.07 0.00 0.00 179.01 181.29 2jyn n TYR 62 N -3.46 0.00 0.58 2.06 4.11 -1.11 -4.44 117.16 114.90 2jyn n TYR 62 Ca -0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.90 57.95 2jyn n TYR 62 Cb 0.39 -0.15 0.30 0.00 -0.00 0.00 0.00 39.34 39.89 2jyn n TYR 62 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 2jyn n LYS 63 N -1.06 0.19 -2.65 -3.48 2.85 -1.22 -3.86 118.16 108.93 2jyn n LYS 63 Ca 0.08 0.15 -0.37 0.00 -1.05 0.00 0.00 58.31 57.13 2jyn n LYS 63 Cb 0.35 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.18 2jyn n LYS 63 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2jyn s ASP 64 N -2.50 7.03 0.41 -5.58 1.01 -1.26 -4.98 116.67 110.80 2jyn s ASP 64 Ca 0.12 1.95 0.09 0.00 0.71 0.00 0.00 52.55 55.42 2jyn s ASP 64 Cb 0.08 -2.58 0.85 0.00 1.01 0.00 0.00 42.92 42.28 2jyn s ASP 64 CO 0.18 -0.29 1.98 0.58 0.21 0.00 0.00 175.17 177.83 2jyn h VAL 65 N 2.40 1.13 -0.77 -1.27 2.07 -1.99 -1.07 116.25 116.76 2jyn h VAL 65 Ca -0.48 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 2jyn h VAL 65 Cb 1.20 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 2jyn h VAL 65 CO 0.64 0.17 0.40 -0.33 0.02 0.00 0.00 177.57 178.47 2jyn h GLU 66 N 0.32 1.09 0.00 1.57 5.08 -1.91 -0.47 114.58 120.26 2jyn h GLU 66 Ca 0.08 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2jyn h GLU 66 Cb 0.20 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2jyn h GLU 66 CO 0.00 0.83 -0.29 0.00 -1.00 0.00 0.00 179.01 178.55 2jyn h ARG 67 N 1.08 0.00 0.24 2.33 2.47 -1.40 -2.18 114.38 116.91 2jyn h ARG 67 Ca 0.27 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 58.66 2jyn h ARG 67 Cb 0.08 0.00 0.04 0.00 -1.65 0.00 0.00 29.97 28.43 2jyn h ARG 67 CO -0.04 0.29 -1.45 0.28 0.56 0.00 0.00 179.97 179.61 2jyn h VAL 68 N 0.00 1.30 -0.05 2.04 2.07 -0.91 -3.37 116.25 117.34 2jyn h VAL 68 Ca -0.00 -2.72 -0.07 0.00 0.82 0.00 0.00 66.70 64.73 2jyn h VAL 68 Cb 0.93 3.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.72 2jyn h VAL 68 CO 0.04 0.81 -0.26 0.07 0.02 0.00 0.00 177.57 178.26 2jyn h LYS 69 N 0.15 0.25 -3.81 1.57 2.10 -1.07 -3.41 116.57 112.35 2jyn h LYS 69 Ca -0.24 -0.21 -0.17 0.00 -2.00 0.00 0.00 60.65 58.03 2jyn h LYS 69 Cb 2.14 0.05 -0.22 0.00 -0.90 0.00 0.00 32.23 33.30 2jyn h LYS 69 CO 0.27 0.87 -0.64 -1.59 -2.00 0.00 0.00 179.45 176.36 2jyn s LYS 70 N -3.56 0.33 0.28 0.07 0.00 -0.82 -0.31 119.74 115.72 2jyn s LYS 70 Ca -0.15 -0.48 0.11 0.00 0.00 0.00 0.00 55.97 55.44 2jyn s LYS 70 Cb 0.03 0.13 -0.05 0.00 0.00 0.00 0.00 37.83 37.93 2jyn s LYS 70 CO 0.75 -0.06 -0.17 -0.59 0.00 0.00 0.00 175.35 175.28 2jyn s PHE 71 N -1.29 2.18 0.02 1.78 -0.12 -1.12 -3.86 117.98 115.56 2jyn s PHE 71 Ca -0.14 -0.42 -0.25 0.00 -0.05 0.00 0.00 56.93 56.07 2jyn s PHE 71 Cb -0.08 -1.02 -0.05 0.00 -0.63 0.00 0.00 43.02 41.24 2jyn s PHE 71 CO -0.00 0.61 0.76 0.99 -0.05 0.00 0.00 175.22 177.53 2jyn s THR 72 N -2.64 4.81 0.11 -4.49 2.01 -1.26 -4.93 115.64 109.24 2jyn s THR 72 Ca 0.29 1.61 0.12 0.00 0.31 0.00 0.00 61.69 64.02 2jyn s THR 72 Cb -0.03 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 2jyn s THR 72 CO 0.13 0.33 1.49 1.05 -0.69 0.00 0.00 174.62 176.94 2jyn h GLU 73 N 5.97 0.00 -0.96 4.92 9.09 -2.00 -3.31 114.58 128.29 2jyn h GLU 73 Ca -0.43 0.00 0.04 0.00 0.05 0.00 0.00 59.36 59.02 2jyn h GLU 73 Cb 1.20 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.25 2jyn h GLU 73 CO 0.72 0.67 0.63 0.93 0.05 0.00 0.00 179.01 182.01 2jyn h GLU 74 N 0.00 1.15 -0.06 1.06 4.39 -1.99 -0.90 114.58 118.22 2jyn h GLU 74 Ca -0.01 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2jyn h GLU 74 Cb 1.34 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2jyn h GLU 74 CO 0.09 0.76 0.00 -0.85 -1.16 0.00 0.00 179.01 177.85 2jyn n GLU 75 N -4.45 1.27 -0.02 2.33 0.28 -1.25 -2.28 120.64 116.53 2jyn n GLU 75 Ca 0.13 -0.41 0.04 0.00 -0.16 0.00 0.00 57.16 56.76 2jyn n GLU 75 Cb 0.12 -1.32 -0.11 0.00 1.43 0.00 0.00 31.44 31.57 2jyn n GLU 75 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2jyn n LEU 76 N -0.36 0.00 0.02 -1.84 4.77 -0.42 -4.35 117.00 114.82 2jyn n LEU 76 Ca 0.14 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.22 2jyn n LEU 76 Cb 0.16 0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.20 2jyn n LEU 76 CO 0.11 0.07 -0.53 0.29 -1.33 0.00 0.00 177.39 176.00 2jyn n LYS 77 N -2.09 0.64 -1.52 3.23 5.02 -0.73 -4.66 118.16 118.06 2jyn n LYS 77 Ca -0.07 -0.08 -0.30 0.00 -2.02 0.00 0.00 58.31 55.85 2jyn n LYS 77 Cb 0.48 -1.62 0.19 0.00 -0.02 0.00 0.00 35.03 34.06 2jyn n LYS 77 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2jyn s THR 78 N -3.41 1.85 0.05 -0.18 -1.32 -0.96 -4.97 115.64 106.69 2jyn s THR 78 Ca -0.06 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.16 2jyn s THR 78 Cb 0.12 -2.75 -0.17 0.00 -1.51 0.00 0.00 72.50 68.20 2jyn s THR 78 CO 0.87 0.00 1.52 0.50 -2.21 0.00 0.00 174.62 175.30 2jyn h LYS 79 N -1.96 -0.26 0.00 7.08 3.64 -1.94 -3.05 116.57 120.09 2jyn h LYS 79 Ca -0.46 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2jyn h LYS 79 Cb 1.28 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.16 2jyn h LYS 79 CO 0.43 -0.05 -0.01 0.93 -2.27 0.00 0.00 179.45 178.48 2jyn h GLU 80 N -0.43 0.00 -0.29 1.90 5.08 -1.94 -2.14 114.58 116.76 2jyn h GLU 80 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2jyn h GLU 80 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2jyn h GLU 80 CO 0.04 0.01 0.09 0.00 -1.00 0.00 0.00 179.01 178.15 2jyn h ALA 81 N 1.99 0.38 -0.19 3.43 0.00 -1.73 0.73 119.26 123.87 2jyn h ALA 81 Ca -0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2jyn h ALA 81 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2jyn h ALA 81 CO 0.00 0.02 -0.09 0.87 0.00 0.00 0.00 179.25 180.06 2jyn h LYS 82 N 0.31 0.30 -0.10 0.00 1.79 -1.42 -0.23 116.57 117.22 2jyn h LYS 82 Ca 0.09 -0.06 -0.21 0.00 -2.18 0.00 0.00 60.65 58.29 2jyn h LYS 82 Cb 0.25 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 2jyn h LYS 82 CO -0.00 0.40 -0.79 0.93 -1.08 0.00 0.00 179.45 178.90 2jyn h GLU 83 N 0.28 0.58 0.34 3.15 5.08 -1.53 -2.62 114.58 119.87 2jyn h GLU 83 Ca 0.06 -0.50 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 2jyn h GLU 83 Cb 0.34 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2jyn h GLU 83 CO 0.02 1.12 -0.18 0.00 -1.00 0.00 0.00 179.01 178.97 2jyn h ARG 84 N 0.39 -0.47 -0.80 2.33 3.08 0.67 -0.19 114.38 119.38 2jyn h ARG 84 Ca -0.05 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.08 2jyn h ARG 84 Cb 1.40 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 31.51 2jyn h ARG 84 CO 0.15 -0.31 0.53 -1.49 -1.07 0.00 0.00 179.97 177.77 2jyn h TRP 85 N -0.49 0.92 0.02 3.04 4.06 -1.20 -0.44 115.95 121.86 2jyn h TRP 85 Ca -0.04 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.93 2jyn h TRP 85 Cb 0.39 -0.31 0.00 0.00 -1.00 0.00 0.00 29.16 28.24 2jyn h TRP 85 CO -0.07 0.51 -0.01 -0.09 -3.56 0.00 0.00 178.44 175.22 2jyn h ARG 86 N 0.93 -0.02 -0.08 0.49 2.43 -1.22 -0.84 114.38 116.07 2jyn h ARG 86 Ca 0.33 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.49 2jyn h ARG 86 Cb 0.14 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2jyn h ARG 86 CO -0.11 0.30 -0.05 0.87 -1.51 0.00 0.00 179.97 179.47 2jyn h LYS 87 N -0.35 0.11 0.20 0.20 6.56 -0.56 -0.66 116.57 122.07 2jyn h LYS 87 Ca -0.00 -0.01 -0.31 0.00 -1.06 0.00 0.00 60.65 59.26 2jyn h LYS 87 Cb 0.33 -0.02 0.02 0.00 -0.57 0.00 0.00 32.23 32.00 2jyn h LYS 87 CO 0.00 0.17 -1.38 0.35 -2.06 0.00 0.00 179.45 176.53 2jyn h PHE 88 N 0.11 0.78 -0.35 -1.35 3.57 -1.08 -3.30 116.94 115.33 2jyn h PHE 88 Ca 0.03 -0.57 -0.01 0.00 3.53 0.00 0.00 57.97 60.94 2jyn h PHE 88 Cb 0.17 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2jyn h PHE 88 CO 0.00 1.45 0.17 0.35 -2.23 0.00 0.00 178.31 178.05 2jyn h PHE 89 N 0.12 0.50 0.00 0.41 3.57 -0.65 -3.08 116.94 117.81 2jyn h PHE 89 Ca -0.21 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.27 2jyn h PHE 89 Cb 2.09 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.67 2jyn h PHE 89 CO 0.10 0.42 0.00 1.79 -2.23 0.00 0.00 178.31 178.39 2jyn h THR 90 N 0.43 0.00 0.02 4.41 1.35 -1.21 0.39 112.91 118.30 2jyn h THR 90 Ca 0.12 -0.05 -0.00 0.00 -0.55 0.00 0.00 66.41 65.93 2jyn h THR 90 Cb 0.10 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 67.19 2jyn h THR 90 CO -0.02 0.00 -0.01 0.40 -0.25 0.00 0.00 175.52 175.65 2jyn h ILE 91 N 0.00 1.47 -0.66 6.82 2.04 -1.63 -3.38 117.51 122.17 2jyn h ILE 91 Ca 0.00 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.31 2jyn h ILE 91 Cb 0.07 2.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 2jyn h ILE 91 CO 0.00 0.39 0.00 0.49 0.00 0.00 0.00 178.15 179.03 2jyn n PHE 92 N -4.78 0.88 0.29 1.37 3.72 0.48 -4.18 117.46 115.24 2jyn n PHE 92 Ca -0.09 -0.46 0.14 0.00 -0.05 0.00 0.00 57.45 56.99 2jyn n PHE 92 Cb 0.33 -0.00 0.85 0.00 -0.94 0.00 0.00 39.48 39.72 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 4.20 0.00 0.00 -1.08 4.11 -0.57 0.28 114.58 121.53 2jyn h GLU 93 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.30 2jyn h GLU 93 Cb 0.98 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 2jyn h GLU 93 CO 0.00 0.01 -0.69 0.87 0.07 0.00 0.00 179.01 179.28 2jyn h LYS 94 N 0.00 0.00 0.00 1.06 1.79 -1.86 -3.43 116.57 114.14 2jyn h LYS 94 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2jyn h LYS 94 Cb 0.03 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.68 2jyn h LYS 94 CO 0.00 0.60 -0.44 0.36 -1.08 0.00 0.00 179.45 178.89 2jyn n LYS 95 N -3.23 0.03 -2.90 3.15 0.00 -0.91 -4.94 118.16 109.36 2jyn n LYS 95 Ca 0.01 0.01 -0.43 0.00 -0.00 0.00 0.00 58.31 57.89 2jyn n LYS 95 Cb 0.79 -0.55 -0.04 0.00 -0.00 0.00 0.00 35.03 35.23 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 -2.04 4.45 0.10 0.58 -1.09 0.94 -4.87 121.20 119.27 2jyn s ILE 96 Ca -0.02 -0.64 -0.09 0.00 -2.23 0.00 0.00 60.65 57.68 2jyn s ILE 96 Cb 0.00 -4.67 -0.22 0.00 -1.58 0.00 0.00 42.46 35.99 2jyn s ILE 96 CO 0.02 -1.42 1.23 -0.33 -1.23 0.00 0.00 174.94 173.21 2jyn h GLU 97 N 9.40 0.52 -1.46 2.79 5.08 -1.83 -3.36 114.58 125.72 2jyn h GLU 97 Ca -0.22 -0.59 -0.19 0.00 -1.00 0.00 0.00 59.36 57.35 2jyn h GLU 97 Cb 1.07 0.18 -0.09 0.00 0.50 0.00 0.00 28.75 30.40 2jyn h GLU 97 CO 1.16 1.22 0.25 -0.40 -1.00 0.00 0.00 179.01 180.24 2jyn n ASP 98 N -3.77 5.15 -0.12 1.42 5.68 -1.26 -4.48 116.55 119.17 2jyn n ASP 98 Ca -0.09 -2.73 0.01 0.00 -0.50 0.00 0.00 54.79 51.48 2jyn n ASP 98 Cb 0.89 -0.93 0.29 0.00 -1.14 0.00 0.00 41.12 40.23 2jyn n ASP 98 CO 0.00 0.00 0.00 0.10 -1.33 0.00 0.00 177.20 175.97 2jyn h TYR 99 N 0.98 0.77 -0.74 2.11 -0.00 -1.95 -2.64 116.97 115.50 2jyn h TYR 99 Ca 0.19 -0.01 -0.38 0.00 -0.00 0.00 0.00 58.73 58.53 2jyn h TYR 99 Cb 1.15 -0.25 -0.23 0.00 -0.00 0.00 0.00 36.73 37.40 2jyn h TYR 99 CO 0.57 0.53 0.36 -1.71 -0.00 0.00 0.00 178.16 177.92 2jyn n ASN 100 N -4.40 3.28 0.13 0.10 5.15 -1.26 -0.30 115.26 117.96 2jyn n ASN 100 Ca 0.05 -3.67 0.01 0.00 -0.60 0.00 0.00 54.58 50.37 2jyn n ASN 100 Cb 0.09 -0.76 0.31 0.00 -0.53 0.00 0.00 39.78 38.89 2jyn n ASN 100 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 2jyn h PHE 101 N 1.04 0.16 -1.40 1.20 3.57 -1.82 -3.46 116.94 116.23 2jyn h PHE 101 Ca 0.47 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.94 2jyn h PHE 101 Cb 2.40 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 41.10 2jyn h PHE 101 CO 1.38 0.48 0.00 0.41 -2.23 0.00 0.00 178.31 178.35 2jyn n GLY 102 N -0.42 -2.63 2.96 2.40 0.00 -1.26 -4.89 105.19 101.35 2jyn n GLY 102 Ca -0.01 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 0.11 -0.43 2.61 2.01 -0.41 -4.66 115.64 114.87 2jyn s THR 103 Ca 0.00 -0.67 -0.28 0.00 0.31 0.00 0.00 61.69 61.05 2jyn s THR 103 Cb 0.00 -0.22 -0.00 0.00 0.01 0.00 0.00 72.50 72.29 2jyn s THR 103 CO 0.00 -0.35 1.62 -0.76 -0.69 0.00 0.00 174.62 174.44 2jyn s LEU 104 N -1.06 3.49 -0.22 4.42 1.43 -1.26 -2.16 118.68 123.32 2jyn s LEU 104 Ca -0.11 0.86 -0.11 0.00 -1.03 0.00 0.00 54.13 53.74 2jyn s LEU 104 Cb -0.07 -3.32 -0.05 0.00 0.03 0.00 0.00 46.19 42.78 2jyn s LEU 104 CO -0.01 -1.70 0.18 -0.22 0.23 0.00 0.00 176.35 174.82 2jyn s LEU 105 N 6.56 4.14 0.16 1.79 2.96 -0.89 -4.84 118.68 128.56 2jyn s LEU 105 Ca 0.68 0.18 -0.32 0.00 -0.22 0.00 0.00 54.13 54.45 2jyn s LEU 105 Cb -0.16 -2.14 -0.10 0.00 0.50 0.00 0.00 46.19 44.29 2jyn s LEU 105 CO 0.30 0.08 1.55 0.00 -1.32 0.00 0.00 176.35 176.96 2jyn s ARG 106 N 0.89 4.23 0.45 1.98 1.70 -1.26 -1.23 118.95 125.71 2jyn s ARG 106 Ca 0.09 2.33 0.21 0.00 -0.47 0.00 0.00 55.73 57.89 2jyn s ARG 106 Cb -0.13 -3.16 1.05 0.00 -0.57 0.00 0.00 34.95 32.14 2jyn s ARG 106 CO 0.03 -0.59 1.92 1.79 -1.08 0.00 0.00 175.30 177.37 2jyn h THR 107 N 4.04 0.81 -3.97 4.99 1.35 -1.44 -3.44 112.91 115.25 2jyn h THR 107 Ca -0.43 -0.96 -0.23 0.00 -0.55 0.00 0.00 66.41 64.24 2jyn h THR 107 Cb 1.20 1.58 -0.21 0.00 -1.73 0.00 0.00 68.15 69.00 2jyn h THR 107 CO 0.91 0.24 -0.72 -0.62 -0.25 0.00 0.00 175.52 175.08 2jyn s ASP 108 N -6.44 0.60 0.07 5.36 2.15 -1.26 -2.81 116.67 114.35 2jyn s ASP 108 Ca -0.02 -0.54 -0.19 0.00 0.43 0.00 0.00 52.55 52.23 2jyn s ASP 108 Cb 0.13 0.07 -0.10 0.00 -0.30 0.00 0.00 42.92 42.72 2jyn s ASP 108 CO 0.65 -0.25 1.50 0.00 -0.17 0.00 0.00 175.17 176.89 2jyn h ALA 109 N 4.53 0.30 -0.01 3.66 0.00 -0.96 -3.09 119.26 123.69 2jyn h ALA 109 Ca -0.34 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2jyn h ALA 109 Cb 1.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2jyn h ALA 109 CO 0.41 0.03 -0.01 0.43 0.00 0.00 0.00 179.25 180.12 2jyn n SER 110 N -4.65 0.78 -4.89 0.00 7.64 -1.26 -4.83 113.62 106.41 2jyn n SER 110 Ca -0.04 -1.23 -0.30 0.00 1.01 0.00 0.00 58.87 58.31 2jyn n SER 110 Cb 0.25 -0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.40 2jyn n SER 110 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jyn s ALA 111 N -2.03 3.57 0.41 -0.43 0.00 -1.17 -5.12 121.76 116.99 2jyn s ALA 111 Ca 0.42 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2jyn s ALA 111 Cb 0.21 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.93 2jyn s ALA 111 CO 0.36 0.33 0.00 -0.85 0.00 0.00 0.00 175.76 175.59 2jyn n GLU 112 N -0.64 0.69 -2.92 0.00 -0.00 -1.26 -4.87 120.64 111.63 2jyn n GLU 112 Ca -0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.16 56.72 2jyn n GLU 112 Cb 0.53 0.00 -0.00 0.00 -0.00 0.00 0.00 31.44 31.97 2jyn n GLU 112 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.13 178.65 2jyn s TYR 113 N 0.25 3.43 0.31 -1.84 1.13 -1.26 -4.46 117.35 114.90 2jyn s TYR 113 Ca 0.00 -2.05 0.05 0.00 -1.41 0.00 0.00 57.07 53.65 2jyn s TYR 113 Cb 0.00 -4.34 -0.06 0.00 -1.10 0.00 0.00 41.96 36.46 2jyn s TYR 113 CO 0.00 -1.43 0.02 0.20 -2.51 0.00 0.00 175.55 171.83 2jyn s GLY 114 N 2.98 1.97 0.50 5.49 0.00 -1.26 -4.99 107.32 112.01 2jyn s GLY 114 Ca 0.43 -2.00 0.25 0.00 0.00 0.00 0.00 44.72 43.40 2jyn s GLY 114 CO -0.00 -1.82 2.04 1.46 0.00 0.00 0.00 173.10 174.78 2jyn h GLN 115 N 2.18 0.00 0.00 2.90 4.20 -1.93 0.14 115.11 122.60 2jyn h GLN 115 Ca -0.40 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.07 2jyn h GLN 115 Cb 1.24 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.98 2jyn h GLN 115 CO 0.69 0.14 -2.18 1.19 -0.67 0.00 0.00 178.83 178.00 2jyn n PHE 116 N -3.70 0.09 1.29 2.96 3.72 -1.26 -4.44 117.46 116.12 2jyn n PHE 116 Ca -0.02 0.03 0.13 0.00 -0.05 0.00 0.00 57.45 57.54 2jyn n PHE 116 Cb 0.26 -0.84 0.35 0.00 -0.94 0.00 0.00 39.48 38.30 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 -2.60 0.00 -4.06 4.37 -2.24 -0.83 -4.82 114.28 104.10 2jyn n THR 117 Ca -0.22 -0.34 -0.12 0.00 -2.27 0.00 0.00 64.05 61.11 2jyn n THR 117 Cb 0.94 0.88 -0.11 0.00 -2.10 0.00 0.00 70.33 69.94 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 -2.04 0.48 -0.02 4.28 -4.23 0.44 -1.13 115.64 113.42 2jyn s THR 118 Ca 0.33 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 2jyn s THR 118 Cb 0.20 -0.68 0.02 0.00 1.34 0.00 0.00 72.50 73.38 2jyn s THR 118 CO 0.34 -0.46 0.00 0.00 -0.54 0.00 0.00 174.62 173.96 2jyn s PHE 120 N 0.61 1.92 0.42 0.00 0.40 -1.26 -2.10 117.98 117.97 2jyn s PHE 120 Ca -0.06 0.66 0.01 0.00 -0.60 0.00 0.00 56.93 56.95 2jyn s PHE 120 Cb -0.08 -4.18 -0.00 0.00 0.51 0.00 0.00 43.02 39.27 2jyn s PHE 120 CO -0.01 -2.52 0.03 1.33 0.70 0.00 0.00 175.22 174.75 2jyn n VAL 121 N 7.25 0.00 -2.07 -0.44 0.24 -0.92 -5.00 118.33 117.40 2jyn n VAL 121 Ca 0.20 -2.09 -0.32 0.00 -2.04 0.00 0.00 64.34 60.09 2jyn n VAL 121 Cb 0.49 0.49 -0.00 0.00 -1.47 0.00 0.00 33.84 33.35 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 -2.66 4.29 0.33 3.34 -7.23 -1.26 -1.29 120.40 115.91 2jyn s VAL 122 Ca 0.04 0.97 0.28 0.00 -1.81 0.00 0.00 61.98 61.46 2jyn s VAL 122 Cb 0.00 -3.61 0.30 0.00 0.56 0.00 0.00 36.38 33.64 2jyn s VAL 122 CO 0.03 -0.75 2.03 -0.09 -0.31 0.00 0.00 175.10 176.00 2jyn h ARG 123 N 0.30 0.00 -0.36 4.82 2.43 -0.90 -2.29 114.38 118.38 2jyn h ARG 123 Ca -0.46 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.66 2jyn h ARG 123 Cb 1.20 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 2jyn h ARG 123 CO 0.60 0.13 0.03 1.25 -1.51 0.00 0.00 179.97 180.47 2jyn h LEU 124 N 0.00 0.60 -0.71 3.80 7.12 -1.58 -1.37 115.31 123.16 2jyn h LEU 124 Ca -0.00 -0.28 -0.08 0.00 0.13 0.00 0.00 57.88 57.65 2jyn h LEU 124 Cb 0.43 -0.16 -0.03 0.00 -0.53 0.00 0.00 40.66 40.37 2jyn h LEU 124 CO 0.02 0.73 0.11 1.56 -0.13 0.00 0.00 178.44 180.73 2jyn h GLN 125 N 0.44 1.10 -0.20 1.25 1.08 -1.71 -1.80 115.11 115.28 2jyn h GLN 125 Ca 0.11 -0.29 0.04 0.00 -1.45 0.00 0.00 58.65 57.06 2jyn h GLN 125 Cb 0.40 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.66 2jyn h GLN 125 CO 0.01 1.00 -0.08 0.35 -0.95 0.00 0.00 178.83 179.16 2jyn h PHE 126 N 1.03 -0.19 0.10 2.96 3.57 -1.30 -2.95 116.94 120.17 2jyn h PHE 126 Ca 0.20 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2jyn h PHE 126 Cb 0.43 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 2jyn h PHE 126 CO 0.03 -0.13 -0.26 1.88 -2.23 0.00 0.00 178.31 177.61 2jyn h TYR 127 N -0.05 -0.73 -0.74 0.41 0.05 -1.01 -2.62 116.97 112.27 2jyn h TYR 127 Ca 0.10 0.02 0.07 0.00 0.05 0.00 0.00 58.73 58.97 2jyn h TYR 127 Cb 0.21 0.31 -0.10 0.00 1.01 0.00 0.00 36.73 38.15 2jyn h TYR 127 CO -0.24 -0.30 -0.54 0.00 -1.05 0.00 0.00 178.16 176.03 2jyn h ALA 128 N -1.13 -0.59 -0.22 3.88 0.00 -1.21 -0.12 119.26 119.86 2jyn h ALA 128 Ca -0.01 0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 2jyn h ALA 128 Cb 0.38 1.27 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2jyn h ALA 128 CO -0.11 -0.93 -0.61 0.74 0.00 0.00 0.00 179.25 178.33 2jyn h PHE 129 N -0.13 0.98 -0.15 0.00 0.04 -1.62 -2.97 116.94 113.09 2jyn h PHE 129 Ca 0.12 -0.37 -0.13 0.00 2.80 0.00 0.00 57.97 60.39 2jyn h PHE 129 Cb 0.44 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.42 2jyn h PHE 129 CO -0.92 1.18 -0.40 1.49 -0.60 0.00 0.00 178.31 179.05 2jyn h GLU 130 N 0.57 0.54 -0.41 1.51 4.57 -0.97 -2.87 114.58 117.52 2jyn h GLU 130 Ca -0.00 -0.38 0.05 0.00 -1.18 0.00 0.00 59.36 57.85 2jyn h GLU 130 Cb 1.21 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.81 2jyn h GLU 130 CO 0.13 1.00 0.15 0.82 -1.18 0.00 0.00 179.01 179.92 2jyn h ILE 131 N 0.17 0.88 -0.17 2.32 2.04 -1.14 0.19 117.51 121.80 2jyn h ILE 131 Ca -0.01 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.80 2jyn h ILE 131 Cb 1.02 0.54 -0.07 0.00 -0.74 0.00 0.00 36.82 37.57 2jyn h ILE 131 CO 0.09 0.06 -0.37 0.00 0.00 0.00 0.00 178.15 177.93 2jyn h ALA 132 N 1.27 -0.45 0.00 1.87 0.00 -1.42 -1.44 119.26 119.09 2jyn h ALA 132 Ca 0.19 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2jyn h ALA 132 Cb 0.17 0.71 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2jyn h ALA 132 CO -0.19 -0.85 0.00 0.07 0.00 0.00 0.00 179.25 178.28 2jyn h ARG 133 N -0.42 0.00 -0.00 0.00 0.11 -1.40 -2.27 114.38 110.41 2jyn h ARG 133 Ca 0.10 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.18 2jyn h ARG 133 Cb 0.58 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.66 2jyn h ARG 133 CO -0.40 0.00 -0.00 -0.97 0.10 0.00 0.00 179.97 178.70 2jyn h ASN 134 N 0.00 0.01 0.85 0.08 -1.24 -0.39 0.84 115.58 115.73 2jyn h ASN 134 Ca 0.00 -0.51 -0.20 0.00 0.71 0.00 0.00 56.30 56.30 2jyn h ASN 134 Cb 0.88 -0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.91 2jyn h ASN 134 CO 0.00 0.52 -0.94 0.07 -1.29 0.00 0.00 177.43 175.79 2jyn h LYS 135 N -0.51 0.05 0.00 6.67 2.10 -1.34 -3.10 116.57 120.45 2jyn h LYS 135 Ca 0.00 -0.07 -0.04 0.00 -2.00 0.00 0.00 60.65 58.53 2jyn h LYS 135 Cb 0.52 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.86 2jyn h LYS 135 CO 0.00 0.95 -0.21 0.45 -2.00 0.00 0.00 179.45 178.64 2jyn h HIS 136 N 0.02 0.00 -2.42 0.07 3.86 -1.50 -3.49 115.15 111.69 2jyn h HIS 136 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2jyn h HIS 136 Cb 1.64 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.11 2jyn h HIS 136 CO 0.01 0.21 0.00 0.41 0.86 0.00 0.00 177.93 179.42 2jyn n GLY 137 N 0.50 0.07 0.00 2.45 0.00 -0.59 -5.05 105.19 102.58 2jyn n GLY 137 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.87 0.00 -1.40 0.99 4.32 0.19 -4.76 117.00 115.47 2jyn n LEU 138 Ca 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 56.01 56.07 2jyn n LEU 138 Cb 0.40 0.00 0.33 0.00 -1.62 0.00 0.00 43.42 42.54 2jyn n LEU 138 CO 0.00 0.00 0.79 -0.46 -1.22 0.00 0.00 177.39 176.50 2jyn n ASN 139 N -1.19 4.81 0.23 -1.43 0.23 -1.25 -4.53 115.26 112.12 2jyn n ASN 139 Ca 0.00 -2.94 0.10 0.00 -0.53 0.00 0.00 54.58 51.21 2jyn n ASN 139 Cb 0.05 -0.61 0.51 0.00 -2.08 0.00 0.00 39.78 37.65 2jyn n ASN 139 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2jyn h ASP 140 N 2.95 0.00 -0.04 0.53 3.32 -1.90 -3.11 116.42 118.18 2jyn h ASP 140 Ca 0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 2jyn h ASP 140 Cb 1.70 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.24 2jyn h ASP 140 CO 0.35 0.22 0.07 4.11 -1.72 0.00 0.00 179.24 182.27 2jyn h TRP 141 N 0.00 0.00 -0.08 4.55 5.08 -1.97 -1.83 115.95 121.70 2jyn h TRP 141 Ca -0.00 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.86 2jyn h TRP 141 Cb 0.67 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.82 2jyn h TRP 141 CO 0.00 0.00 -0.42 0.82 -1.28 0.00 0.00 178.44 177.56 2jyn h ILE 142 N 0.00 1.31 0.00 0.12 2.04 -1.91 -2.07 117.51 116.99 2jyn h ILE 142 Ca 0.02 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.36 2jyn h ILE 142 Cb 0.15 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 2jyn h ILE 142 CO -0.00 0.45 0.00 -0.37 0.00 0.00 0.00 178.15 178.23 2jyn h VAL 143 N 0.15 0.00 -0.01 1.67 -1.51 -1.44 -2.18 116.25 112.92 2jyn h VAL 143 Ca 0.01 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 2jyn h VAL 143 Cb 0.81 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 2jyn h VAL 143 CO 0.06 0.00 -0.25 0.61 -1.23 0.00 0.00 177.57 176.76 2jyn n GLY 144 N -0.26 -0.30 3.69 5.19 0.00 -0.79 -4.82 105.19 107.90 2jyn n GLY 144 Ca -0.00 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 2jyn n GLY 144 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jyn s GLN 145 N -2.40 4.27 0.00 1.61 -1.52 -0.82 -5.13 119.66 115.68 2jyn s GLN 145 Ca 0.25 2.00 0.08 0.00 -1.95 0.00 0.00 55.36 55.74 2jyn s GLN 145 Cb 0.19 -3.57 0.47 0.00 -0.22 0.00 0.00 33.01 29.88 2jyn s GLN 145 CO 0.49 -0.59 0.92 0.36 -0.25 0.00 0.00 175.29 176.22