#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 2.81 -1.32 7.83 0.01 -1.26 -5.06 113.70 116.71 2jyn s SER 2 Ca 0.00 -0.60 -0.13 0.00 1.31 0.00 0.00 55.95 56.53 2jyn s SER 2 Cb 0.00 -1.05 0.12 0.00 0.21 0.00 0.00 66.02 65.30 2jyn s SER 2 CO 0.00 -0.13 1.85 0.35 0.41 0.00 0.00 173.24 175.72 2jyn n THR 3 N 4.81 4.02 -3.16 1.44 -2.24 -1.26 -4.78 114.28 113.12 2jyn n THR 3 Ca -0.14 -4.05 0.04 0.00 -2.27 0.00 0.00 64.05 57.62 2jyn n THR 3 Cb 0.48 -2.45 -0.01 0.00 -2.10 0.00 0.00 70.33 66.26 2jyn n THR 3 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2jyn s PHE 4 N 2.11 -1.67 -0.13 4.78 5.36 -1.26 -5.17 117.98 122.00 2jyn s PHE 4 Ca 0.45 1.49 -0.21 0.00 -0.96 0.00 0.00 56.93 57.70 2jyn s PHE 4 Cb 0.07 0.47 0.05 0.00 -0.34 0.00 0.00 43.02 43.27 2jyn s PHE 4 CO -0.01 -0.94 0.52 1.21 -1.46 0.00 0.00 175.22 174.54 2jyn s ASN 5 N 2.84 -0.51 -0.22 6.13 3.84 -1.26 -4.88 114.94 120.89 2jyn s ASN 5 Ca 0.17 0.79 -0.16 0.00 0.21 0.00 0.00 52.86 53.88 2jyn s ASN 5 Cb -0.13 0.81 0.06 0.00 -0.55 0.00 0.00 41.25 41.43 2jyn s ASN 5 CO -0.23 -0.34 0.55 0.00 -2.79 0.00 0.00 177.10 174.29 2jyn s ALA 6 N -0.40 -1.41 -0.43 1.71 0.00 -1.26 -5.12 121.76 114.85 2jyn s ALA 6 Ca -0.05 1.78 -0.28 0.00 0.00 0.00 0.00 51.96 53.40 2jyn s ALA 6 Cb -0.03 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.03 2jyn s ALA 6 CO 0.04 -0.29 1.63 -2.00 0.00 0.00 0.00 175.76 175.13 2jyn s GLU 7 N 0.94 3.30 0.15 0.00 2.12 -1.26 -4.88 118.70 119.06 2jyn s GLU 7 Ca -0.05 1.01 0.02 0.00 0.36 0.00 0.00 54.97 56.31 2jyn s GLU 7 Cb -0.05 -4.16 -0.04 0.00 0.26 0.00 0.00 34.13 30.13 2jyn s GLU 7 CO -0.08 -1.91 -0.04 0.99 -0.54 0.00 0.00 175.26 173.68 2jyn s THR 8 N 6.65 0.77 -0.16 -1.70 2.01 -1.26 -5.16 115.64 116.80 2jyn s THR 8 Ca 0.68 -1.98 -0.04 0.00 0.31 0.00 0.00 61.69 60.66 2jyn s THR 8 Cb -0.16 -1.94 0.06 0.00 0.01 0.00 0.00 72.50 70.48 2jyn s THR 8 CO 0.30 -0.65 0.13 0.00 -0.69 0.00 0.00 174.62 173.71 2jyn s ALA 9 N -3.59 0.18 0.00 7.40 0.00 -1.26 -4.82 121.76 119.68 2jyn s ALA 9 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.10 2jyn s ALA 9 Cb 0.05 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 22.12 2jyn s ALA 9 CO 0.01 -1.07 0.00 -3.47 0.00 0.00 0.00 175.76 171.22 2jyn n ASP 10 N 5.30 0.00 -4.79 0.00 2.03 -1.26 -5.11 116.55 112.71 2jyn n ASP 10 Ca -0.06 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.03 2jyn n ASP 10 Cb 0.49 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.84 2jyn n ASP 10 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2jyn s ASN 11 N 1.13 4.85 0.52 1.67 0.02 -1.26 -5.02 114.94 116.86 2jyn s ASN 11 Ca 0.00 -0.76 0.24 0.00 -1.02 0.00 0.00 52.86 51.32 2jyn s ASN 11 Cb 0.00 -0.71 1.42 0.00 0.02 0.00 0.00 41.25 41.98 2jyn s ASN 11 CO 0.00 -0.43 2.11 -0.07 0.02 0.00 0.00 177.10 178.73 2jyn h LEU 12 N 1.35 0.00 -0.68 0.60 3.38 -2.01 -1.06 115.31 116.89 2jyn h LEU 12 Ca -0.43 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.48 2jyn h LEU 12 Cb 1.26 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 2jyn h LEU 12 CO 0.62 0.09 0.21 1.05 0.09 0.00 0.00 178.44 180.51 2jyn h GLU 13 N 0.00 1.05 -0.04 1.13 4.11 -1.98 -1.02 114.58 117.84 2jyn h GLU 13 Ca -0.00 -0.23 -0.19 0.00 0.07 0.00 0.00 59.36 59.01 2jyn h GLU 13 Cb 0.21 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2jyn h GLU 13 CO 0.01 0.91 -0.79 0.22 0.07 0.00 0.00 179.01 179.43 2jyn h ASP 14 N 0.99 0.37 0.03 3.06 3.58 -1.64 -0.86 116.42 121.96 2jyn h ASP 14 Ca 0.22 -0.27 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 2jyn h ASP 14 Cb 0.30 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2jyn h ASP 14 CO -0.01 1.02 -0.01 0.40 -2.88 0.00 0.00 179.24 177.76 2jyn h ILE 15 N 0.19 1.13 0.00 2.25 1.08 -1.23 -2.83 117.51 118.09 2jyn h ILE 15 Ca -0.04 -0.49 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 2jyn h ILE 15 Cb 1.38 1.46 0.00 0.00 -3.07 0.00 0.00 36.82 36.59 2jyn h ILE 15 CO 0.13 0.13 0.00 -0.33 -0.69 0.00 0.00 178.15 177.38 2jyn h GLU 16 N -0.25 0.00 0.77 2.37 5.08 -1.18 -1.49 114.58 119.87 2jyn h GLU 16 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2jyn h GLU 16 Cb 0.24 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.49 2jyn h GLU 16 CO 0.01 0.00 -0.37 -0.22 -1.00 0.00 0.00 179.01 177.43 2jyn h LYS 17 N 0.00 -0.99 -0.19 2.33 3.64 -1.02 -1.47 116.57 118.86 2jyn h LYS 17 Ca 0.00 0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 2jyn h LYS 17 Cb 0.60 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 2jyn h LYS 17 CO 0.00 -0.66 -0.34 -0.56 -2.27 0.00 0.00 179.45 175.62 2jyn h GLN 18 N -1.23 0.39 -0.08 1.90 3.07 -1.48 -2.80 115.11 114.89 2jyn h GLN 18 Ca -0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 58.65 58.46 2jyn h GLN 18 Cb 0.79 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 28.34 2jyn h GLN 18 CO 0.17 0.68 0.02 0.35 0.09 0.00 0.00 178.83 180.14 2jyn h PHE 19 N 0.33 0.13 -0.19 0.06 3.57 -1.34 -1.68 116.94 117.82 2jyn h PHE 19 Ca 0.04 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2jyn h PHE 19 Cb 0.76 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 2jyn h PHE 19 CO 0.02 0.32 0.05 0.00 -2.23 0.00 0.00 178.31 176.46 2jyn h ALA 20 N 0.80 0.25 0.26 2.41 0.00 -1.22 -2.29 119.26 119.47 2jyn h ALA 20 Ca 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2jyn h ALA 20 Cb 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jyn h ALA 20 CO 0.00 -0.10 -0.12 -0.24 0.00 0.00 0.00 179.25 178.79 2jyn h VAL 21 N 0.13 0.79 -0.31 0.00 3.04 -1.54 -2.88 116.25 115.47 2jyn h VAL 21 Ca 0.06 -0.44 -0.04 0.00 -1.01 0.00 0.00 66.70 65.27 2jyn h VAL 21 Cb 0.27 1.04 -0.02 0.00 -2.01 0.00 0.00 31.29 30.57 2jyn h VAL 21 CO 0.00 0.09 0.04 1.62 -1.01 0.00 0.00 177.57 178.31 2jyn h VAL 22 N -0.58 1.17 0.29 1.51 3.04 -1.34 -1.46 116.25 118.89 2jyn h VAL 22 Ca -0.04 -0.63 -0.01 0.00 -1.01 0.00 0.00 66.70 65.01 2jyn h VAL 22 Cb 0.42 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 2jyn h VAL 22 CO 0.06 0.22 -0.14 0.00 -1.01 0.00 0.00 177.57 176.70 2jyn h ALA 23 N 1.59 -0.39 0.00 3.17 0.00 -1.41 -2.65 119.26 119.56 2jyn h ALA 23 Ca 0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2jyn h ALA 23 Cb 0.24 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2jyn h ALA 23 CO 0.00 -0.64 -0.19 -0.39 0.00 0.00 0.00 179.25 178.03 2jyn h VAL 24 N -0.54 0.50 0.01 0.00 -1.51 -1.25 -1.94 116.25 111.51 2jyn h VAL 24 Ca -0.04 -1.00 -0.00 0.00 -1.23 0.00 0.00 66.70 64.43 2jyn h VAL 24 Cb 0.40 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 2jyn h VAL 24 CO 0.07 0.19 -0.00 -0.33 -1.23 0.00 0.00 177.57 176.26 2jyn h GLU 25 N 0.00 -0.01 -0.76 5.19 4.39 -1.09 -2.48 114.58 119.82 2jyn h GLU 25 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2jyn h GLU 25 Cb 0.68 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.30 2jyn h GLU 25 CO 0.02 0.10 0.31 1.96 -1.16 0.00 0.00 179.01 180.24 2jyn h GLN 26 N -0.12 1.13 -0.38 2.33 7.50 -1.18 -2.07 115.11 122.33 2jyn h GLN 26 Ca -0.00 -0.20 0.05 0.00 0.50 0.00 0.00 58.65 59.00 2jyn h GLN 26 Cb 0.12 -0.18 -0.05 0.00 0.05 0.00 0.00 27.48 27.41 2jyn h GLN 26 CO 0.00 0.92 0.09 0.00 -1.50 0.00 0.00 178.83 178.35 2jyn h ALA 27 N 1.15 0.42 0.00 3.87 0.00 -1.25 -0.99 119.26 122.47 2jyn h ALA 27 Ca 0.25 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.08 2jyn h ALA 27 Cb 0.21 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2jyn h ALA 27 CO -0.02 -0.31 -0.72 1.05 0.00 0.00 0.00 179.25 179.26 2jyn h GLU 28 N 0.23 0.00 0.06 0.00 4.11 -1.44 -2.71 114.58 114.82 2jyn h GLU 28 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.61 2jyn h GLU 28 Cb 0.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2jyn h GLU 28 CO -0.22 0.72 -0.05 1.15 0.07 0.00 0.00 179.01 180.68 2jyn h THR 29 N 0.00 0.89 -0.73 -1.06 2.02 -0.57 -0.21 112.91 113.25 2jyn h THR 29 Ca -0.01 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 2jyn h THR 29 Cb 1.33 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 2jyn h THR 29 CO 0.09 0.00 0.26 1.88 0.37 0.00 0.00 175.52 178.12 2jyn h TYR 30 N -0.12 1.13 -0.25 3.16 0.05 -1.26 -0.14 116.97 119.55 2jyn h TYR 30 Ca -0.00 -0.09 0.01 0.00 0.05 0.00 0.00 58.73 58.69 2jyn h TYR 30 Cb 0.11 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.49 2jyn h TYR 30 CO -0.09 0.88 0.14 2.35 -1.05 0.00 0.00 178.16 180.39 2jyn h TRP 31 N 1.07 0.27 0.00 4.88 2.91 -1.26 -2.16 115.95 121.66 2jyn h TRP 31 Ca 0.24 0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.19 2jyn h TRP 31 Cb 0.25 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 28.80 2jyn h TRP 31 CO 0.02 0.16 -0.40 0.87 -1.03 0.00 0.00 178.44 178.06 2jyn h LYS 32 N 0.30 0.00 0.06 2.65 1.79 -0.71 -1.65 116.57 119.01 2jyn h LYS 32 Ca 0.10 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2jyn h LYS 32 Cb -0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2jyn h LYS 32 CO -0.04 0.40 -0.03 -0.07 -1.08 0.00 0.00 179.45 178.63 2jyn h LEU 33 N 0.00 -0.07 -0.45 2.94 3.38 -0.84 -2.79 115.31 117.49 2jyn h LEU 33 Ca -0.00 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2jyn h LEU 33 Cb 0.98 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 2jyn h LEU 33 CO 0.05 0.16 0.17 -0.07 0.09 0.00 0.00 178.44 178.84 2jyn h LEU 34 N -0.30 0.62 -1.89 1.67 4.07 -1.18 -0.92 115.31 117.38 2jyn h LEU 34 Ca -0.01 -0.17 -0.01 0.00 0.08 0.00 0.00 57.88 57.77 2jyn h LEU 34 Cb 0.26 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.84 2jyn h LEU 34 CO 0.01 0.62 -0.06 0.71 -1.08 0.00 0.00 178.44 178.64 2jyn h THR 35 N 0.58 0.23 0.00 0.22 1.35 -1.36 -3.17 112.91 110.75 2jyn h THR 35 Ca 0.15 -0.48 -0.11 0.00 -0.55 0.00 0.00 66.41 65.42 2jyn h THR 35 Cb 0.20 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 67.98 2jyn h THR 35 CO -0.01 0.06 -0.74 0.28 -0.25 0.00 0.00 175.52 174.86 2jyn h SER 36 N 0.00 0.00 -4.31 5.36 0.02 -1.25 -3.47 113.55 109.89 2jyn h SER 36 Ca -0.00 -0.37 -0.37 0.00 -0.84 0.00 0.00 61.79 60.21 2jyn h SER 36 Cb 0.37 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.66 2jyn h SER 36 CO 0.01 1.11 -0.77 0.68 -1.14 0.00 0.00 176.83 176.72 2jyn s VAL 37 N -2.23 0.77 0.87 2.27 -7.23 -0.37 -5.12 120.40 109.36 2jyn s VAL 37 Ca -0.20 -0.78 -0.13 0.00 -1.81 0.00 0.00 61.98 59.06 2jyn s VAL 37 Cb 0.03 -0.72 0.07 0.00 0.56 0.00 0.00 36.38 36.32 2jyn s VAL 37 CO 0.43 -0.04 0.90 -2.65 -0.31 0.00 0.00 175.10 173.43 2jyn n PRO 38 N 2.13 -0.10 0.00 4.82 -0.02 -1.26 -3.84 135.00 136.73 2jyn n PRO 38 Ca -0.18 0.04 0.11 0.00 -2.02 0.00 0.00 63.50 61.45 2jyn n PRO 38 Cb 0.56 -2.20 0.64 0.00 -0.02 0.00 0.00 33.50 32.48 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 0.86 -0.80 0.14 -1.23 0.00 -1.26 -3.64 105.19 99.26 2jyn n GLY 39 Ca 0.11 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.12 0.48 1.61 0.02 -1.91 -3.21 113.55 110.66 2jyn h SER 40 Ca 0.00 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 2jyn h SER 40 Cb 0.00 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2jyn h SER 40 CO 0.00 0.11 -1.55 2.29 -1.14 0.00 0.00 176.83 176.53 2jyn n LYS 41 N -5.02 0.64 -2.47 3.45 0.00 -1.24 -4.87 118.16 108.65 2jyn n LYS 41 Ca -0.00 -0.02 -0.42 0.00 -0.00 0.00 0.00 58.31 57.87 2jyn n LYS 41 Cb 0.10 -1.68 -0.02 0.00 -0.00 0.00 0.00 35.03 33.44 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 -5.04 3.48 0.10 -5.58 1.43 -1.22 -5.01 118.68 106.84 2jyn s LEU 42 Ca -0.05 0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.44 2jyn s LEU 42 Cb 0.11 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 2jyn s LEU 42 CO 0.85 -1.54 0.11 -0.13 0.23 0.00 0.00 176.35 175.87 2jyn s ARG 43 N 5.11 2.95 -0.05 1.70 1.81 -1.26 -4.90 118.95 124.32 2jyn s ARG 43 Ca 0.51 -0.72 -0.20 0.00 -1.72 0.00 0.00 55.73 53.60 2jyn s ARG 43 Cb -0.10 -2.74 -0.31 0.00 -0.45 0.00 0.00 34.95 31.35 2jyn s ARG 43 CO 0.27 0.55 0.85 -0.07 -0.68 0.00 0.00 175.30 176.22 2jyn h LEU 44 N 2.99 0.50 0.00 2.53 -0.00 -1.96 -3.49 115.31 115.89 2jyn h LEU 44 Ca -0.47 -0.93 0.00 0.00 -0.00 0.00 0.00 57.88 56.48 2jyn h LEU 44 Cb 1.17 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.67 2jyn h LEU 44 CO 0.66 1.47 0.00 0.35 -0.00 0.00 0.00 178.44 180.92 2jyn n THR 45 N -4.04 0.00 0.07 0.22 -2.24 -1.26 -5.00 114.28 102.03 2jyn n THR 45 Ca -0.16 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.52 2jyn n THR 45 Cb 0.87 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 2jyn n THR 45 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2jyn h LYS 46 N 0.00 0.35 -0.45 -0.78 3.64 -2.03 -3.35 116.57 113.94 2jyn h LYS 46 Ca 0.00 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2jyn h LYS 46 Cb 0.00 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2jyn h LYS 46 CO 0.00 1.00 0.00 1.19 -2.27 0.00 0.00 179.45 179.37 2jyn n PHE 47 N -3.77 0.60 -0.10 1.91 3.72 -1.26 -4.64 117.46 113.92 2jyn n PHE 47 Ca -0.05 -0.40 -0.01 0.00 -0.05 0.00 0.00 57.45 56.94 2jyn n PHE 47 Cb 0.77 -0.01 0.24 0.00 -0.94 0.00 0.00 39.48 39.54 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 3.28 0.70 0.06 4.37 2.03 -1.95 -2.21 116.42 122.70 2jyn h ASP 48 Ca 0.00 -0.10 -0.00 0.00 -0.73 0.00 0.00 57.03 56.20 2jyn h ASP 48 Cb 0.85 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 39.17 2jyn h ASP 48 CO 0.00 0.66 -0.03 -0.78 -1.03 0.00 0.00 179.24 178.06 2jyn h ASP 49 N 0.74 -0.07 -0.43 4.15 3.58 -1.88 -2.74 116.42 119.77 2jyn h ASP 49 Ca 0.17 -0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.53 2jyn h ASP 49 Cb 0.21 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 2jyn h ASP 49 CO -0.01 -0.00 0.12 1.05 -2.88 0.00 0.00 179.24 177.52 2jyn h GLU 50 N -0.13 0.74 -0.36 0.28 4.11 -1.83 -2.77 114.58 114.62 2jyn h GLU 50 Ca -0.01 -0.14 0.06 0.00 0.07 0.00 0.00 59.36 59.34 2jyn h GLU 50 Cb 0.11 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 2jyn h GLU 50 CO 0.01 0.67 0.05 0.82 0.07 0.00 0.00 179.01 180.63 2jyn h ILE 51 N 0.72 0.79 -0.47 -1.06 2.04 -1.12 -0.69 117.51 117.71 2jyn h ILE 51 Ca 0.16 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.98 2jyn h ILE 51 Cb 0.26 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 2jyn h ILE 51 CO -0.00 0.03 0.30 0.22 0.00 0.00 0.00 178.15 178.70 2jyn h TYR 52 N 0.16 0.56 0.25 1.37 3.20 -1.32 -0.80 116.97 120.39 2jyn h TYR 52 Ca 0.17 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2jyn h TYR 52 Cb 0.22 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 2jyn h TYR 52 CO -0.21 0.34 -0.23 0.93 -1.64 0.00 0.00 178.16 177.36 2jyn h GLU 53 N 0.61 -0.48 0.00 1.82 4.39 -0.91 -0.47 114.58 119.54 2jyn h GLU 53 Ca 0.18 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2jyn h GLU 53 Cb -0.04 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2jyn h GLU 53 CO -0.06 -0.32 0.00 -2.95 -1.16 0.00 0.00 179.01 174.52 2jyn h ASN 54 N -0.50 0.00 -0.14 1.42 7.08 -1.23 -2.09 115.58 120.12 2jyn h ASN 54 Ca -0.01 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.17 2jyn h ASN 54 Cb 0.45 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.69 2jyn h ASN 54 CO -0.04 0.00 -0.08 0.15 -2.08 0.00 0.00 177.43 175.38 2jyn h PHE 55 N 0.00 0.36 0.00 4.14 3.57 -0.65 -0.69 116.94 123.67 2jyn h PHE 55 Ca 0.00 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.41 2jyn h PHE 55 Cb 0.70 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.36 2jyn h PHE 55 CO 0.00 0.65 0.00 0.00 -2.23 0.00 0.00 178.31 176.73 2jyn h MET 56 N -0.04 0.00 0.00 1.11 -0.00 -0.89 -0.29 114.93 114.81 2jyn h MET 56 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.71 2jyn h MET 56 Cb 0.57 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.16 2jyn h MET 56 CO 0.02 0.00 -0.29 0.93 -0.00 0.00 0.00 176.91 177.57 2jyn h GLU 57 N 0.00 0.00 0.00 -0.10 4.39 -1.42 -3.28 114.58 114.17 2jyn h GLU 57 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2jyn h GLU 57 Cb 0.76 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 2jyn h GLU 57 CO 0.00 0.23 -0.17 0.00 -1.16 0.00 0.00 179.01 177.92 2jyn h ARG 58 N -1.00 0.00 -2.16 2.33 -0.00 -1.19 -3.31 114.38 109.06 2jyn h ARG 58 Ca -0.04 0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 58.88 2jyn h ARG 58 Cb 0.43 0.00 -0.41 0.00 0.00 0.00 0.00 29.97 29.99 2jyn h ARG 58 CO -0.02 0.17 -0.81 1.19 0.00 0.00 0.00 179.97 180.50 2jyn n PHE 59 N -3.15 2.47 1.94 3.04 3.01 -0.12 -4.95 117.46 119.69 2jyn n PHE 59 Ca 0.03 -3.94 0.05 0.00 1.01 0.00 0.00 57.45 54.60 2jyn n PHE 59 Cb 0.58 -0.48 0.28 0.00 -0.01 0.00 0.00 39.48 39.85 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 0.47 0.97 0.20 -1.08 -0.04 -1.24 -3.06 135.00 131.22 2jyn n PRO 60 Ca 0.28 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.84 2jyn n PRO 60 Cb 0.47 -1.15 0.14 0.00 -0.04 0.00 0.00 33.50 32.91 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 -0.01 0.54 4.11 -1.91 -3.25 114.58 114.06 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 0.10 -0.25 2.48 0.07 0.00 0.00 179.01 181.40 2jyn n TYR 62 N -3.11 0.00 0.86 2.06 4.11 -1.17 -4.49 117.16 115.42 2jyn n TYR 62 Ca 0.03 0.00 0.07 0.00 -0.00 0.00 0.00 57.90 58.01 2jyn n TYR 62 Cb 0.57 -0.06 0.42 0.00 -0.00 0.00 0.00 39.34 40.27 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 -0.22 0.38 -1.84 -3.48 2.85 -1.23 -2.79 118.16 111.83 2jyn n LYS 63 Ca 0.13 0.06 -0.40 0.00 -1.05 0.00 0.00 58.31 57.05 2jyn n LYS 63 Cb 0.40 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.29 2jyn n LYS 63 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2jyn s ASP 64 N -2.22 5.89 0.36 -5.58 2.15 -1.26 -4.87 116.67 111.14 2jyn s ASP 64 Ca 0.19 2.87 0.03 0.00 0.43 0.00 0.00 52.55 56.07 2jyn s ASP 64 Cb 0.10 -2.65 0.67 0.00 -0.30 0.00 0.00 42.92 40.74 2jyn s ASP 64 CO 0.19 -1.16 2.01 0.58 -0.17 0.00 0.00 175.17 176.62 2jyn h VAL 65 N 2.26 1.16 0.01 1.11 2.07 -2.00 0.40 116.25 121.26 2jyn h VAL 65 Ca -0.51 -0.32 -0.14 0.00 0.82 0.00 0.00 66.70 66.55 2jyn h VAL 65 Cb 1.27 0.33 0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2jyn h VAL 65 CO 0.61 0.16 -0.57 -0.33 0.02 0.00 0.00 177.57 177.46 2jyn h GLU 66 N 0.78 0.36 0.00 1.57 5.08 -1.92 -2.72 114.58 117.74 2jyn h GLU 66 Ca 0.21 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2jyn h GLU 66 Cb -0.06 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2jyn h GLU 66 CO -0.04 1.09 0.00 0.00 -1.00 0.00 0.00 179.01 179.06 2jyn h ARG 67 N -0.19 0.00 0.22 2.33 2.47 -1.58 -0.15 114.38 117.48 2jyn h ARG 67 Ca -0.07 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 58.31 2jyn h ARG 67 Cb 1.30 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.64 2jyn h ARG 67 CO 0.11 0.00 -1.55 0.28 0.56 0.00 0.00 179.97 179.37 2jyn h VAL 68 N 0.00 1.14 0.09 2.04 2.07 -0.76 -3.39 116.25 117.44 2jyn h VAL 68 Ca 0.00 -2.60 -0.27 0.00 0.82 0.00 0.00 66.70 64.65 2jyn h VAL 68 Cb 0.21 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 2jyn h VAL 68 CO 0.00 0.82 -1.26 0.07 0.02 0.00 0.00 177.57 177.22 2jyn h LYS 69 N 0.08 0.20 -4.06 1.57 2.10 -0.90 -3.38 116.57 112.17 2jyn h LYS 69 Ca -0.29 -0.34 -0.12 0.00 -2.00 0.00 0.00 60.65 57.91 2jyn h LYS 69 Cb 2.10 0.12 -0.14 0.00 -0.90 0.00 0.00 32.23 33.41 2jyn h LYS 69 CO 0.22 1.12 -0.50 -1.59 -2.00 0.00 0.00 179.45 176.70 2jyn s LYS 70 N -2.66 0.84 0.16 0.07 0.00 -0.18 -1.13 119.74 116.84 2jyn s LYS 70 Ca -0.04 -1.16 0.02 0.00 0.00 0.00 0.00 55.97 54.79 2jyn s LYS 70 Cb 0.08 0.29 -0.01 0.00 0.00 0.00 0.00 37.83 38.19 2jyn s LYS 70 CO 0.86 -0.24 0.18 1.97 0.00 0.00 0.00 175.35 178.12 2jyn n PHE 71 N -0.04 -0.64 -4.43 1.78 1.16 -0.89 -4.31 117.46 110.09 2jyn n PHE 71 Ca -0.12 -1.24 -0.22 0.00 -1.87 0.00 0.00 57.45 54.00 2jyn n PHE 71 Cb 0.62 0.20 -0.10 0.00 -1.61 0.00 0.00 39.48 38.59 2jyn n PHE 71 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 2jyn s THR 72 N -2.63 2.14 0.09 1.97 2.01 -1.26 -4.81 115.64 113.15 2jyn s THR 72 Ca 0.17 -2.30 -0.11 0.00 0.31 0.00 0.00 61.69 59.75 2jyn s THR 72 Cb 0.00 -2.26 -0.22 0.00 0.01 0.00 0.00 72.50 70.03 2jyn s THR 72 CO 0.12 -0.44 1.22 1.05 -0.69 0.00 0.00 174.62 175.88 2jyn h GLU 73 N 2.34 0.61 -0.02 4.92 4.11 -1.99 -3.35 114.58 121.20 2jyn h GLU 73 Ca -0.40 -0.67 -0.08 0.00 0.07 0.00 0.00 59.36 58.28 2jyn h GLU 73 Cb 1.24 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 2jyn h GLU 73 CO 0.62 1.27 -0.38 1.05 0.07 0.00 0.00 179.01 181.64 2jyn h GLU 74 N 0.34 0.05 0.00 1.06 4.11 -1.99 -1.23 114.58 116.91 2jyn h GLU 74 Ca -0.12 -0.02 -0.04 0.00 0.07 0.00 0.00 59.36 59.25 2jyn h GLU 74 Cb 1.68 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 2jyn h GLU 74 CO 0.20 0.42 -0.20 1.05 0.07 0.00 0.00 179.01 180.55 2jyn h GLU 75 N 0.04 0.00 0.00 1.06 4.11 -2.01 -2.95 114.58 114.84 2jyn h GLU 75 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jyn h GLU 75 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2jyn h GLU 75 CO 0.05 0.20 -0.59 -0.07 0.07 0.00 0.00 179.01 178.67 2jyn h LEU 76 N 0.00 0.00 0.00 3.06 3.38 -1.37 -3.33 115.31 117.05 2jyn h LEU 76 Ca -0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2jyn h LEU 76 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2jyn h LEU 76 CO 0.03 0.06 0.00 0.29 0.09 0.00 0.00 178.44 178.90 2jyn n LYS 77 N -2.36 0.11 -1.81 1.13 4.76 -0.98 -4.20 118.16 114.81 2jyn n LYS 77 Ca 0.03 0.03 -0.31 0.00 -2.87 0.00 0.00 58.31 55.19 2jyn n LYS 77 Cb 0.47 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 32.19 2jyn n LYS 77 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2jyn s THR 78 N -2.89 4.28 0.11 -0.18 -1.32 -1.25 -4.97 115.64 109.43 2jyn s THR 78 Ca 0.17 0.74 -0.22 0.00 -1.21 0.00 0.00 61.69 61.17 2jyn s THR 78 Cb 0.18 -3.68 -0.08 0.00 -1.51 0.00 0.00 72.50 67.41 2jyn s THR 78 CO 0.48 -0.97 1.71 0.50 -2.21 0.00 0.00 174.62 174.12 2jyn h LYS 79 N -0.49 -0.08 -0.83 7.08 3.64 -1.93 -2.95 116.57 121.01 2jyn h LYS 79 Ca -0.44 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.98 2jyn h LYS 79 Cb 1.21 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.00 2jyn h LYS 79 CO 0.61 -0.05 0.53 0.93 -2.27 0.00 0.00 179.45 179.20 2jyn h GLU 80 N -0.09 1.01 -0.27 1.90 3.07 -1.95 -2.26 114.58 115.99 2jyn h GLU 80 Ca 0.05 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 58.79 2jyn h GLU 80 Cb 0.16 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 2jyn h GLU 80 CO -0.12 0.67 -0.07 0.00 -1.40 0.00 0.00 179.01 178.09 2jyn h ALA 81 N 1.35 0.38 -0.59 3.43 0.00 -1.81 -0.41 119.26 121.61 2jyn h ALA 81 Ca 0.33 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2jyn h ALA 81 Cb 0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2jyn h ALA 81 CO -0.12 0.19 0.13 0.87 0.00 0.00 0.00 179.25 180.32 2jyn h LYS 82 N 0.28 0.92 -0.45 0.00 1.57 -1.33 0.86 116.57 118.42 2jyn h LYS 82 Ca 0.07 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 2jyn h LYS 82 Cb 0.55 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2jyn h LYS 82 CO 0.03 0.84 0.15 0.93 -0.57 0.00 0.00 179.45 180.83 2jyn h GLU 83 N 0.88 0.70 -0.63 3.15 5.08 -1.33 -2.68 114.58 119.76 2jyn h GLU 83 Ca 0.19 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2jyn h GLU 83 Cb 0.34 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2jyn h GLU 83 CO 0.00 0.66 0.38 0.00 -1.00 0.00 0.00 179.01 179.05 2jyn h ARG 84 N 0.59 0.84 -0.76 2.33 3.08 -0.14 -0.21 114.38 120.12 2jyn h ARG 84 Ca 0.15 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 2jyn h ARG 84 Cb 0.24 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 2jyn h ARG 84 CO -0.01 0.59 0.36 -1.49 -1.07 0.00 0.00 179.97 178.36 2jyn h TRP 85 N 0.86 1.10 -0.20 3.04 4.06 -0.74 -0.43 115.95 123.64 2jyn h TRP 85 Ca 0.23 -0.06 -0.09 0.00 2.06 0.00 0.00 58.89 61.03 2jyn h TRP 85 Cb -0.03 -0.34 -0.00 0.00 -1.00 0.00 0.00 29.16 27.78 2jyn h TRP 85 CO 0.00 0.81 -0.21 -0.09 -3.56 0.00 0.00 178.44 175.39 2jyn h ARG 86 N 1.07 0.50 -0.27 0.49 2.43 -1.00 -1.04 114.38 116.56 2jyn h ARG 86 Ca 0.26 -0.27 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2jyn h ARG 86 Cb 0.13 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2jyn h ARG 86 CO -0.03 0.85 0.10 0.87 -1.51 0.00 0.00 179.97 180.24 2jyn h LYS 87 N 0.17 0.37 -0.10 0.20 6.56 -0.97 -0.51 116.57 122.29 2jyn h LYS 87 Ca 0.03 -0.04 -0.22 0.00 -1.06 0.00 0.00 60.65 59.36 2jyn h LYS 87 Cb 0.76 -0.07 0.01 0.00 -0.57 0.00 0.00 32.23 32.35 2jyn h LYS 87 CO 0.05 0.32 -0.83 0.35 -2.06 0.00 0.00 179.45 177.28 2jyn h PHE 88 N 0.37 0.92 -0.45 -1.35 3.57 -0.97 -3.13 116.94 115.91 2jyn h PHE 88 Ca 0.09 -0.43 -0.02 0.00 3.53 0.00 0.00 57.97 61.15 2jyn h PHE 88 Cb 0.10 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 2jyn h PHE 88 CO 0.00 1.25 0.22 0.35 -2.23 0.00 0.00 178.31 177.90 2jyn h PHE 89 N 0.44 0.65 0.00 0.41 3.57 -0.68 -3.02 116.94 118.30 2jyn h PHE 89 Ca -0.06 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.41 2jyn h PHE 89 Cb 1.45 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.99 2jyn h PHE 89 CO 0.08 0.52 0.00 1.79 -2.23 0.00 0.00 178.31 178.47 2jyn h THR 90 N 0.59 0.00 -0.09 4.41 1.35 -1.07 0.31 112.91 118.40 2jyn h THR 90 Ca 0.16 -0.12 -0.05 0.00 -0.55 0.00 0.00 66.41 65.84 2jyn h THR 90 Cb 0.11 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 2jyn h THR 90 CO -0.02 0.00 -0.15 0.40 -0.25 0.00 0.00 175.52 175.50 2jyn h ILE 91 N 0.00 1.40 -0.55 6.82 2.04 -1.48 -3.37 117.51 122.37 2jyn h ILE 91 Ca 0.00 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.43 2jyn h ILE 91 Cb 0.17 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 2jyn h ILE 91 CO 0.00 0.40 0.00 0.49 0.00 0.00 0.00 178.15 179.04 2jyn n PHE 92 N -4.59 0.73 0.29 1.37 3.72 0.77 -4.21 117.46 115.55 2jyn n PHE 92 Ca -0.07 -0.37 0.19 0.00 -0.05 0.00 0.00 57.45 57.15 2jyn n PHE 92 Cb 0.38 0.00 0.84 0.00 -0.94 0.00 0.00 39.48 39.76 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 3.94 0.00 -0.18 -1.08 -0.00 -0.88 0.26 114.58 116.64 2jyn h GLU 93 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 59.36 59.22 2jyn h GLU 93 Cb 0.89 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.63 2jyn h GLU 93 CO 0.00 0.01 -0.48 0.87 -0.00 0.00 0.00 179.01 179.41 2jyn h LYS 94 N 0.00 0.46 0.00 1.06 1.79 -1.86 -3.44 116.57 114.57 2jyn h LYS 94 Ca -0.00 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2jyn h LYS 94 Cb 0.36 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2jyn h LYS 94 CO 0.00 0.84 -0.05 0.36 -1.08 0.00 0.00 179.45 179.51 2jyn n LYS 95 N -3.98 0.03 -2.41 3.15 0.00 -0.52 -4.95 118.16 109.48 2jyn n LYS 95 Ca -0.02 0.01 -0.38 0.00 -0.00 0.00 0.00 58.31 57.92 2jyn n LYS 95 Cb 0.55 -0.29 -0.03 0.00 -0.00 0.00 0.00 35.03 35.25 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 -1.45 3.72 0.12 0.58 -1.09 0.79 -4.78 121.20 119.09 2jyn s ILE 96 Ca -0.02 -0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.13 2jyn s ILE 96 Cb 0.00 -4.72 -0.22 0.00 -1.58 0.00 0.00 42.46 35.95 2jyn s ILE 96 CO 0.02 -1.63 1.26 -0.33 -1.23 0.00 0.00 174.94 173.03 2jyn h GLU 97 N 10.68 0.21 -0.99 2.79 5.08 -1.89 -3.34 114.58 127.12 2jyn h GLU 97 Ca 0.00 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 2jyn h GLU 97 Cb 1.04 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2jyn h GLU 97 CO 1.33 1.08 0.02 -0.25 -1.00 0.00 0.00 179.01 180.19 2jyn n ASP 98 N -3.56 2.31 0.02 1.42 8.00 -1.26 -4.48 116.55 118.99 2jyn n ASP 98 Ca -0.05 -2.07 -0.11 0.00 0.71 0.00 0.00 54.79 53.27 2jyn n ASP 98 Cb 0.92 -0.52 0.03 0.00 -0.02 0.00 0.00 41.12 41.53 2jyn n ASP 98 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2jyn h TYR 99 N 0.12 0.70 -0.53 1.24 -0.00 -1.95 -3.27 116.97 113.28 2jyn h TYR 99 Ca 0.02 -0.28 -0.07 0.00 -0.00 0.00 0.00 58.73 58.40 2jyn h TYR 99 Cb 0.89 -0.12 -0.04 0.00 -0.00 0.00 0.00 36.73 37.45 2jyn h TYR 99 CO 0.08 1.03 0.09 0.27 -0.00 0.00 0.00 178.16 179.63 2jyn n ASN 100 N -3.91 4.66 -4.77 0.10 2.04 -1.26 -1.09 115.26 111.03 2jyn n ASN 100 Ca -0.04 -2.85 -0.39 0.00 -0.44 0.00 0.00 54.58 50.85 2jyn n ASN 100 Cb 0.66 -0.67 -0.06 0.00 -2.53 0.00 0.00 39.78 37.18 2jyn n ASN 100 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 2jyn s PHE 101 N -2.48 3.80 -0.22 -2.53 5.36 -1.23 -4.83 117.98 115.85 2jyn s PHE 101 Ca 0.45 1.44 -0.29 0.00 -0.96 0.00 0.00 56.93 57.57 2jyn s PHE 101 Cb 0.35 -2.71 -0.03 0.00 -0.34 0.00 0.00 43.02 40.29 2jyn s PHE 101 CO 0.12 0.43 1.71 0.20 -1.46 0.00 0.00 175.22 176.22 2jyn s GLY 102 N -0.63 1.12 0.07 13.12 0.00 -1.26 -1.29 107.32 118.45 2jyn s GLY 102 Ca 0.35 0.52 0.02 0.00 0.00 0.00 0.00 44.72 45.61 2jyn s GLY 102 CO 0.22 3.13 -0.08 -1.59 0.00 0.00 0.00 173.10 174.79 2jyn s THR 103 N 5.63 0.66 -0.32 0.90 2.01 -0.58 -4.11 115.64 119.83 2jyn s THR 103 Ca 0.76 -1.49 -0.13 0.00 0.31 0.00 0.00 61.69 61.14 2jyn s THR 103 Cb -0.26 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 2jyn s THR 103 CO 0.31 -0.59 0.24 -0.22 -0.69 0.00 0.00 174.62 173.66 2jyn s LEU 104 N -2.27 4.38 -0.07 4.42 1.98 -1.23 -1.43 118.68 124.48 2jyn s LEU 104 Ca 0.01 -0.30 -0.00 0.00 -2.89 0.00 0.00 54.13 50.95 2jyn s LEU 104 Cb -0.03 -2.15 -0.03 0.00 0.66 0.00 0.00 46.19 44.64 2jyn s LEU 104 CO -0.02 -0.19 -0.03 -0.22 -1.89 0.00 0.00 176.35 174.00 2jyn s LEU 105 N 1.75 3.39 0.05 -0.68 2.96 -0.53 -4.57 118.68 121.05 2jyn s LEU 105 Ca 0.07 0.05 -0.30 0.00 -0.22 0.00 0.00 54.13 53.73 2jyn s LEU 105 Cb -0.17 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 2jyn s LEU 105 CO 0.11 0.36 1.08 -0.13 -1.32 0.00 0.00 176.35 176.45 2jyn s ARG 106 N -0.93 4.51 0.42 1.98 0.52 -1.26 -1.02 118.95 123.17 2jyn s ARG 106 Ca 0.14 1.60 0.20 0.00 -0.52 0.00 0.00 55.73 57.15 2jyn s ARG 106 Cb -0.11 -3.39 0.90 0.00 0.52 0.00 0.00 34.95 32.87 2jyn s ARG 106 CO 0.03 -0.12 1.84 1.79 0.02 0.00 0.00 175.30 178.86 2jyn h THR 107 N 4.54 0.84 -3.96 0.02 1.35 -1.50 -3.45 112.91 110.76 2jyn h THR 107 Ca -0.42 -1.19 -0.34 0.00 -0.55 0.00 0.00 66.41 63.92 2jyn h THR 107 Cb 1.22 1.72 -0.21 0.00 -1.73 0.00 0.00 68.15 69.15 2jyn h THR 107 CO 0.77 0.29 -0.75 -0.62 -0.25 0.00 0.00 175.52 174.96 2jyn s ASP 108 N -6.43 1.22 0.19 5.36 2.15 -1.25 -2.10 116.67 115.81 2jyn s ASP 108 Ca -0.01 -0.58 -0.05 0.00 0.43 0.00 0.00 52.55 52.33 2jyn s ASP 108 Cb 0.12 -0.00 0.11 0.00 -0.30 0.00 0.00 42.92 42.85 2jyn s ASP 108 CO 0.66 -0.15 1.55 0.00 -0.17 0.00 0.00 175.17 177.06 2jyn h ALA 109 N 4.40 0.74 -0.48 3.66 0.00 -1.43 -3.08 119.26 123.06 2jyn h ALA 109 Ca -0.38 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2jyn h ALA 109 Cb 1.20 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2jyn h ALA 109 CO 0.41 0.66 0.00 0.43 0.00 0.00 0.00 179.25 180.74 2jyn n SER 110 N -4.05 3.55 -4.94 0.00 7.64 -1.26 -4.72 113.62 109.84 2jyn n SER 110 Ca -0.02 -2.30 -0.20 0.00 1.01 0.00 0.00 58.87 57.36 2jyn n SER 110 Cb 0.52 -0.48 -0.02 0.00 -1.01 0.00 0.00 64.21 63.22 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 -1.72 3.97 0.00 -0.43 0.00 -1.17 -5.15 121.76 117.26 2jyn s ALA 111 Ca 0.37 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.95 2jyn s ALA 111 Cb 0.24 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.78 2jyn s ALA 111 CO 0.19 0.12 0.00 -0.85 0.00 0.00 0.00 175.76 175.22 2jyn n GLU 112 N -1.45 1.48 -2.70 0.00 -0.00 -1.26 -4.95 120.64 111.77 2jyn n GLU 112 Ca -0.05 0.00 -0.43 0.00 -0.00 0.00 0.00 57.16 56.68 2jyn n GLU 112 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.02 2jyn n GLU 112 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.13 179.61 2jyn n TYR 113 N -0.55 4.35 -4.72 -1.84 4.11 -1.26 -4.16 117.16 113.09 2jyn n TYR 113 Ca 0.00 -3.14 -0.32 0.00 -0.00 0.00 0.00 57.90 54.45 2jyn n TYR 113 Cb 0.00 -2.19 -0.08 0.00 -0.00 0.00 0.00 39.34 37.07 2jyn n TYR 113 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 2jyn s GLY 114 N 2.47 2.92 0.21 -7.48 0.00 -1.26 -4.95 107.32 99.23 2jyn s GLY 114 Ca 0.43 -0.71 -0.08 0.00 0.00 0.00 0.00 44.72 44.36 2jyn s GLY 114 CO 0.01 -2.15 1.78 1.46 0.00 0.00 0.00 173.10 174.20 2jyn h GLN 115 N 1.45 1.19 0.00 2.90 1.08 -1.93 -1.17 115.11 118.64 2jyn h GLN 115 Ca -0.43 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 56.55 2jyn h GLN 115 Cb 1.30 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 2jyn h GLN 115 CO 0.73 0.97 -0.95 1.19 -0.95 0.00 0.00 178.83 179.82 2jyn n PHE 116 N -4.28 0.00 0.87 2.96 3.72 -1.26 -4.40 117.46 115.07 2jyn n PHE 116 Ca 0.07 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.59 2jyn n PHE 116 Cb 0.19 -0.09 0.25 0.00 -0.94 0.00 0.00 39.48 38.89 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 -1.52 0.10 -3.93 4.37 -2.24 -1.15 -4.76 114.28 105.16 2jyn n THR 117 Ca 0.01 -0.08 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 2jyn n THR 117 Cb 0.27 0.09 -0.11 0.00 -2.10 0.00 0.00 70.33 68.48 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 0.08 0.04 4.28 -4.23 -0.45 -1.31 115.64 110.99 2jyn s THR 118 Ca 0.10 -0.64 -0.02 0.00 -1.18 0.00 0.00 61.69 59.95 2jyn s THR 118 Cb 0.16 -0.26 -0.03 0.00 1.34 0.00 0.00 72.50 73.72 2jyn s THR 118 CO 0.70 -0.35 0.00 0.00 -0.54 0.00 0.00 174.62 174.42 2jyn s PHE 120 N -2.83 3.26 0.09 0.00 0.40 -1.26 -1.45 117.98 116.19 2jyn s PHE 120 Ca -0.03 0.82 0.01 0.00 -0.60 0.00 0.00 56.93 57.13 2jyn s PHE 120 Cb 0.00 -2.94 -0.00 0.00 0.51 0.00 0.00 43.02 40.59 2jyn s PHE 120 CO -0.06 -0.39 0.03 1.33 0.70 0.00 0.00 175.22 176.84 2jyn n VAL 121 N 5.28 0.00 -2.31 -0.44 0.24 -0.51 -4.98 118.33 115.61 2jyn n VAL 121 Ca 0.01 -0.52 -0.26 0.00 -2.04 0.00 0.00 64.34 61.52 2jyn n VAL 121 Cb 0.49 0.19 0.05 0.00 -1.47 0.00 0.00 33.84 33.09 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 -1.89 3.12 0.26 3.34 -7.23 -1.26 -1.52 120.40 115.21 2jyn s VAL 122 Ca 0.05 -0.09 -0.02 0.00 -1.81 0.00 0.00 61.98 60.11 2jyn s VAL 122 Cb 0.00 -3.28 0.26 0.00 0.56 0.00 0.00 36.38 33.92 2jyn s VAL 122 CO 0.03 -0.29 1.85 0.03 -0.31 0.00 0.00 175.10 176.41 2jyn h ARG 123 N -0.35 1.00 -0.09 4.82 2.47 0.26 -1.51 114.38 120.98 2jyn h ARG 123 Ca -0.45 -0.06 0.01 0.00 -1.26 0.00 0.00 59.98 58.22 2jyn h ARG 123 Cb 1.28 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 29.36 2jyn h ARG 123 CO 0.60 0.66 0.03 1.25 0.56 0.00 0.00 179.97 183.07 2jyn h LEU 124 N 1.03 0.03 -0.29 3.04 7.12 -1.64 -0.49 115.31 124.11 2jyn h LEU 124 Ca 0.44 0.01 -0.20 0.00 0.13 0.00 0.00 57.88 58.26 2jyn h LEU 124 Cb 0.30 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.44 2jyn h LEU 124 CO -0.21 0.03 -0.79 1.56 -0.13 0.00 0.00 178.44 178.90 2jyn h GLN 125 N 0.07 0.51 0.07 1.25 1.08 -1.83 -1.82 115.11 114.45 2jyn h GLN 125 Ca 0.04 -0.44 0.02 0.00 -1.45 0.00 0.00 58.65 56.82 2jyn h GLN 125 Cb 0.02 0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.51 2jyn h GLN 125 CO -0.04 1.08 -0.38 0.35 -0.95 0.00 0.00 178.83 178.88 2jyn h PHE 126 N 0.34 -1.06 0.51 2.96 3.57 -1.04 -2.96 116.94 119.25 2jyn h PHE 126 Ca -0.05 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 2jyn h PHE 126 Cb 1.39 0.46 -0.01 0.00 2.79 0.00 0.00 35.95 40.57 2jyn h PHE 126 CO 0.06 -0.48 -0.43 1.88 -2.23 0.00 0.00 178.31 177.11 2jyn h TYR 127 N -0.58 -1.18 -0.90 0.41 0.05 -1.10 -2.84 116.97 110.83 2jyn h TYR 127 Ca 0.04 0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.91 2jyn h TYR 127 Cb 0.63 0.45 -0.12 0.00 1.01 0.00 0.00 36.73 38.70 2jyn h TYR 127 CO -0.36 -0.59 -0.55 0.00 -1.05 0.00 0.00 178.16 175.61 2jyn h ALA 128 N -1.11 -0.46 -0.24 3.88 0.00 -1.23 0.17 119.26 120.26 2jyn h ALA 128 Ca -0.07 0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 2jyn h ALA 128 Cb 0.78 1.27 0.00 0.00 0.00 0.00 0.00 17.79 19.83 2jyn h ALA 128 CO -0.01 -0.92 -0.59 0.74 0.00 0.00 0.00 179.25 178.48 2jyn h PHE 129 N -0.07 1.00 -0.33 0.00 0.04 -1.63 -2.92 116.94 113.03 2jyn h PHE 129 Ca 0.18 -0.37 -0.11 0.00 2.80 0.00 0.00 57.97 60.47 2jyn h PHE 129 Cb 0.47 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 2jyn h PHE 129 CO -0.95 1.18 -0.23 1.49 -0.60 0.00 0.00 178.31 179.20 2jyn h GLU 130 N 0.60 0.65 -0.21 1.51 4.57 -0.82 -2.80 114.58 118.07 2jyn h GLU 130 Ca 0.00 -0.25 -0.03 0.00 -1.18 0.00 0.00 59.36 57.90 2jyn h GLU 130 Cb 1.18 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 2jyn h GLU 130 CO 0.12 0.83 0.02 0.82 -1.18 0.00 0.00 179.01 179.62 2jyn h ILE 131 N 0.57 1.24 0.21 2.32 2.04 -0.77 -1.28 117.51 121.84 2jyn h ILE 131 Ca 0.08 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.14 2jyn h ILE 131 Cb 0.70 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 2jyn h ILE 131 CO 0.05 0.25 -0.45 0.00 0.00 0.00 0.00 178.15 178.01 2jyn h ALA 132 N 0.82 -0.85 0.00 1.87 0.00 -1.36 -0.54 119.26 119.20 2jyn h ALA 132 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jyn h ALA 132 Cb 0.36 0.72 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2jyn h ALA 132 CO 0.01 -1.04 0.00 0.07 0.00 0.00 0.00 179.25 178.29 2jyn h ARG 133 N -0.74 0.00 -0.05 0.00 0.11 -1.55 -2.31 114.38 109.84 2jyn h ARG 133 Ca -0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 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 -0.20 0.00 -0.13 -0.97 0.10 0.00 0.00 179.97 178.77 2jyn h ASN 134 N 0.00 0.20 -0.10 0.08 -1.24 -0.78 0.49 115.58 114.24 2jyn h ASN 134 Ca 0.00 -0.59 -0.08 0.00 0.71 0.00 0.00 56.30 56.34 2jyn h ASN 134 Cb 0.65 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 2jyn h ASN 134 CO 0.00 0.75 -0.19 0.11 -1.29 0.00 0.00 177.43 176.81 2jyn h LYS 135 N -0.35 0.49 0.00 6.67 1.57 -0.98 -1.72 116.57 122.25 2jyn h LYS 135 Ca -0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2jyn h LYS 135 Cb 0.73 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2jyn h LYS 135 CO 0.03 0.66 0.00 0.45 -0.57 0.00 0.00 179.45 180.02 2jyn h HIS 136 N 0.44 0.00 -0.19 -1.35 3.86 -1.50 -3.47 115.15 112.94 2jyn h HIS 136 Ca 0.07 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.24 2jyn h HIS 136 Cb 0.58 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 2jyn h HIS 136 CO 0.02 0.00 -0.05 0.41 0.86 0.00 0.00 177.93 179.17 2jyn n GLY 137 N 0.87 0.45 0.10 2.45 0.00 -0.65 -4.92 105.19 103.49 2jyn n GLY 137 Ca 0.04 -0.91 0.15 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.28 0.31 -0.72 0.99 4.32 0.11 -2.59 117.00 119.13 2jyn n LEU 138 Ca -0.02 -0.08 0.08 0.00 -0.02 0.00 0.00 56.01 55.96 2jyn n LEU 138 Cb 0.24 -0.02 0.11 0.00 -1.62 0.00 0.00 43.42 42.13 2jyn n LEU 138 CO 0.03 0.05 0.56 0.59 -1.22 0.00 0.00 177.39 177.40 2jyn n ASN 139 N -0.79 2.63 0.27 -1.43 3.02 -1.18 -4.42 115.26 113.37 2jyn n ASN 139 Ca 0.22 -1.77 0.17 0.00 -0.03 0.00 0.00 54.58 53.17 2jyn n ASN 139 Cb 0.17 -0.10 0.69 0.00 -0.61 0.00 0.00 39.78 39.92 2jyn n ASN 139 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2jyn h ASP 140 N 3.03 0.00 0.31 6.41 3.58 -1.81 -2.26 116.42 125.67 2jyn h ASP 140 Ca 0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 2jyn h ASP 140 Cb 0.71 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 2jyn h ASP 140 CO 0.00 0.03 -0.24 4.11 -2.88 0.00 0.00 179.24 180.26 2jyn h TRP 141 N 0.00 0.00 -0.14 0.28 5.08 -1.82 -2.36 115.95 116.99 2jyn h TRP 141 Ca -0.00 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.81 2jyn h TRP 141 Cb 0.51 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.66 2jyn h TRP 141 CO 0.00 0.24 -0.59 0.82 -1.28 0.00 0.00 178.44 177.63 2jyn h ILE 142 N 0.00 1.34 0.00 0.12 2.04 -1.76 -2.61 117.51 116.64 2jyn h ILE 142 Ca -0.00 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 63.98 2jyn h ILE 142 Cb 0.46 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 2jyn h ILE 142 CO 0.03 0.57 0.00 1.33 0.00 0.00 0.00 178.15 180.09 2jyn n VAL 143 N -3.93 0.54 -2.75 1.67 0.24 -0.92 -3.28 118.33 109.91 2jyn n VAL 143 Ca -0.03 0.10 -0.23 0.00 -2.04 0.00 0.00 64.34 62.14 2jyn n VAL 143 Cb 0.62 -0.78 -0.01 0.00 -1.47 0.00 0.00 33.84 32.20 2jyn n VAL 143 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jyn n GLY 144 N 0.72 4.81 3.62 7.63 0.00 -0.98 -4.80 105.19 116.18 2jyn n GLY 144 Ca 0.05 -2.38 -0.30 0.00 0.00 0.00 0.00 46.02 43.39 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 -3.30 -0.81 0.00 1.61 -1.52 -1.13 -4.90 119.66 109.60 2jyn s GLN 145 Ca 0.44 0.05 0.31 0.00 -1.95 0.00 0.00 55.36 54.21 2jyn s GLN 145 Cb 0.37 -1.63 1.71 0.00 -0.22 0.00 0.00 33.01 33.23 2jyn s GLN 145 CO -0.12 -3.46 2.12 1.63 -0.25 0.00 0.00 175.29 175.21