#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jyn n SER 2 N 0.00 3.01 -4.78 7.83 7.64 -1.26 -5.04 113.62 121.02 2jyn n SER 2 Ca 0.00 -3.69 -0.37 0.00 1.01 0.00 0.00 58.87 55.82 2jyn n SER 2 Cb 0.00 -0.71 -0.05 0.00 -1.01 0.00 0.00 64.21 62.44 2jyn n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2jyn s THR 3 N -3.25 3.90 -0.01 0.44 -1.32 -1.26 -4.72 115.64 109.42 2jyn s THR 3 Ca 0.49 1.56 -0.29 0.00 -1.21 0.00 0.00 61.69 62.24 2jyn s THR 3 Cb 0.43 -3.86 0.08 0.00 -1.51 0.00 0.00 72.50 67.64 2jyn s THR 3 CO 0.04 0.11 0.69 0.12 -2.21 0.00 0.00 174.62 173.38 2jyn s PHE 4 N -1.57 -0.60 0.08 9.09 5.36 -1.26 -5.15 117.98 123.92 2jyn s PHE 4 Ca 0.53 0.88 -0.31 0.00 -0.96 0.00 0.00 56.93 57.07 2jyn s PHE 4 Cb -0.22 0.45 -0.08 0.00 -0.34 0.00 0.00 43.02 42.84 2jyn s PHE 4 CO 0.28 -0.64 1.51 0.54 -1.46 0.00 0.00 175.22 175.45 2jyn s ASN 5 N -1.59 6.72 0.81 6.13 2.20 -1.26 -4.99 114.94 122.96 2jyn s ASN 5 Ca -0.07 2.37 -0.10 0.00 -0.94 0.00 0.00 52.86 54.12 2jyn s ASN 5 Cb -0.00 -2.57 0.11 0.00 -2.00 0.00 0.00 41.25 36.79 2jyn s ASN 5 CO 0.03 -0.78 1.14 0.00 -2.94 0.00 0.00 177.10 174.56 2jyn s ALA 6 N 1.99 2.84 -0.17 3.54 0.00 -1.26 -5.04 121.76 123.66 2jyn s ALA 6 Ca 0.68 -1.04 -0.28 0.00 0.00 0.00 0.00 51.96 51.32 2jyn s ALA 6 Cb -0.37 -2.66 0.09 0.00 0.00 0.00 0.00 23.12 20.17 2jyn s ALA 6 CO 0.30 -1.74 0.81 -2.00 0.00 0.00 0.00 175.76 173.13 2jyn s GLU 7 N -5.50 0.82 -0.18 0.00 2.12 -1.26 -5.11 118.70 109.58 2jyn s GLU 7 Ca 0.65 0.48 0.01 0.00 0.36 0.00 0.00 54.97 56.47 2jyn s GLU 7 Cb -0.08 0.39 0.03 0.00 0.26 0.00 0.00 34.13 34.73 2jyn s GLU 7 CO 0.48 -0.20 -0.14 0.95 -0.54 0.00 0.00 175.26 175.82 2jyn s THR 8 N -0.54 1.73 -0.05 -1.70 -4.23 -1.26 -4.66 115.64 104.93 2jyn s THR 8 Ca -0.04 -0.90 -0.25 0.00 -1.18 0.00 0.00 61.69 59.31 2jyn s THR 8 Cb -0.02 -1.70 0.05 0.00 1.34 0.00 0.00 72.50 72.18 2jyn s THR 8 CO 0.03 0.33 0.56 0.00 -0.54 0.00 0.00 174.62 175.01 2jyn s ALA 9 N 1.39 -1.45 -1.08 3.99 0.00 -1.26 -5.11 121.76 118.24 2jyn s ALA 9 Ca 0.02 1.03 -0.21 0.00 0.00 0.00 0.00 51.96 52.80 2jyn s ALA 9 Cb -0.15 -0.02 0.07 0.00 0.00 0.00 0.00 23.12 23.03 2jyn s ALA 9 CO -0.10 -0.33 1.46 -0.51 0.00 0.00 0.00 175.76 176.28 2jyn s ASP 10 N -1.16 6.62 -0.24 0.00 1.11 -1.26 -4.53 116.67 117.21 2jyn s ASP 10 Ca -0.11 -1.83 -0.28 0.00 0.18 0.00 0.00 52.55 50.50 2jyn s ASP 10 Cb -0.02 -2.54 0.16 0.00 1.07 0.00 0.00 42.92 41.59 2jyn s ASP 10 CO 0.08 -1.33 1.18 0.21 1.18 0.00 0.00 175.17 176.48 2jyn s ASN 11 N 4.51 -0.23 0.56 0.27 3.84 -1.26 -5.05 114.94 117.57 2jyn s ASN 11 Ca 0.46 0.31 0.24 0.00 0.21 0.00 0.00 52.86 54.07 2jyn s ASN 11 Cb -0.00 0.27 1.55 0.00 -0.55 0.00 0.00 41.25 42.51 2jyn s ASN 11 CO -0.06 -0.17 2.17 -0.07 -2.79 0.00 0.00 177.10 176.18 2jyn h LEU 12 N 2.70 0.00 -0.15 3.21 3.38 -1.98 -0.38 115.31 122.08 2jyn h LEU 12 Ca -0.18 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 2jyn h LEU 12 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2jyn h LEU 12 CO 0.24 0.00 0.02 -0.33 0.09 0.00 0.00 178.44 178.46 2jyn h GLU 13 N 0.00 0.26 -0.55 1.13 4.39 -1.97 -1.56 114.58 116.27 2jyn h GLU 13 Ca 0.03 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.57 2jyn h GLU 13 Cb 0.13 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 2jyn h GLU 13 CO -0.00 0.45 0.01 0.22 -1.16 0.00 0.00 179.01 178.53 2jyn h ASP 14 N 0.03 0.95 0.05 1.42 1.82 -1.54 -1.75 116.42 117.40 2jyn h ASP 14 Ca 0.05 -0.30 -0.00 0.00 -0.39 0.00 0.00 57.03 56.38 2jyn h ASP 14 Cb 0.32 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.07 2jyn h ASP 14 CO 0.00 1.02 -0.02 0.40 -1.61 0.00 0.00 179.24 179.03 2jyn h ILE 15 N 0.85 0.95 0.00 2.25 1.08 -1.06 -0.82 117.51 120.77 2jyn h ILE 15 Ca 0.16 -0.01 -0.09 0.00 -0.39 0.00 0.00 64.86 64.53 2jyn h ILE 15 Cb 0.53 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 35.22 2jyn h ILE 15 CO 0.03 0.00 -0.43 -0.33 -0.69 0.00 0.00 178.15 176.73 2jyn h GLU 16 N -0.07 0.00 0.21 2.37 5.08 -1.30 -1.68 114.58 119.19 2jyn h GLU 16 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2jyn h GLU 16 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2jyn h GLU 16 CO 0.01 0.43 -0.10 -0.22 -1.00 0.00 0.00 179.01 178.13 2jyn h LYS 17 N 0.00 -0.27 -0.09 2.33 3.11 -0.96 -0.23 116.57 120.46 2jyn h LYS 17 Ca -0.00 0.02 -0.11 0.00 -2.81 0.00 0.00 60.65 57.74 2jyn h LYS 17 Cb 0.82 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.10 2jyn h LYS 17 CO 0.06 0.10 -0.44 -0.56 -2.81 0.00 0.00 179.45 175.79 2jyn h GLN 18 N -0.72 0.21 -0.08 1.90 3.07 -1.17 -2.60 115.11 115.71 2jyn h GLN 18 Ca -0.03 -0.10 -0.02 0.00 0.09 0.00 0.00 58.65 58.59 2jyn h GLN 18 Cb 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.05 2jyn h GLN 18 CO 0.05 0.62 -0.03 0.35 0.09 0.00 0.00 178.83 179.90 2jyn h PHE 19 N 0.17 0.19 -0.25 0.06 3.57 -1.36 -2.71 116.94 116.60 2jyn h PHE 19 Ca 0.01 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2jyn h PHE 19 Cb 0.86 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 2jyn h PHE 19 CO 0.01 0.52 0.16 0.00 -2.23 0.00 0.00 178.31 176.77 2jyn h ALA 20 N 0.65 0.32 0.22 2.41 0.00 -0.84 -1.09 119.26 120.93 2jyn h ALA 20 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2jyn h ALA 20 Cb 0.46 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jyn h ALA 20 CO 0.01 -0.19 -0.10 -0.24 0.00 0.00 0.00 179.25 178.73 2jyn h VAL 21 N 0.33 0.86 -0.16 0.00 3.04 -1.58 -2.71 116.25 116.03 2jyn h VAL 21 Ca 0.09 -0.49 -0.07 0.00 -1.01 0.00 0.00 66.70 65.22 2jyn h VAL 21 Cb -0.01 1.15 -0.01 0.00 -2.01 0.00 0.00 31.29 30.40 2jyn h VAL 21 CO -0.02 0.11 -0.21 1.62 -1.01 0.00 0.00 177.57 178.06 2jyn h VAL 22 N -0.54 1.22 0.12 1.51 3.04 -1.35 -1.41 116.25 118.84 2jyn h VAL 22 Ca -0.03 -1.02 -0.29 0.00 -1.01 0.00 0.00 66.70 64.36 2jyn h VAL 22 Cb 0.40 1.33 -0.00 0.00 -2.01 0.00 0.00 31.29 31.01 2jyn h VAL 22 CO 0.05 0.31 -1.36 0.00 -1.01 0.00 0.00 177.57 175.56 2jyn h ALA 23 N 1.54 0.19 -0.02 3.17 0.00 -1.25 -0.09 119.26 122.80 2jyn h ALA 23 Ca 0.04 -0.99 -0.19 0.00 0.00 0.00 0.00 54.91 53.77 2jyn h ALA 23 Cb 0.51 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2jyn h ALA 23 CO 0.03 1.06 -0.82 -0.39 0.00 0.00 0.00 179.25 179.14 2jyn h VAL 24 N 0.07 1.44 -0.29 0.00 -1.51 -1.39 -2.03 116.25 112.54 2jyn h VAL 24 Ca -0.18 -2.40 -0.01 0.00 -1.23 0.00 0.00 66.70 62.89 2jyn h VAL 24 Cb 1.99 2.32 -0.01 0.00 -2.13 0.00 0.00 31.29 33.45 2jyn h VAL 24 CO 0.18 0.71 0.15 -0.33 -1.23 0.00 0.00 177.57 177.05 2jyn h GLU 25 N 0.17 0.42 -0.74 5.19 5.08 -1.28 -2.52 114.58 120.90 2jyn h GLU 25 Ca -0.04 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 2jyn h GLU 25 Cb 1.42 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 2jyn h GLU 25 CO 0.13 0.38 0.28 0.37 -1.00 0.00 0.00 179.01 179.17 2jyn h GLN 26 N 0.34 1.12 -0.36 2.33 5.75 -0.94 0.23 115.11 123.58 2jyn h GLN 26 Ca 0.10 -0.21 -0.04 0.00 -0.15 0.00 0.00 58.65 58.34 2jyn h GLN 26 Cb 0.10 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 2jyn h GLN 26 CO -0.01 0.93 0.05 0.00 -2.65 0.00 0.00 178.83 177.15 2jyn h ALA 27 N 1.14 0.48 0.00 3.38 0.00 -1.37 -2.21 119.26 120.68 2jyn h ALA 27 Ca 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2jyn h ALA 27 Cb 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2jyn h ALA 27 CO -0.02 0.19 0.00 1.05 0.00 0.00 0.00 179.25 180.48 2jyn h GLU 28 N 0.44 0.00 -0.12 0.00 4.11 -1.21 -2.69 114.58 115.12 2jyn h GLU 28 Ca 0.11 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.49 2jyn h GLU 28 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2jyn h GLU 28 CO 0.01 0.00 -0.13 1.15 0.07 0.00 0.00 179.01 180.11 2jyn h THR 29 N 0.00 1.36 -0.36 -1.06 2.02 -0.33 -0.57 112.91 113.98 2jyn h THR 29 Ca 0.00 -1.31 -0.05 0.00 0.77 0.00 0.00 66.41 65.82 2jyn h THR 29 Cb 0.90 1.96 -0.02 0.00 -1.74 0.00 0.00 68.15 69.25 2jyn h THR 29 CO 0.00 0.38 0.02 1.88 0.37 0.00 0.00 175.52 178.17 2jyn h TYR 30 N -0.11 0.56 0.42 3.16 0.05 -1.42 0.67 116.97 120.30 2jyn h TYR 30 Ca 0.02 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.72 2jyn h TYR 30 Cb 0.66 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.24 2jyn h TYR 30 CO 0.09 0.54 -0.20 2.35 -1.05 0.00 0.00 178.16 179.89 2jyn h TRP 31 N 0.53 -0.53 0.00 4.88 2.91 -1.43 -2.59 115.95 119.73 2jyn h TRP 31 Ca 0.11 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.12 2jyn h TRP 31 Cb 0.31 0.17 -0.00 0.00 -0.51 0.00 0.00 29.16 29.13 2jyn h TRP 31 CO 0.01 -0.27 -0.03 1.57 -1.03 0.00 0.00 178.44 178.69 2jyn h LYS 32 N -0.67 0.00 0.23 2.65 5.09 -0.81 -1.47 116.57 121.58 2jyn h LYS 32 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.67 2jyn h LYS 32 Cb 0.49 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.82 2jyn h LYS 32 CO 0.10 0.03 -0.11 -0.07 -2.09 0.00 0.00 179.45 177.31 2jyn h LEU 33 N 0.00 -0.26 -0.49 7.07 3.38 -0.88 -3.07 115.31 121.07 2jyn h LEU 33 Ca -0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2jyn h LEU 33 Cb 0.62 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2jyn h LEU 33 CO 0.00 0.17 0.26 -0.07 0.09 0.00 0.00 178.44 178.89 2jyn h LEU 34 N -0.75 0.62 -1.53 1.67 4.07 -1.07 0.01 115.31 118.33 2jyn h LEU 34 Ca -0.03 -0.10 0.01 0.00 0.08 0.00 0.00 57.88 57.83 2jyn h LEU 34 Cb 0.50 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 2jyn h LEU 34 CO 0.05 0.55 0.32 0.71 -1.08 0.00 0.00 178.44 178.99 2jyn h THR 35 N 0.65 1.12 0.11 0.22 1.35 -1.30 -3.09 112.91 111.96 2jyn h THR 35 Ca 0.17 -0.22 -0.23 0.00 -0.55 0.00 0.00 66.41 65.58 2jyn h THR 35 Cb 0.08 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 66.92 2jyn h THR 35 CO -0.03 0.12 -1.14 0.28 -0.25 0.00 0.00 175.52 174.51 2jyn h SER 36 N 0.64 0.36 -3.71 5.36 0.02 -1.38 -3.45 113.55 111.39 2jyn h SER 36 Ca 0.18 -0.87 -0.22 0.00 -0.84 0.00 0.00 61.79 60.03 2jyn h SER 36 Cb -0.07 -0.12 -0.28 0.00 0.14 0.00 0.00 62.40 62.07 2jyn h SER 36 CO -0.04 1.50 -0.65 0.68 -1.14 0.00 0.00 176.83 177.19 2jyn s VAL 37 N -2.44 -0.01 0.83 2.27 -7.23 -0.04 -5.11 120.40 108.67 2jyn s VAL 37 Ca -0.19 0.03 -0.13 0.00 -1.81 0.00 0.00 61.98 59.89 2jyn s VAL 37 Cb 0.03 -0.11 0.07 0.00 0.56 0.00 0.00 36.38 36.93 2jyn s VAL 37 CO 0.77 0.01 1.01 -2.65 -0.31 0.00 0.00 175.10 173.94 2jyn n PRO 38 N 3.25 0.07 0.00 4.82 -0.02 -1.26 -3.65 135.00 138.21 2jyn n PRO 38 Ca -0.15 0.09 0.09 0.00 -2.02 0.00 0.00 63.50 61.51 2jyn n PRO 38 Cb 0.58 -2.28 0.52 0.00 -0.02 0.00 0.00 33.50 32.30 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 0.77 -0.59 0.06 -1.23 0.00 -1.26 -3.58 105.19 99.36 2jyn n GLY 39 Ca 0.12 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 0.04 1.38 1.61 0.02 -1.93 -3.21 113.55 111.45 2jyn h SER 40 Ca 0.00 -0.42 -0.10 0.00 -0.84 0.00 0.00 61.79 60.42 2jyn h SER 40 Cb 0.00 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2jyn h SER 40 CO 0.00 0.45 -0.49 0.07 -1.14 0.00 0.00 176.83 175.72 2jyn h LYS 41 N -0.38 0.00 -7.13 3.45 -0.00 -1.96 -3.46 116.57 107.10 2jyn h LYS 41 Ca 0.00 0.00 -0.47 0.00 -0.00 0.00 0.00 60.65 60.18 2jyn h LYS 41 Cb 0.44 0.00 0.03 0.00 -0.00 0.00 0.00 32.23 32.70 2jyn h LYS 41 CO 0.00 0.49 0.37 -0.51 -0.00 0.00 0.00 179.45 179.81 2jyn s LEU 42 N -6.55 3.72 0.03 7.07 1.43 -1.21 -5.09 118.68 118.08 2jyn s LEU 42 Ca 0.03 1.79 0.01 0.00 -1.03 0.00 0.00 54.13 54.94 2jyn s LEU 42 Cb 0.08 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.74 2jyn s LEU 42 CO 0.74 -0.79 -0.06 0.00 0.23 0.00 0.00 176.35 176.47 2jyn s ARG 43 N -3.62 0.45 -0.10 1.70 3.03 -1.26 -4.92 118.95 114.23 2jyn s ARG 43 Ca 0.64 -0.71 -0.17 0.00 2.03 0.00 0.00 55.73 57.52 2jyn s ARG 43 Cb -0.14 -0.14 -0.27 0.00 -1.03 0.00 0.00 34.95 33.37 2jyn s ARG 43 CO 0.26 0.01 0.58 -0.07 -1.13 0.00 0.00 175.30 174.95 2jyn h LEU 44 N 4.53 0.36 0.00 -1.89 -0.00 -1.96 -3.49 115.31 112.86 2jyn h LEU 44 Ca -0.34 -0.85 -0.22 0.00 -0.00 0.00 0.00 57.88 56.47 2jyn h LEU 44 Cb 1.20 -0.12 -0.06 0.00 -0.00 0.00 0.00 40.66 41.69 2jyn h LEU 44 CO 0.41 1.57 -0.18 0.35 -0.00 0.00 0.00 178.44 180.59 2jyn n THR 45 N -3.98 0.00 0.25 0.22 -2.24 -1.26 -5.00 114.28 102.27 2jyn n THR 45 Ca -0.24 -1.19 0.13 0.00 -2.27 0.00 0.00 64.05 60.48 2jyn n THR 45 Cb 0.87 0.64 0.25 0.00 -2.10 0.00 0.00 70.33 70.00 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 0.00 -0.33 -0.78 3.64 -2.04 -3.25 116.57 113.81 2jyn h LYS 46 Ca -0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2jyn h LYS 46 Cb 0.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2jyn h LYS 46 CO 0.19 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.56 2jyn n PHE 47 N -3.04 1.10 -0.32 1.91 3.72 -1.26 -4.72 117.46 114.85 2jyn n PHE 47 Ca 0.04 -0.81 -0.04 0.00 -0.05 0.00 0.00 57.45 56.59 2jyn n PHE 47 Cb 0.49 -0.32 0.09 0.00 -0.94 0.00 0.00 39.48 38.81 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 2.25 1.12 -0.68 4.37 2.03 -1.95 -2.30 116.42 121.26 2jyn h ASP 48 Ca 0.00 -0.11 -0.00 0.00 -0.73 0.00 0.00 57.03 56.19 2jyn h ASP 48 Cb 1.47 -0.28 -0.03 0.00 -0.83 0.00 0.00 39.33 39.65 2jyn h ASP 48 CO 0.25 0.91 0.42 -0.78 -1.03 0.00 0.00 179.24 179.00 2jyn h ASP 49 N 1.24 0.81 0.68 4.15 3.58 -1.88 -2.45 116.42 122.56 2jyn h ASP 49 Ca 0.31 -0.05 -0.15 0.00 0.42 0.00 0.00 57.03 57.55 2jyn h ASP 49 Cb 0.05 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 2jyn h ASP 49 CO -0.05 0.63 -0.72 1.05 -2.88 0.00 0.00 179.24 177.27 2jyn h GLU 50 N 0.93 0.03 -0.90 0.28 4.11 -1.86 -2.70 114.58 114.46 2jyn h GLU 50 Ca 0.25 -0.03 0.04 0.00 0.07 0.00 0.00 59.36 59.69 2jyn h GLU 50 Cb -0.04 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 2jyn h GLU 50 CO -0.05 0.74 0.58 0.82 0.07 0.00 0.00 179.01 181.17 2jyn h ILE 51 N 0.02 1.12 0.08 -1.06 2.04 -0.95 0.09 117.51 118.85 2jyn h ILE 51 Ca -0.01 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 2jyn h ILE 51 Cb 1.27 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2jyn h ILE 51 CO 0.10 0.20 -0.04 0.22 0.00 0.00 0.00 178.15 178.63 2jyn h TYR 52 N 1.10 -0.10 0.85 1.37 3.20 -1.44 -2.81 116.97 119.15 2jyn h TYR 52 Ca 0.37 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.20 2jyn h TYR 52 Cb 0.06 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.36 2jyn h TYR 52 CO -0.02 -0.01 -0.48 0.93 -1.64 0.00 0.00 178.16 176.94 2jyn h GLU 53 N -0.17 -1.19 0.00 1.82 5.08 -0.99 -0.97 114.58 118.16 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 0.14 0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2jyn h GLU 53 CO 0.02 -0.79 -0.00 -0.91 -1.00 0.00 0.00 179.01 176.32 2jyn h ASN 54 N -1.23 0.00 0.01 1.42 2.35 -1.15 -0.03 115.58 116.95 2jyn h ASN 54 Ca -0.12 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2jyn h ASN 54 Cb 0.97 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.34 2jyn h ASN 54 CO 0.15 0.00 -0.00 0.15 -1.65 0.00 0.00 177.43 176.08 2jyn h PHE 55 N 0.00 -0.01 0.00 1.19 3.57 -1.19 -2.45 116.94 118.05 2jyn h PHE 55 Ca -0.00 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 2jyn h PHE 55 Cb 0.01 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2jyn h PHE 55 CO 0.00 0.51 -0.46 0.00 -2.23 0.00 0.00 178.31 176.13 2jyn h MET 56 N -0.52 0.00 0.09 1.11 -0.00 -0.03 -0.79 114.93 114.79 2jyn h MET 56 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2jyn h MET 56 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.12 2jyn h MET 56 CO 0.00 0.46 -0.05 0.93 -0.00 0.00 0.00 176.91 178.25 2jyn h GLU 57 N 0.00 -0.12 0.00 -0.10 4.39 -1.16 -3.35 114.58 114.24 2jyn h GLU 57 Ca -0.00 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 2jyn h GLU 57 Cb 0.94 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 2jyn h GLU 57 CO 0.06 -0.08 -0.40 0.00 -1.16 0.00 0.00 179.01 177.42 2jyn h ARG 58 N -0.82 0.00 -2.95 2.33 -0.00 -1.54 -3.38 114.38 108.03 2jyn h ARG 58 Ca -0.01 0.00 -0.61 0.00 -0.50 0.00 0.00 59.98 58.85 2jyn h ARG 58 Cb 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 29.97 29.66 2jyn h ARG 58 CO 0.02 0.40 -0.69 -0.06 0.00 0.00 0.00 179.97 179.64 2jyn s PHE 59 N -3.38 2.71 -2.00 3.04 0.40 -0.30 -4.91 117.98 113.54 2jyn s PHE 59 Ca 0.02 -2.94 0.01 0.00 -0.60 0.00 0.00 56.93 53.42 2jyn s PHE 59 Cb 0.10 -2.19 0.05 0.00 0.51 0.00 0.00 43.02 41.48 2jyn s PHE 59 CO 0.70 -0.67 0.99 -0.35 0.70 0.00 0.00 175.22 176.58 2jyn n PRO 60 N 2.59 0.95 0.22 0.24 -0.04 -1.26 -3.77 135.00 133.93 2jyn n PRO 60 Ca 0.18 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.69 2jyn n PRO 60 Cb 0.37 -1.01 0.47 0.00 -0.04 0.00 0.00 33.50 33.29 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 -0.24 0.54 4.11 -1.91 -3.18 114.58 113.90 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 0.23 0.00 2.48 0.07 0.00 0.00 179.01 181.79 2jyn n TYR 62 N -4.26 0.31 0.21 2.06 4.11 -1.25 -4.70 117.16 113.65 2jyn n TYR 62 Ca -0.02 -0.24 0.12 0.00 -0.00 0.00 0.00 57.90 57.75 2jyn n TYR 62 Cb 0.28 -0.01 0.59 0.00 -0.00 0.00 0.00 39.34 40.21 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 0.89 0.16 -2.52 -3.48 2.85 -1.20 -3.82 118.16 111.04 2jyn n LYS 63 Ca 0.12 0.60 -0.37 0.00 -1.05 0.00 0.00 58.31 57.62 2jyn n LYS 63 Cb 0.44 -1.96 -0.04 0.00 -0.65 0.00 0.00 35.03 32.82 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 -4.13 6.82 0.34 -5.58 1.01 -1.26 -4.97 116.67 108.91 2jyn s ASP 64 Ca -0.01 2.09 0.03 0.00 0.71 0.00 0.00 52.55 55.36 2jyn s ASP 64 Cb 0.07 -2.59 0.62 0.00 1.01 0.00 0.00 42.92 42.02 2jyn s ASP 64 CO 0.24 -0.45 1.95 0.58 0.21 0.00 0.00 175.17 177.70 2jyn h VAL 65 N 2.34 1.17 -0.43 -1.27 2.07 -2.00 -1.30 116.25 116.84 2jyn h VAL 65 Ca -0.48 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 2jyn h VAL 65 Cb 1.22 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2jyn h VAL 65 CO 0.63 0.21 0.19 -0.33 0.02 0.00 0.00 177.57 178.29 2jyn h GLU 66 N 0.71 0.59 0.00 1.57 4.39 -1.92 -0.87 114.58 119.05 2jyn h GLU 66 Ca 0.18 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.66 2jyn h GLU 66 Cb 0.09 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 2jyn h GLU 66 CO -0.02 0.47 -0.72 0.00 -1.16 0.00 0.00 179.01 177.58 2jyn h ARG 67 N 0.60 0.00 0.18 2.33 2.47 -1.42 -2.38 114.38 116.15 2jyn h ARG 67 Ca 0.15 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.56 2jyn h ARG 67 Cb 0.08 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.43 2jyn h ARG 67 CO -0.02 0.72 -1.33 0.28 0.56 0.00 0.00 179.97 180.18 2jyn h VAL 68 N 0.00 1.35 0.00 2.04 2.07 -0.88 -3.37 116.25 117.47 2jyn h VAL 68 Ca -0.01 -2.74 -0.03 0.00 0.82 0.00 0.00 66.70 64.74 2jyn h VAL 68 Cb 1.46 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 34.14 2jyn h VAL 68 CO 0.09 0.82 -0.13 0.07 0.02 0.00 0.00 177.57 178.44 2jyn h LYS 69 N 0.16 0.09 -4.28 1.57 2.10 -1.25 -3.44 116.57 111.51 2jyn h LYS 69 Ca -0.20 -0.09 -0.19 0.00 -2.00 0.00 0.00 60.65 58.17 2jyn h LYS 69 Cb 2.03 0.03 -0.18 0.00 -0.90 0.00 0.00 32.23 33.20 2jyn h LYS 69 CO 0.24 0.87 -0.70 -1.59 -2.00 0.00 0.00 179.45 176.27 2jyn s LYS 70 N -3.05 0.52 0.12 0.07 0.00 -0.89 -0.04 119.74 116.47 2jyn s LYS 70 Ca -0.17 -0.92 0.02 0.00 0.00 0.00 0.00 55.97 54.90 2jyn s LYS 70 Cb -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 37.83 37.83 2jyn s LYS 70 CO 0.71 -0.04 0.12 1.97 0.00 0.00 0.00 175.35 178.11 2jyn n PHE 71 N 0.90 -0.40 -4.39 1.78 1.16 -0.91 -4.09 117.46 111.51 2jyn n PHE 71 Ca -0.19 -1.01 -0.25 0.00 -1.87 0.00 0.00 57.45 54.13 2jyn n PHE 71 Cb 0.57 0.13 -0.11 0.00 -1.61 0.00 0.00 39.48 38.46 2jyn n PHE 71 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 2jyn s THR 72 N -2.52 2.16 0.25 1.97 -4.23 -1.26 -4.83 115.64 107.18 2jyn s THR 72 Ca 0.14 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.70 2jyn s THR 72 Cb 0.01 -2.02 -0.03 0.00 1.34 0.00 0.00 72.50 71.79 2jyn s THR 72 CO 0.10 -0.20 1.58 1.05 -0.54 0.00 0.00 174.62 176.61 2jyn h GLU 73 N 3.19 0.23 -0.64 3.99 4.11 -1.99 -3.30 114.58 120.18 2jyn h GLU 73 Ca -0.45 -0.15 -0.03 0.00 0.07 0.00 0.00 59.36 58.81 2jyn h GLU 73 Cb 1.21 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 2jyn h GLU 73 CO 0.49 0.74 0.29 1.05 0.07 0.00 0.00 179.01 181.66 2jyn h GLU 74 N 0.18 0.92 0.00 1.06 4.11 -1.99 -1.65 114.58 117.21 2jyn h GLU 74 Ca -0.00 -0.13 0.00 0.00 0.07 0.00 0.00 59.36 59.30 2jyn h GLU 74 Cb 1.06 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2jyn h GLU 74 CO 0.09 0.72 0.00 -0.85 0.07 0.00 0.00 179.01 179.04 2jyn n GLU 75 N -4.33 0.15 -0.08 1.06 0.28 -1.24 -2.26 120.64 114.22 2jyn n GLU 75 Ca 0.06 0.09 -0.08 0.00 -0.16 0.00 0.00 57.16 57.07 2jyn n GLU 75 Cb 0.14 -1.50 -0.15 0.00 1.43 0.00 0.00 31.44 31.36 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 -1.40 0.18 0.07 -1.84 4.77 -0.67 -4.48 117.00 113.63 2jyn n LEU 76 Ca 0.08 0.08 0.12 0.00 -0.03 0.00 0.00 56.01 56.26 2jyn n LEU 76 Cb 0.22 0.39 0.06 0.00 -2.33 0.00 0.00 43.42 41.77 2jyn n LEU 76 CO 0.19 0.43 0.10 0.29 -1.33 0.00 0.00 177.39 177.07 2jyn n LYS 77 N -2.77 0.42 -2.07 3.23 5.02 -0.91 -4.50 118.16 116.58 2jyn n LYS 77 Ca -0.27 0.07 -0.35 0.00 -2.02 0.00 0.00 58.31 55.73 2jyn n LYS 77 Cb 1.09 -1.71 0.02 0.00 -0.02 0.00 0.00 35.03 34.41 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 -3.26 2.84 0.35 -0.18 -1.32 -0.96 -4.95 115.64 108.16 2jyn s THR 78 Ca 0.03 0.51 0.05 0.00 -1.21 0.00 0.00 61.69 61.07 2jyn s THR 78 Cb 0.12 -3.19 0.29 0.00 -1.51 0.00 0.00 72.50 68.22 2jyn s THR 78 CO 0.77 -0.12 1.94 0.50 -2.21 0.00 0.00 174.62 175.50 2jyn h LYS 79 N 0.92 0.79 0.00 7.08 3.64 -1.93 -1.62 116.57 125.45 2jyn h LYS 79 Ca -0.50 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.80 2jyn h LYS 79 Cb 1.28 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2jyn h LYS 79 CO 0.55 0.53 -0.14 0.93 -2.27 0.00 0.00 179.45 179.05 2jyn h GLU 80 N 0.82 0.00 -0.18 1.90 4.39 -1.94 -2.23 114.58 117.34 2jyn h GLU 80 Ca 0.34 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.93 2jyn h GLU 80 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2jyn h GLU 80 CO -0.12 0.14 -0.32 0.00 -1.16 0.00 0.00 179.01 177.55 2jyn h ALA 81 N 1.86 0.28 -0.39 3.43 0.00 -1.52 -1.62 119.26 121.31 2jyn h ALA 81 Ca -0.00 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.50 2jyn h ALA 81 Cb 0.27 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2jyn h ALA 81 CO 0.02 0.32 0.26 0.87 0.00 0.00 0.00 179.25 180.72 2jyn h LYS 82 N 0.19 0.48 0.79 0.00 6.56 -1.34 0.75 116.57 124.00 2jyn h LYS 82 Ca 0.01 -0.03 -0.04 0.00 -1.06 0.00 0.00 60.65 59.53 2jyn h LYS 82 Cb 0.91 -0.11 0.01 0.00 -0.57 0.00 0.00 32.23 32.46 2jyn h LYS 82 CO 0.07 0.32 -0.38 0.93 -2.06 0.00 0.00 179.45 178.33 2jyn h GLU 83 N 0.50 -1.03 -0.74 3.15 4.39 -1.42 -2.33 114.58 117.09 2jyn h GLU 83 Ca 0.15 0.07 0.17 0.00 0.34 0.00 0.00 59.36 60.08 2jyn h GLU 83 Cb -0.01 0.23 -0.13 0.00 -0.10 0.00 0.00 28.75 28.75 2jyn h GLU 83 CO -0.03 -0.68 -0.02 0.00 -1.16 0.00 0.00 179.01 177.12 2jyn h ARG 84 N -1.27 0.09 0.00 2.33 3.08 -0.32 -0.24 114.38 118.05 2jyn h ARG 84 Ca -0.11 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 2jyn h ARG 84 Cb 0.82 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 2jyn h ARG 84 CO 0.18 0.06 -0.18 -1.49 -1.07 0.00 0.00 179.97 177.47 2jyn h TRP 85 N 0.09 0.00 -0.02 3.04 -0.00 -0.99 -1.58 115.95 116.50 2jyn h TRP 85 Ca 0.40 0.00 -0.06 0.00 -0.00 0.00 0.00 58.89 59.23 2jyn h TRP 85 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.85 2jyn h TRP 85 CO -0.44 0.18 -0.23 -0.09 -0.00 0.00 0.00 178.44 177.86 2jyn h ARG 86 N 0.00 0.19 -0.90 0.49 2.43 -0.53 -0.93 114.38 115.13 2jyn h ARG 86 Ca -0.00 -0.18 0.09 0.00 -0.81 0.00 0.00 59.98 59.08 2jyn h ARG 86 Cb 1.06 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.59 2jyn h ARG 86 CO 0.02 0.88 0.58 0.87 -1.51 0.00 0.00 179.97 180.82 2jyn h LYS 87 N -0.44 0.88 -0.21 0.20 6.56 -1.06 -0.18 116.57 122.32 2jyn h LYS 87 Ca -0.02 -0.05 -0.12 0.00 -1.06 0.00 0.00 60.65 59.39 2jyn h LYS 87 Cb 0.95 -0.20 -0.00 0.00 -0.57 0.00 0.00 32.23 32.41 2jyn h LYS 87 CO 0.05 0.58 -0.35 0.35 -2.06 0.00 0.00 179.45 178.03 2jyn h PHE 88 N 0.91 0.76 -0.42 -1.35 3.57 -1.33 -3.25 116.94 115.83 2jyn h PHE 88 Ca 0.41 -0.26 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2jyn h PHE 88 Cb 0.38 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 2jyn h PHE 88 CO -0.00 1.00 0.23 0.35 -2.23 0.00 0.00 178.31 177.66 2jyn h PHE 89 N 0.30 0.58 0.00 0.41 3.57 -0.72 -3.08 116.94 118.00 2jyn h PHE 89 Ca 0.02 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2jyn h PHE 89 Cb 0.93 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.49 2jyn h PHE 89 CO 0.09 0.45 0.00 1.79 -2.23 0.00 0.00 178.31 178.40 2jyn h THR 90 N 0.54 0.00 -0.03 4.41 1.35 -1.07 0.33 112.91 118.44 2jyn h THR 90 Ca 0.15 -0.08 -0.14 0.00 -0.55 0.00 0.00 66.41 65.79 2jyn h THR 90 Cb 0.06 0.66 0.01 0.00 -1.73 0.00 0.00 68.15 67.15 2jyn h THR 90 CO -0.02 0.00 -0.53 0.40 -0.25 0.00 0.00 175.52 175.11 2jyn h ILE 91 N 0.00 1.42 -0.44 6.82 2.04 -1.61 -3.38 117.51 122.36 2jyn h ILE 91 Ca 0.00 -1.97 0.00 0.00 1.00 0.00 0.00 64.86 63.89 2jyn h ILE 91 Cb 0.11 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 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 -4.25 0.57 -0.03 1.37 3.72 0.76 -4.18 117.46 115.41 2jyn n PHE 92 Ca -0.10 -0.29 0.09 0.00 -0.05 0.00 0.00 57.45 57.10 2jyn n PHE 92 Cb 0.63 -0.00 0.49 0.00 -0.94 0.00 0.00 39.48 39.66 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 4.39 0.40 0.00 -1.08 4.11 -0.71 0.31 114.58 121.99 2jyn h GLU 93 Ca 0.00 -0.02 -0.08 0.00 0.07 0.00 0.00 59.36 59.33 2jyn h GLU 93 Cb 0.98 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2jyn h GLU 93 CO 0.00 0.27 -0.38 0.87 0.07 0.00 0.00 179.01 179.84 2jyn h LYS 94 N 0.42 0.00 0.00 1.06 1.79 -1.86 -3.41 116.57 114.57 2jyn h LYS 94 Ca 0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 2jyn h LYS 94 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 2jyn h LYS 94 CO -0.05 0.38 -0.01 0.36 -1.08 0.00 0.00 179.45 179.05 2jyn n LYS 95 N -3.64 0.00 -2.77 3.15 0.00 -0.84 -4.94 118.16 109.13 2jyn n LYS 95 Ca -0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 2jyn n LYS 95 Cb 0.48 -0.11 -0.02 0.00 -0.00 0.00 0.00 35.03 35.38 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 -1.19 4.40 0.13 0.58 -1.09 0.10 -4.79 121.20 119.33 2jyn s ILE 96 Ca -0.00 -1.32 0.13 0.00 -2.23 0.00 0.00 60.65 57.23 2jyn s ILE 96 Cb 0.00 -4.92 -0.00 0.00 -1.58 0.00 0.00 42.46 35.96 2jyn s ILE 96 CO 0.00 -1.71 1.54 -0.33 -1.23 0.00 0.00 174.94 173.22 2jyn h GLU 97 N 9.08 0.00 -1.54 2.79 5.08 -1.78 -3.29 114.58 124.92 2jyn h GLU 97 Ca 0.20 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.44 2jyn h GLU 97 Cb 1.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 2jyn h GLU 97 CO 1.26 0.61 0.15 -0.25 -1.00 0.00 0.00 179.01 179.77 2jyn n ASP 98 N -3.51 4.87 -0.13 1.42 9.92 -1.26 -4.46 116.55 123.40 2jyn n ASP 98 Ca -0.00 -2.53 -0.04 0.00 -0.53 0.00 0.00 54.79 51.69 2jyn n ASP 98 Cb 0.68 -0.92 0.17 0.00 -0.64 0.00 0.00 41.12 40.42 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 0.84 0.86 -0.83 1.24 -0.00 -1.95 -2.97 116.97 114.16 2jyn h TYR 99 Ca 0.11 -0.09 -0.45 0.00 -0.00 0.00 0.00 58.73 58.30 2jyn h TYR 99 Cb 1.09 -0.25 -0.26 0.00 -0.00 0.00 0.00 36.73 37.32 2jyn h TYR 99 CO 0.39 0.75 0.46 -1.71 -0.00 0.00 0.00 178.16 178.05 2jyn n ASN 100 N -4.25 3.79 0.07 0.10 5.15 -1.26 -0.28 115.26 118.58 2jyn n ASN 100 Ca 0.03 -3.68 -0.05 0.00 -0.60 0.00 0.00 54.58 50.29 2jyn n ASN 100 Cb 0.25 -0.79 0.14 0.00 -0.53 0.00 0.00 39.78 38.85 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 1.11 0.36 -0.57 1.20 3.57 -1.87 -3.46 116.94 117.29 2jyn h PHE 101 Ca 0.53 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.90 2jyn h PHE 101 Cb 2.35 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 41.02 2jyn h PHE 101 CO 1.43 0.77 0.00 0.41 -2.23 0.00 0.00 178.31 178.69 2jyn n GLY 102 N 0.14 -1.70 2.93 2.40 0.00 -1.26 -4.87 105.19 102.83 2jyn n GLY 102 Ca -0.02 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.04 0.03 -0.43 2.61 2.01 -0.52 -4.69 115.64 114.61 2jyn s THR 103 Ca 0.00 -0.27 -0.29 0.00 0.31 0.00 0.00 61.69 61.45 2jyn s THR 103 Cb 0.00 -0.12 0.01 0.00 0.01 0.00 0.00 72.50 72.40 2jyn s THR 103 CO 0.00 -0.15 1.49 -0.76 -0.69 0.00 0.00 174.62 174.51 2jyn s LEU 104 N -0.43 3.54 -0.23 4.42 1.02 -1.26 -2.41 118.68 123.32 2jyn s LEU 104 Ca -0.05 0.81 -0.13 0.00 0.02 0.00 0.00 54.13 54.78 2jyn s LEU 104 Cb -0.03 -3.44 -0.04 0.00 0.02 0.00 0.00 46.19 42.69 2jyn s LEU 104 CO -0.00 -1.54 0.27 -0.22 0.02 0.00 0.00 176.35 174.88 2jyn s LEU 105 N 5.86 4.12 0.07 1.79 2.96 -0.66 -4.83 118.68 128.00 2jyn s LEU 105 Ca 0.63 0.28 -0.31 0.00 -0.22 0.00 0.00 54.13 54.51 2jyn s LEU 105 Cb -0.14 -2.29 -0.10 0.00 0.50 0.00 0.00 46.19 44.15 2jyn s LEU 105 CO 0.31 -0.02 1.92 -2.11 -1.32 0.00 0.00 176.35 175.14 2jyn n ARG 106 N 4.47 2.83 0.18 1.98 0.00 -1.26 -1.40 116.66 123.46 2jyn n ARG 106 Ca -0.12 1.04 0.13 0.00 -0.00 0.00 0.00 57.85 58.90 2jyn n ARG 106 Cb 0.52 -2.97 0.62 0.00 -0.00 0.00 0.00 32.46 30.63 2jyn n ARG 106 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 2jyn h THR 107 N 5.21 0.00 -3.88 8.89 1.35 -1.45 -3.42 112.91 119.61 2jyn h THR 107 Ca -0.48 -0.16 -0.18 0.00 -0.55 0.00 0.00 66.41 65.03 2jyn h THR 107 Cb 1.23 0.86 -0.23 0.00 -1.73 0.00 0.00 68.15 68.28 2jyn h THR 107 CO 0.94 0.00 -0.69 -0.62 -0.25 0.00 0.00 175.52 174.90 2jyn s ASP 108 N -4.42 0.16 0.28 5.36 2.15 -1.26 -2.15 116.67 116.80 2jyn s ASP 108 Ca 0.01 -0.34 0.08 0.00 0.43 0.00 0.00 52.55 52.72 2jyn s ASP 108 Cb 0.08 0.08 0.41 0.00 -0.30 0.00 0.00 42.92 43.19 2jyn s ASP 108 CO 0.34 -0.22 1.65 0.00 -0.17 0.00 0.00 175.17 176.77 2jyn h ALA 109 N 5.04 1.04 -0.72 3.66 0.00 -0.70 -2.48 119.26 125.09 2jyn h ALA 109 Ca -0.30 -0.48 -0.18 0.00 0.00 0.00 0.00 54.91 53.95 2jyn h ALA 109 Cb 1.21 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.81 2jyn h ALA 109 CO 0.44 0.66 0.23 -1.13 0.00 0.00 0.00 179.25 179.44 2jyn n SER 110 N -3.93 5.06 -4.96 0.00 3.41 -1.26 -4.84 113.62 107.10 2jyn n SER 110 Ca -0.02 -3.17 -0.22 0.00 -0.26 0.00 0.00 58.87 55.20 2jyn n SER 110 Cb 0.54 -0.74 0.03 0.00 -0.26 0.00 0.00 64.21 63.78 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 -2.96 3.77 0.37 7.33 0.00 -0.94 -5.14 121.76 124.19 2jyn s ALA 111 Ca 0.56 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 51.36 2jyn s ALA 111 Cb 0.44 -2.16 0.04 0.00 0.00 0.00 0.00 23.12 21.44 2jyn s ALA 111 CO 0.14 -0.66 0.31 -0.85 0.00 0.00 0.00 175.76 174.70 2jyn n GLU 112 N -2.31 0.59 -3.26 0.00 0.28 -1.26 -5.00 120.64 109.68 2jyn n GLU 112 Ca 0.06 -1.00 -0.46 0.00 -0.16 0.00 0.00 57.16 55.59 2jyn n GLU 112 Cb 0.59 -0.16 -0.04 0.00 1.43 0.00 0.00 31.44 33.26 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 -0.61 3.36 0.27 -1.84 1.13 -1.26 -4.25 117.35 114.15 2jyn s TYR 113 Ca 0.22 -1.46 -0.05 0.00 -1.41 0.00 0.00 57.07 54.37 2jyn s TYR 113 Cb -0.01 -3.87 -0.01 0.00 -1.10 0.00 0.00 41.96 36.96 2jyn s TYR 113 CO 0.14 -1.08 0.37 0.20 -2.51 0.00 0.00 175.55 172.67 2jyn s GLY 114 N 3.16 1.19 0.60 5.49 0.00 -1.26 -4.95 107.32 111.55 2jyn s GLY 114 Ca 0.11 -1.37 0.32 0.00 0.00 0.00 0.00 44.72 43.78 2jyn s GLY 114 CO -0.01 -1.00 2.26 0.06 0.00 0.00 0.00 173.10 174.41 2jyn h GLN 115 N 2.30 0.00 0.00 2.90 3.07 -1.96 0.10 115.11 121.51 2jyn h GLN 115 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.45 2jyn h GLN 115 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.81 2jyn h GLN 115 CO 0.41 0.01 -1.20 1.19 0.09 0.00 0.00 178.83 179.33 2jyn n PHE 116 N -3.68 0.00 0.94 0.06 3.72 -1.26 -4.67 117.46 112.57 2jyn n PHE 116 Ca -0.03 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.48 2jyn n PHE 116 Cb 0.09 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 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 -1.67 0.01 -4.00 4.37 -2.24 -0.95 -4.80 114.28 105.00 2jyn n THR 117 Ca -0.01 -0.03 -0.19 0.00 -2.27 0.00 0.00 64.05 61.55 2jyn n THR 117 Cb 0.17 0.68 -0.16 0.00 -2.10 0.00 0.00 70.33 68.92 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 -3.03 0.35 0.01 4.28 -4.23 -0.02 -1.15 115.64 111.84 2jyn s THR 118 Ca 0.08 0.01 0.01 0.00 -1.18 0.00 0.00 61.69 60.61 2jyn s THR 118 Cb 0.16 -0.43 -0.04 0.00 1.34 0.00 0.00 72.50 73.54 2jyn s THR 118 CO 0.81 0.19 0.03 0.00 -0.54 0.00 0.00 174.62 175.12 2jyn s PHE 120 N -1.15 2.42 0.51 0.00 0.40 -1.26 -1.65 117.98 117.25 2jyn s PHE 120 Ca 0.21 0.55 0.03 0.00 -0.60 0.00 0.00 56.93 57.13 2jyn s PHE 120 Cb -0.12 -4.39 -0.01 0.00 0.51 0.00 0.00 43.02 39.01 2jyn s PHE 120 CO 0.12 -1.84 0.12 0.14 0.70 0.00 0.00 175.22 174.46 2jyn s VAL 121 N 5.55 1.41 0.55 -0.44 -7.23 -1.01 -5.00 120.40 114.23 2jyn s VAL 121 Ca 0.53 -1.85 -0.15 0.00 -1.81 0.00 0.00 61.98 58.70 2jyn s VAL 121 Cb -0.11 -2.26 -0.06 0.00 0.56 0.00 0.00 36.38 34.51 2jyn s VAL 121 CO 0.28 0.00 1.01 0.68 -0.31 0.00 0.00 175.10 176.76 2jyn s VAL 122 N -2.82 4.44 0.54 1.32 -7.23 -1.26 -1.43 120.40 113.95 2jyn s VAL 122 Ca 0.17 1.08 0.21 0.00 -1.81 0.00 0.00 61.98 61.62 2jyn s VAL 122 Cb 0.01 -3.68 0.30 0.00 0.56 0.00 0.00 36.38 33.57 2jyn s VAL 122 CO 0.10 -0.76 2.19 -0.09 -0.31 0.00 0.00 175.10 176.23 2jyn h ARG 123 N 0.55 0.00 -0.30 4.82 2.43 -0.90 -1.54 114.38 119.44 2jyn h ARG 123 Ca -0.46 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.64 2jyn h ARG 123 Cb 1.19 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 2jyn h ARG 123 CO 0.61 0.00 -0.09 1.25 -1.51 0.00 0.00 179.97 180.23 2jyn h LEU 124 N 0.00 0.60 -0.67 3.80 7.12 -1.67 -2.78 115.31 121.71 2jyn h LEU 124 Ca -0.00 -0.38 -0.07 0.00 0.13 0.00 0.00 57.88 57.56 2jyn h LEU 124 Cb 0.00 -0.16 -0.03 0.00 -0.53 0.00 0.00 40.66 39.94 2jyn h LEU 124 CO 0.00 0.84 0.13 1.56 -0.13 0.00 0.00 178.44 180.84 2jyn h GLN 125 N 0.35 1.10 0.05 1.25 4.20 -1.58 -0.92 115.11 119.56 2jyn h GLN 125 Ca 0.07 -0.28 0.03 0.00 0.06 0.00 0.00 58.65 58.53 2jyn h GLN 125 Cb 0.59 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.19 2jyn h GLN 125 CO 0.03 0.99 -0.34 0.35 -0.67 0.00 0.00 178.83 179.20 2jyn h PHE 126 N 1.03 -0.94 -0.76 2.96 3.57 -1.48 -2.72 116.94 118.60 2jyn h PHE 126 Ca 0.21 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.74 2jyn h PHE 126 Cb 0.41 0.41 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 2jyn h PHE 126 CO 0.03 -0.44 0.48 1.88 -2.23 0.00 0.00 178.31 178.03 2jyn h TYR 127 N -0.52 0.97 0.29 0.41 0.05 -1.29 -0.82 116.97 116.07 2jyn h TYR 127 Ca 0.05 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.84 2jyn h TYR 127 Cb 0.59 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.97 2jyn h TYR 127 CO -0.34 0.63 -0.45 0.00 -1.05 0.00 0.00 178.16 176.96 2jyn h ALA 128 N 1.49 -0.90 0.00 3.88 0.00 -0.86 -0.60 119.26 122.27 2jyn h ALA 128 Ca 0.28 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 2jyn h ALA 128 Cb -0.08 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2jyn h ALA 128 CO -0.06 -1.06 -0.80 0.74 0.00 0.00 0.00 179.25 178.07 2jyn h PHE 129 N -0.80 0.00 -0.10 0.00 0.04 -1.46 -3.01 116.94 111.62 2jyn h PHE 129 Ca -0.02 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.70 2jyn h PHE 129 Cb 0.75 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.90 2jyn h PHE 129 CO -0.31 0.80 -0.15 1.49 -0.60 0.00 0.00 178.31 179.54 2jyn h GLU 130 N 0.00 0.27 -0.40 1.51 4.57 -0.96 -1.83 114.58 117.73 2jyn h GLU 130 Ca -0.01 -0.16 -0.14 0.00 -1.18 0.00 0.00 59.36 57.87 2jyn h GLU 130 Cb 1.44 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.03 2jyn h GLU 130 CO 0.10 0.73 -0.29 0.82 -1.18 0.00 0.00 179.01 179.19 2jyn h ILE 131 N -0.17 1.27 -0.11 2.32 2.04 -1.22 0.91 117.51 122.54 2jyn h ILE 131 Ca 0.01 -1.45 0.01 0.00 1.00 0.00 0.00 64.86 64.42 2jyn h ILE 131 Cb 0.71 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 2jyn h ILE 131 CO 0.03 0.49 0.05 0.00 0.00 0.00 0.00 178.15 178.72 2jyn h ALA 132 N 0.92 0.13 0.00 1.87 0.00 -1.54 -1.38 119.26 119.27 2jyn h ALA 132 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2jyn h ALA 132 Cb 0.85 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2jyn h ALA 132 CO 0.08 -0.40 0.00 0.07 0.00 0.00 0.00 179.25 179.00 2jyn h ARG 133 N 0.12 0.00 -0.02 0.00 0.11 -1.24 -2.56 114.38 110.78 2jyn h ARG 133 Ca 0.05 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.05 2jyn h ARG 133 Cb 0.01 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.10 2jyn h ARG 133 CO -0.03 0.00 -0.28 -0.97 0.10 0.00 0.00 179.97 178.78 2jyn h ASN 134 N 0.00 0.28 0.55 0.08 -1.24 -0.35 0.29 115.58 115.19 2jyn h ASN 134 Ca 0.00 -0.73 -0.14 0.00 0.71 0.00 0.00 56.30 56.14 2jyn h ASN 134 Cb 0.66 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.61 2jyn h ASN 134 CO 0.00 0.97 -0.63 0.11 -1.29 0.00 0.00 177.43 176.59 2jyn h LYS 135 N -0.39 0.08 -0.00 6.67 1.57 -1.28 -2.81 116.57 120.41 2jyn h LYS 135 Ca -0.03 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2jyn h LYS 135 Cb 1.00 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.32 2jyn h LYS 135 CO 0.06 0.68 -0.47 0.72 -0.57 0.00 0.00 179.45 179.87 2jyn n HIS 136 N -3.81 0.00 -2.36 -1.35 8.25 -0.97 -4.99 115.22 109.99 2jyn n HIS 136 Ca -0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.35 2jyn n HIS 136 Cb 0.63 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.56 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 1.45 0.08 0.00 -1.41 0.00 -0.14 -4.92 105.19 100.26 2jyn n GLY 137 Ca 0.07 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.54 0.00 -0.72 0.99 4.32 0.84 -2.94 117.00 117.95 2jyn n LEU 138 Ca -0.08 0.45 0.06 0.00 -0.02 0.00 0.00 56.01 56.42 2jyn n LEU 138 Cb 0.57 -0.45 0.18 0.00 -1.62 0.00 0.00 43.42 42.10 2jyn n LEU 138 CO 0.16 -0.02 0.65 -0.46 -1.22 0.00 0.00 177.39 176.49 2jyn n ASN 139 N -1.45 3.14 0.23 -1.43 6.94 -1.17 -4.63 115.26 116.89 2jyn n ASN 139 Ca 0.08 -2.14 0.10 0.00 -0.02 0.00 0.00 54.58 52.60 2jyn n ASN 139 Cb 0.30 -0.29 0.54 0.00 -2.36 0.00 0.00 39.78 37.96 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 2.14 0.00 0.14 0.53 3.58 -1.82 -2.73 116.42 118.26 2jyn h ASP 140 Ca 0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2jyn h ASP 140 Cb 0.85 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.90 2jyn h ASP 140 CO 0.03 0.22 -0.08 4.11 -2.88 0.00 0.00 179.24 180.65 2jyn h TRP 141 N 0.00 0.00 -0.03 0.28 5.08 -1.82 -2.52 115.95 116.94 2jyn h TRP 141 Ca -0.00 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.82 2jyn h TRP 141 Cb 0.61 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.75 2jyn h TRP 141 CO 0.00 0.08 -0.65 0.82 -1.28 0.00 0.00 178.44 177.41 2jyn h ILE 142 N 0.00 1.43 0.00 0.12 2.04 -1.85 -3.03 117.51 116.23 2jyn h ILE 142 Ca -0.00 -2.15 -0.00 0.00 1.00 0.00 0.00 64.86 63.71 2jyn h ILE 142 Cb 0.17 2.14 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 2jyn h ILE 142 CO 0.01 0.62 -0.01 -0.37 0.00 0.00 0.00 178.15 178.41 2jyn h VAL 143 N 0.08 0.02 -1.38 1.67 -1.51 -1.58 -3.17 116.25 110.38 2jyn h VAL 143 Ca -0.01 -0.61 -0.59 0.00 -1.23 0.00 0.00 66.70 64.26 2jyn h VAL 143 Cb 1.16 1.60 -0.42 0.00 -2.13 0.00 0.00 31.29 31.50 2jyn h VAL 143 CO 0.09 0.01 -0.71 0.61 -1.23 0.00 0.00 177.57 176.34 2jyn n GLY 144 N 0.23 6.08 3.83 5.19 0.00 -1.15 -4.70 105.19 114.67 2jyn n GLY 144 Ca 0.01 -2.74 -0.31 0.00 0.00 0.00 0.00 46.02 42.98 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 -3.56 2.94 0.00 1.61 -1.52 -1.20 -5.01 119.66 112.92 2jyn s GLN 145 Ca 0.49 0.84 0.15 0.00 -1.95 0.00 0.00 55.36 54.89 2jyn s GLN 145 Cb 0.40 -2.00 0.87 0.00 -0.22 0.00 0.00 33.01 32.06 2jyn s GLN 145 CO -0.15 -1.07 1.29 1.63 -0.25 0.00 0.00 175.29 176.74