#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 0.61 -0.26 3.17 7.64 -1.26 -5.02 113.62 118.50 2jyn n SER 2 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 2jyn n SER 2 Cb 0.00 0.00 0.34 0.00 -1.01 0.00 0.00 64.21 63.54 2jyn n SER 2 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2jyn h THR 3 N 0.00 0.92 -2.60 0.44 2.02 -2.04 -3.39 112.91 108.25 2jyn h THR 3 Ca 0.00 -0.27 -0.54 0.00 0.77 0.00 0.00 66.41 66.37 2jyn h THR 3 Cb 0.00 0.07 0.01 0.00 -1.74 0.00 0.00 68.15 66.49 2jyn h THR 3 CO 0.00 0.14 1.08 0.72 0.37 0.00 0.00 175.52 177.83 2jyn s PHE 4 N -5.73 2.03 -0.11 3.16 -0.71 -1.26 -4.99 117.98 110.37 2jyn s PHE 4 Ca -0.10 0.13 -0.03 0.00 -1.04 0.00 0.00 56.93 55.89 2jyn s PHE 4 Cb 0.21 -3.99 0.04 0.00 -1.21 0.00 0.00 43.02 38.07 2jyn s PHE 4 CO 0.79 -4.16 0.04 1.21 -1.34 0.00 0.00 175.22 171.76 2jyn s ASN 5 N 3.17 1.89 0.08 1.98 3.04 -1.26 -4.95 114.94 118.88 2jyn s ASN 5 Ca 0.76 -0.30 -0.02 0.00 0.04 0.00 0.00 52.86 53.35 2jyn s ASN 5 Cb -0.37 -0.35 -0.04 0.00 -1.54 0.00 0.00 41.25 38.95 2jyn s ASN 5 CO 0.33 -0.26 0.02 0.00 -3.04 0.00 0.00 177.10 174.15 2jyn s ALA 6 N 2.03 0.51 -0.29 1.71 0.00 -1.26 -5.15 121.76 119.32 2jyn s ALA 6 Ca 0.03 -1.21 -0.08 0.00 0.00 0.00 0.00 51.96 50.70 2jyn s ALA 6 Cb -0.14 0.46 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 2jyn s ALA 6 CO -0.06 -0.42 0.11 -2.00 0.00 0.00 0.00 175.76 173.39 2jyn s GLU 7 N -3.95 3.31 -0.47 0.00 2.12 -1.26 -5.02 118.70 113.44 2jyn s GLU 7 Ca 0.11 -0.72 0.06 0.00 0.36 0.00 0.00 54.97 54.79 2jyn s GLU 7 Cb 0.07 -3.45 0.21 0.00 0.26 0.00 0.00 34.13 31.22 2jyn s GLU 7 CO -0.07 -0.38 0.66 -2.37 -0.54 0.00 0.00 175.26 172.56 2jyn n THR 8 N 4.93 -0.35 -3.85 -1.70 5.66 -1.26 -5.14 114.28 112.57 2jyn n THR 8 Ca -0.15 -2.04 -0.05 0.00 -3.05 0.00 0.00 64.05 58.76 2jyn n THR 8 Cb 0.49 0.17 0.02 0.00 -1.55 0.00 0.00 70.33 69.46 2jyn n THR 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jyn s ALA 9 N 0.38 -1.29 0.17 1.79 0.00 -1.26 -5.16 121.76 116.39 2jyn s ALA 9 Ca 0.32 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.78 2jyn s ALA 9 Cb 0.09 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 2jyn s ALA 9 CO -0.14 -1.04 0.13 0.34 0.00 0.00 0.00 175.76 175.05 2jyn s ASP 10 N -3.28 0.20 0.15 0.00 2.15 -1.26 -5.02 116.67 109.62 2jyn s ASP 10 Ca 0.19 -1.24 0.00 0.00 0.43 0.00 0.00 52.55 51.93 2jyn s ASP 10 Cb -0.04 0.36 0.00 0.00 -0.30 0.00 0.00 42.92 42.94 2jyn s ASP 10 CO 0.07 -0.81 0.00 -3.20 -0.17 0.00 0.00 175.17 171.06 2jyn n ASN 11 N -0.19 -5.74 0.07 -0.34 2.85 -1.26 -4.52 115.26 106.13 2jyn n ASN 11 Ca -0.02 0.70 0.04 0.00 -0.11 0.00 0.00 54.58 55.19 2jyn n ASN 11 Cb 0.64 -2.62 0.43 0.00 1.24 0.00 0.00 39.78 39.48 2jyn n ASN 11 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2jyn h LEU 12 N 1.90 0.34 -0.84 1.20 3.38 -1.99 -1.98 115.31 117.33 2jyn h LEU 12 Ca 0.00 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 2jyn h LEU 12 Cb 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2jyn h LEU 12 CO 0.00 0.33 -0.53 1.05 0.09 0.00 0.00 178.44 179.38 2jyn h GLU 13 N 0.39 0.14 -0.28 1.13 -0.00 -1.99 -0.00 114.58 113.96 2jyn h GLU 13 Ca 0.10 -0.08 -0.15 0.00 -0.00 0.00 0.00 59.36 59.22 2jyn h GLU 13 Cb 0.10 0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 28.86 2jyn h GLU 13 CO -0.01 0.63 -0.41 0.22 -0.00 0.00 0.00 179.01 179.44 2jyn h ASP 14 N 0.11 0.85 -0.53 3.06 1.82 -1.62 -2.22 116.42 117.88 2jyn h ASP 14 Ca 0.00 -0.51 -0.01 0.00 -0.39 0.00 0.00 57.03 56.12 2jyn h ASP 14 Cb 0.97 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 40.71 2jyn h ASP 14 CO 0.08 1.19 0.30 0.40 -1.61 0.00 0.00 179.24 179.60 2jyn h ILE 15 N 0.53 1.18 -0.55 2.25 1.08 -1.01 -1.09 117.51 119.89 2jyn h ILE 15 Ca 0.03 -0.44 -0.09 0.00 -0.39 0.00 0.00 64.86 63.97 2jyn h ILE 15 Cb 1.01 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 35.24 2jyn h ILE 15 CO 0.10 0.19 -0.02 -0.33 -0.69 0.00 0.00 178.15 177.39 2jyn h GLU 16 N 0.71 0.97 0.02 2.37 5.08 -1.04 -0.59 114.58 122.10 2jyn h GLU 16 Ca 0.19 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2jyn h GLU 16 Cb 0.04 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2jyn h GLU 16 CO -0.03 0.96 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.71 2jyn h LYS 17 N 0.88 -0.03 0.00 2.33 3.11 -1.10 0.10 116.57 121.87 2jyn h LYS 17 Ca 0.16 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.87 2jyn h LYS 17 Cb 0.55 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.76 2jyn h LYS 17 CO 0.03 0.14 -0.64 -0.56 -2.81 0.00 0.00 179.45 175.62 2jyn h GLN 18 N -0.19 0.00 -0.16 1.90 3.07 -1.18 -2.51 115.11 116.03 2jyn h GLN 18 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.72 2jyn h GLN 18 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.74 2jyn h GLN 18 CO 0.00 0.64 0.05 0.35 0.09 0.00 0.00 178.83 179.96 2jyn h PHE 19 N 0.00 0.26 -0.51 0.06 3.57 -1.04 -2.81 116.94 116.47 2jyn h PHE 19 Ca -0.01 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 2jyn h PHE 19 Cb 1.21 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 2jyn h PHE 19 CO 0.00 0.38 0.18 0.00 -2.23 0.00 0.00 178.31 176.63 2jyn h ALA 20 N 0.86 0.67 -0.36 2.41 0.00 -0.50 0.36 119.26 122.70 2jyn h ALA 20 Ca 0.05 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 2jyn h ALA 20 Cb 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2jyn h ALA 20 CO -0.00 0.31 -0.07 -0.24 0.00 0.00 0.00 179.25 179.25 2jyn h VAL 21 N 0.69 1.28 0.00 0.00 3.04 -1.55 -2.34 116.25 117.37 2jyn h VAL 21 Ca 0.17 -1.13 -0.02 0.00 -1.01 0.00 0.00 66.70 64.71 2jyn h VAL 21 Cb 0.24 1.28 -0.00 0.00 -2.01 0.00 0.00 31.29 30.80 2jyn h VAL 21 CO -0.01 0.37 -0.11 1.62 -1.01 0.00 0.00 177.57 178.44 2jyn h VAL 22 N 0.47 0.21 -0.06 1.51 3.04 -1.24 -2.61 116.25 117.57 2jyn h VAL 22 Ca 0.09 -1.05 -0.06 0.00 -1.01 0.00 0.00 66.70 64.67 2jyn h VAL 22 Cb 0.57 1.88 0.00 0.00 -2.01 0.00 0.00 31.29 31.74 2jyn h VAL 22 CO 0.03 0.10 -0.18 0.00 -1.01 0.00 0.00 177.57 176.51 2jyn h ALA 23 N 1.89 0.10 -0.14 3.17 0.00 -0.11 -1.68 119.26 122.49 2jyn h ALA 23 Ca -0.00 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.37 2jyn h ALA 23 Cb 0.88 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2jyn h ALA 23 CO 0.01 0.05 -0.60 -0.39 0.00 0.00 0.00 179.25 178.32 2jyn h VAL 24 N -0.28 1.34 0.04 0.00 -1.51 -1.45 -1.74 116.25 112.65 2jyn h VAL 24 Ca -0.01 -1.90 -0.26 0.00 -1.23 0.00 0.00 66.70 63.31 2jyn h VAL 24 Cb 0.81 1.89 0.01 0.00 -2.13 0.00 0.00 31.29 31.86 2jyn h VAL 24 CO 0.04 0.58 -1.07 1.05 -1.23 0.00 0.00 177.57 176.94 2jyn h GLU 25 N 0.35 0.49 -0.55 5.19 4.11 -1.53 -2.19 114.58 120.46 2jyn h GLU 25 Ca -0.00 -0.59 -0.08 0.00 0.07 0.00 0.00 59.36 58.76 2jyn h GLU 25 Cb 1.15 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 2jyn h GLU 25 CO 0.11 1.22 0.04 1.96 0.07 0.00 0.00 179.01 182.41 2jyn h GLN 26 N 0.25 0.94 -0.58 1.06 1.08 -1.34 -0.44 115.11 116.07 2jyn h GLN 26 Ca -0.12 -0.28 0.04 0.00 -1.45 0.00 0.00 58.65 56.85 2jyn h GLN 26 Cb 1.73 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 29.01 2jyn h GLN 26 CO 0.19 0.93 0.32 0.00 -0.95 0.00 0.00 178.83 179.32 2jyn h ALA 27 N 0.97 0.76 -0.00 3.87 0.00 -1.28 -0.73 119.26 122.86 2jyn h ALA 27 Ca 0.16 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 2jyn h ALA 27 Cb 0.48 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2jyn h ALA 27 CO 0.02 0.00 -0.75 1.05 0.00 0.00 0.00 179.25 179.58 2jyn h GLU 28 N 0.62 0.01 0.05 0.00 4.11 -1.33 -2.84 114.58 115.19 2jyn h GLU 28 Ca 0.25 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.67 2jyn h GLU 28 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2jyn h GLU 28 CO -0.15 0.75 -0.02 1.15 0.07 0.00 0.00 179.01 180.81 2jyn h THR 29 N 0.01 1.07 -1.01 -1.06 2.02 -0.25 0.16 112.91 113.85 2jyn h THR 29 Ca -0.01 -0.40 0.04 0.00 0.77 0.00 0.00 66.41 66.81 2jyn h THR 29 Cb 1.32 1.33 -0.06 0.00 -1.74 0.00 0.00 68.15 69.01 2jyn h THR 29 CO 0.10 0.10 0.66 1.88 0.37 0.00 0.00 175.52 178.63 2jyn h TYR 30 N -0.24 1.24 -0.38 3.16 0.05 -1.22 -0.40 116.97 119.17 2jyn h TYR 30 Ca -0.01 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 2jyn h TYR 30 Cb 0.22 -0.41 -0.02 0.00 1.01 0.00 0.00 36.73 37.52 2jyn h TYR 30 CO -0.02 0.71 0.21 2.35 -1.05 0.00 0.00 178.16 180.37 2jyn h TRP 31 N 1.28 0.53 -0.60 4.88 2.91 -1.33 -2.80 115.95 120.82 2jyn h TRP 31 Ca 0.40 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.40 2jyn h TRP 31 Cb -0.00 -0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 28.45 2jyn h TRP 31 CO -0.00 0.41 0.37 0.87 -1.03 0.00 0.00 178.44 179.06 2jyn h LYS 32 N 0.49 0.81 -0.52 2.65 1.79 0.38 -1.00 116.57 121.17 2jyn h LYS 32 Ca 0.13 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 2jyn h LYS 32 Cb 0.06 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.51 2jyn h LYS 32 CO -0.02 0.58 0.30 -0.07 -1.08 0.00 0.00 179.45 179.16 2jyn h LEU 33 N 0.81 0.64 -0.13 2.94 3.38 -1.03 -1.00 115.31 120.92 2jyn h LEU 33 Ca 0.22 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 2jyn h LEU 33 Cb -0.03 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.56 2jyn h LEU 33 CO -0.04 0.53 -0.54 -0.07 0.09 0.00 0.00 178.44 178.41 2jyn h LEU 34 N 0.70 0.70 -1.16 1.67 4.07 -1.35 -0.99 115.31 118.95 2jyn h LEU 34 Ca 0.19 -0.62 0.00 0.00 0.08 0.00 0.00 57.88 57.52 2jyn h LEU 34 Cb 0.02 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.56 2jyn h LEU 34 CO -0.03 1.21 0.00 0.71 -1.08 0.00 0.00 178.44 179.25 2jyn h THR 35 N 0.23 0.00 0.00 0.22 1.35 -1.01 -3.00 112.91 110.71 2jyn h THR 35 Ca -0.03 -0.18 -0.24 0.00 -0.55 0.00 0.00 66.41 65.41 2jyn h THR 35 Cb 1.18 0.89 -0.04 0.00 -1.73 0.00 0.00 68.15 68.45 2jyn h THR 35 CO 0.11 0.00 -1.36 -1.20 -0.25 0.00 0.00 175.52 172.82 2jyn n SER 36 N -2.40 1.87 -4.07 5.36 7.64 -0.39 -4.90 113.62 116.72 2jyn n SER 36 Ca 0.01 0.43 -0.10 0.00 1.01 0.00 0.00 58.87 60.21 2jyn n SER 36 Cb 0.17 -0.94 -0.11 0.00 -1.01 0.00 0.00 64.21 62.33 2jyn n SER 36 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2jyn s VAL 37 N -2.38 0.39 0.60 0.44 -7.23 -0.38 -5.06 120.40 106.78 2jyn s VAL 37 Ca -0.29 -1.37 0.28 0.00 -1.81 0.00 0.00 61.98 58.79 2jyn s VAL 37 Cb 0.07 -0.94 0.38 0.00 0.56 0.00 0.00 36.38 36.45 2jyn s VAL 37 CO 0.54 -0.65 1.63 -0.65 -0.31 0.00 0.00 175.10 175.66 2jyn h PRO 38 N 3.92 0.00 -0.10 4.82 0.11 -1.83 -3.33 132.00 135.58 2jyn h PRO 38 Ca -0.34 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.72 2jyn h PRO 38 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2jyn h PRO 38 CO 0.51 0.00 -0.04 0.41 -0.21 0.00 0.00 178.00 178.67 2jyn n GLY 39 N -1.59 0.56 0.17 -0.55 0.00 -1.26 -4.91 105.19 97.60 2jyn n GLY 39 Ca 0.15 -0.54 0.04 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 0.86 1.61 0.87 -1.99 -2.71 113.55 112.19 2jyn h SER 40 Ca -0.04 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 2jyn h SER 40 Cb 0.21 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2jyn h SER 40 CO 0.06 0.46 -0.15 0.07 -0.53 0.00 0.00 176.83 176.74 2jyn h LYS 41 N 0.00 0.00 -6.45 2.24 -0.00 -1.98 -3.45 116.57 106.93 2jyn h LYS 41 Ca -0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 60.65 60.11 2jyn h LYS 41 Cb 1.09 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.30 2jyn h LYS 41 CO 0.06 0.15 0.34 -0.51 -0.00 0.00 0.00 179.45 179.49 2jyn s LEU 42 N -6.69 4.42 0.08 7.07 1.43 -1.03 -5.06 118.68 118.92 2jyn s LEU 42 Ca 0.00 1.68 0.04 0.00 -1.03 0.00 0.00 54.13 54.82 2jyn s LEU 42 Cb 0.10 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 2jyn s LEU 42 CO 0.60 -0.16 -0.11 0.00 0.23 0.00 0.00 176.35 176.92 2jyn s ARG 43 N 0.53 0.79 -0.14 1.70 1.04 -1.26 -5.05 118.95 116.55 2jyn s ARG 43 Ca 0.49 -1.05 -0.12 0.00 -1.04 0.00 0.00 55.73 54.01 2jyn s ARG 43 Cb -0.22 -0.55 -0.08 0.00 -2.04 0.00 0.00 34.95 32.06 2jyn s ARG 43 CO 0.28 0.10 0.06 -0.07 -0.04 0.00 0.00 175.30 175.63 2jyn h LEU 44 N 3.87 0.00 0.00 -1.89 -0.00 -1.98 -3.49 115.31 111.81 2jyn h LEU 44 Ca -0.38 -0.22 -0.35 0.00 -0.00 0.00 0.00 57.88 56.93 2jyn h LEU 44 Cb 1.19 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.76 2jyn h LEU 44 CO 0.48 0.86 -0.33 0.35 -0.00 0.00 0.00 178.44 179.81 2jyn n THR 45 N -4.62 0.00 0.08 0.22 -2.24 -1.26 -5.02 114.28 101.44 2jyn n THR 45 Ca -0.11 -1.68 -0.10 0.00 -2.27 0.00 0.00 64.05 59.90 2jyn n THR 45 Cb 0.30 0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 69.25 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 0.19 0.00 -0.78 3.64 -2.06 -3.29 116.57 114.27 2jyn h LYS 46 Ca -0.18 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2jyn h LYS 46 Cb 0.84 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 2jyn h LYS 46 CO 0.28 1.00 0.00 1.19 -2.27 0.00 0.00 179.45 179.65 2jyn n PHE 47 N -3.61 0.00 -0.32 1.91 3.72 -1.26 -4.20 117.46 113.70 2jyn n PHE 47 Ca -0.04 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.39 2jyn n PHE 47 Cb 0.85 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 39.61 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 0.00 0.96 -0.13 4.37 2.03 -1.96 -0.36 116.42 121.33 2jyn h ASP 48 Ca 0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.28 2jyn h ASP 48 Cb 0.00 -0.20 -0.00 0.00 -0.83 0.00 0.00 39.33 38.29 2jyn h ASP 48 CO 0.00 0.63 -0.02 -0.78 -1.03 0.00 0.00 179.24 178.04 2jyn h ASP 49 N 1.09 0.24 1.53 4.15 3.58 -1.88 -2.71 116.42 122.43 2jyn h ASP 49 Ca 0.39 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2jyn h ASP 49 Cb 0.14 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2jyn h ASP 49 CO -0.14 0.53 0.00 1.05 -2.88 0.00 0.00 179.24 177.80 2jyn h GLU 50 N -0.04 0.00 -0.34 0.28 4.11 -1.77 -1.60 114.58 115.22 2jyn h GLU 50 Ca 0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.43 2jyn h GLU 50 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2jyn h GLU 50 CO 0.01 0.00 0.07 0.82 0.07 0.00 0.00 179.01 179.98 2jyn h ILE 51 N 0.00 1.23 -0.40 -1.06 2.04 -0.92 -1.13 117.51 117.27 2jyn h ILE 51 Ca 0.00 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 2jyn h ILE 51 Cb 0.76 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 2jyn h ILE 51 CO 0.00 0.26 0.21 0.22 0.00 0.00 0.00 178.15 178.85 2jyn h TYR 52 N 0.39 0.56 0.55 1.37 3.20 -1.19 -2.15 116.97 119.70 2jyn h TYR 52 Ca 0.10 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 2jyn h TYR 52 Cb 0.33 -0.18 0.01 0.00 1.54 0.00 0.00 36.73 38.42 2jyn h TYR 52 CO 0.02 0.44 -0.26 0.93 -1.64 0.00 0.00 178.16 177.65 2jyn h GLU 53 N 0.51 -0.71 0.00 1.82 5.08 -1.21 -1.84 114.58 118.24 2jyn h GLU 53 Ca 0.14 0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2jyn h GLU 53 Cb 0.07 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2jyn h GLU 53 CO -0.02 -0.44 -0.02 -0.91 -1.00 0.00 0.00 179.01 176.62 2jyn h ASN 54 N -0.82 0.00 -0.18 1.42 2.35 -1.27 0.36 115.58 117.45 2jyn h ASN 54 Ca -0.08 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.57 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 0.02 -0.28 0.15 -1.65 0.00 0.00 177.43 175.79 2jyn h PHE 55 N 0.00 0.62 0.00 1.19 3.57 -0.97 -2.11 116.94 119.25 2jyn h PHE 55 Ca -0.00 -0.21 -0.13 0.00 3.53 0.00 0.00 57.97 61.16 2jyn h PHE 55 Cb 0.18 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 2jyn h PHE 55 CO 0.00 0.92 -0.67 0.00 -2.23 0.00 0.00 178.31 176.33 2jyn h MET 56 N 0.15 0.00 0.08 1.11 -0.00 -0.44 -1.27 114.93 114.56 2jyn h MET 56 Ca 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.71 2jyn h MET 56 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.46 2jyn h MET 56 CO 0.06 0.58 -0.04 0.93 -0.00 0.00 0.00 176.91 178.45 2jyn h GLU 57 N 0.00 -0.10 0.00 -0.10 4.39 -1.07 -3.14 114.58 114.57 2jyn h GLU 57 Ca -0.02 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 2jyn h GLU 57 Cb 1.48 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.15 2jyn h GLU 57 CO 0.08 0.46 -0.22 0.00 -1.16 0.00 0.00 179.01 178.16 2jyn h ARG 58 N -0.85 0.00 -2.68 2.33 -0.00 -1.49 -3.37 114.38 108.32 2jyn h ARG 58 Ca -0.01 0.00 -0.60 0.00 -0.50 0.00 0.00 59.98 58.87 2jyn h ARG 58 Cb 0.60 0.00 -0.40 0.00 0.00 0.00 0.00 29.97 30.17 2jyn h ARG 58 CO 0.02 0.22 -0.75 1.19 0.00 0.00 0.00 179.97 180.65 2jyn n PHE 59 N -3.16 1.61 1.59 3.04 3.01 -0.48 -4.91 117.46 118.17 2jyn n PHE 59 Ca 0.03 -3.90 0.08 0.00 1.01 0.00 0.00 57.45 54.67 2jyn n PHE 59 Cb 0.61 -0.29 0.48 0.00 -0.01 0.00 0.00 39.48 40.28 2jyn n PHE 59 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2jyn n PRO 60 N 2.13 0.80 0.09 -1.08 -0.04 -1.18 -2.25 135.00 133.46 2jyn n PRO 60 Ca 0.24 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.72 2jyn n PRO 60 Cb 0.41 -1.32 -0.02 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.90 -3.35 114.58 113.97 2jyn h GLU 61 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.26 2jyn h GLU 61 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2jyn h GLU 61 CO 0.00 0.40 -1.16 -0.92 0.07 0.00 0.00 179.01 177.41 2jyn h TYR 62 N 0.00 0.00 0.00 2.06 5.03 -1.79 -3.39 116.97 118.88 2jyn h TYR 62 Ca -0.07 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.24 2jyn h TYR 62 Cb 1.45 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.73 2jyn h TYR 62 CO 0.00 0.66 0.23 1.57 -1.32 0.00 0.00 178.16 179.30 2jyn h LYS 63 N 0.00 0.00 -6.30 1.82 2.10 -1.68 -3.38 116.57 109.12 2jyn h LYS 63 Ca -0.12 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 57.91 2jyn h LYS 63 Cb 1.61 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.96 2jyn h LYS 63 CO 0.07 0.00 1.03 -0.25 -2.00 0.00 0.00 179.45 178.29 2jyn n ASP 64 N -2.74 3.30 0.31 7.07 8.00 -1.26 -4.87 116.55 126.35 2jyn n ASP 64 Ca -0.02 1.00 0.21 0.00 0.71 0.00 0.00 54.79 56.68 2jyn n ASP 64 Cb 0.28 -1.36 1.06 0.00 -0.02 0.00 0.00 41.12 41.08 2jyn n ASP 64 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2jyn h VAL 65 N 5.11 0.00 -0.41 2.53 2.07 -1.99 -0.30 116.25 123.26 2jyn h VAL 65 Ca -0.48 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.89 2jyn h VAL 65 Cb 1.27 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 2jyn h VAL 65 CO 0.94 0.00 -0.07 -0.33 0.02 0.00 0.00 177.57 178.13 2jyn h GLU 66 N 0.00 0.78 0.00 1.57 5.08 -1.89 -0.79 114.58 119.33 2jyn h GLU 66 Ca 0.00 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 2jyn h GLU 66 Cb 0.07 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2jyn h GLU 66 CO 0.00 0.89 -0.33 0.00 -1.00 0.00 0.00 179.01 178.57 2jyn h ARG 67 N 0.60 0.00 -0.04 2.33 2.47 -1.22 -2.50 114.38 116.01 2jyn h ARG 67 Ca 0.11 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.57 2jyn h ARG 67 Cb 0.58 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.92 2jyn h ARG 67 CO 0.03 0.33 -0.97 0.28 0.56 0.00 0.00 179.97 180.21 2jyn h VAL 68 N 0.00 1.28 0.07 2.04 2.07 -1.19 -3.34 116.25 117.19 2jyn h VAL 68 Ca -0.00 -2.17 -0.23 0.00 0.82 0.00 0.00 66.70 65.11 2jyn h VAL 68 Cb 0.60 2.26 0.02 0.00 -1.52 0.00 0.00 31.29 32.66 2jyn h VAL 68 CO 0.04 0.68 -0.95 0.07 0.02 0.00 0.00 177.57 177.43 2jyn h LYS 69 N 0.44 0.51 -3.64 1.57 2.10 -1.12 -3.44 116.57 112.99 2jyn h LYS 69 Ca -0.11 -0.65 -0.13 0.00 -2.00 0.00 0.00 60.65 57.76 2jyn h LYS 69 Cb 1.61 0.21 -0.19 0.00 -0.90 0.00 0.00 32.23 32.96 2jyn h LYS 69 CO 0.19 1.27 -0.50 -1.59 -2.00 0.00 0.00 179.45 176.83 2jyn s LYS 70 N -2.99 0.55 0.30 0.07 0.00 -0.95 0.03 119.74 116.76 2jyn s LYS 70 Ca -0.11 -0.57 0.07 0.00 0.00 0.00 0.00 55.97 55.35 2jyn s LYS 70 Cb 0.04 0.22 -0.03 0.00 0.00 0.00 0.00 37.83 38.07 2jyn s LYS 70 CO 0.88 -0.14 0.26 1.97 0.00 0.00 0.00 175.35 178.32 2jyn n PHE 71 N 1.09 -0.74 -4.40 1.78 1.16 -0.76 -4.18 117.46 111.42 2jyn n PHE 71 Ca -0.21 -2.55 -0.25 0.00 -1.87 0.00 0.00 57.45 52.58 2jyn n PHE 71 Cb 0.57 0.27 -0.10 0.00 -1.61 0.00 0.00 39.48 38.61 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 -3.23 2.73 0.19 1.97 2.01 -1.26 -4.69 115.64 113.36 2jyn s THR 72 Ca 0.36 -2.12 -0.04 0.00 0.31 0.00 0.00 61.69 60.21 2jyn s THR 72 Cb 0.02 -2.40 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 2jyn s THR 72 CO 0.26 -0.28 1.51 1.05 -0.69 0.00 0.00 174.62 176.47 2jyn h GLU 73 N 2.52 0.60 -0.42 4.92 -0.00 -1.98 -3.29 114.58 116.93 2jyn h GLU 73 Ca -0.43 -0.36 -0.05 0.00 -0.00 0.00 0.00 59.36 58.52 2jyn h GLU 73 Cb 1.24 0.03 -0.02 0.00 -0.00 0.00 0.00 28.75 30.00 2jyn h GLU 73 CO 0.56 0.97 0.04 1.05 -0.00 0.00 0.00 179.01 181.63 2jyn h GLU 74 N 0.47 0.65 -0.01 1.06 4.11 -2.00 -1.50 114.58 117.36 2jyn h GLU 74 Ca 0.02 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 59.31 2jyn h GLU 74 Cb 1.05 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2jyn h GLU 74 CO 0.10 0.64 0.00 -0.85 0.07 0.00 0.00 179.01 178.96 2jyn n GLU 75 N -4.27 1.08 -0.09 1.06 0.28 -1.24 -2.59 120.64 114.86 2jyn n GLU 75 Ca 0.02 -0.12 -0.10 0.00 -0.16 0.00 0.00 57.16 56.80 2jyn n GLU 75 Cb 0.24 -1.44 -0.14 0.00 1.43 0.00 0.00 31.44 31.53 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 -0.79 0.16 0.09 -1.84 4.77 -0.60 -4.54 117.00 114.25 2jyn n LEU 76 Ca 0.21 -0.01 -0.07 0.00 -0.03 0.00 0.00 56.01 56.11 2jyn n LEU 76 Cb 0.13 0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2jyn n LEU 76 CO 0.16 0.48 0.27 0.11 -1.33 0.00 0.00 177.39 177.08 2jyn h LYS 77 N 0.00 0.13 -7.28 3.23 1.57 -1.21 -3.40 116.57 109.62 2jyn h LYS 77 Ca -0.51 -0.14 -0.52 0.00 -1.87 0.00 0.00 60.65 57.61 2jyn h LYS 77 Cb 2.13 0.04 0.17 0.00 0.08 0.00 0.00 32.23 34.65 2jyn h LYS 77 CO 0.02 0.90 0.27 -0.08 -0.57 0.00 0.00 179.45 179.99 2jyn s THR 78 N -3.20 2.49 0.28 -0.16 -1.32 -1.16 -4.76 115.64 107.81 2jyn s THR 78 Ca -0.02 0.17 0.02 0.00 -1.21 0.00 0.00 61.69 60.64 2jyn s THR 78 Cb 0.11 -2.38 0.28 0.00 -1.51 0.00 0.00 72.50 68.99 2jyn s THR 78 CO 0.82 -0.20 1.81 0.50 -2.21 0.00 0.00 174.62 175.34 2jyn h LYS 79 N -1.49 0.88 -0.93 7.08 3.64 -1.95 -0.78 116.57 123.01 2jyn h LYS 79 Ca -0.44 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 58.96 2jyn h LYS 79 Cb 1.26 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 32.82 2jyn h LYS 79 CO 0.45 0.58 0.60 0.93 -2.27 0.00 0.00 179.45 179.75 2jyn h GLU 80 N 0.90 1.03 0.00 1.90 4.39 -1.95 -1.44 114.58 119.42 2jyn h GLU 80 Ca 0.51 -0.06 -0.18 0.00 0.34 0.00 0.00 59.36 59.97 2jyn h GLU 80 Cb 0.59 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 2jyn h GLU 80 CO -0.30 0.68 -1.06 0.00 -1.16 0.00 0.00 179.01 177.17 2jyn h ALA 81 N 1.50 0.60 -0.88 3.43 0.00 -1.59 -2.29 119.26 120.04 2jyn h ALA 81 Ca 0.40 -0.83 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2jyn h ALA 81 Cb 0.20 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2jyn h ALA 81 CO -0.15 1.00 0.53 0.87 0.00 0.00 0.00 179.25 181.50 2jyn h LYS 82 N 0.00 1.19 -0.29 0.00 1.79 -0.38 -0.74 116.57 118.15 2jyn h LYS 82 Ca -0.09 -0.11 -0.17 0.00 -2.18 0.00 0.00 60.65 58.10 2jyn h LYS 82 Cb 1.63 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 32.03 2jyn h LYS 82 CO 0.08 0.84 -0.50 0.93 -1.08 0.00 0.00 179.45 179.72 2jyn h GLU 83 N 1.21 0.84 -0.26 3.15 5.08 -1.34 -1.95 114.58 121.31 2jyn h GLU 83 Ca 0.31 -0.53 0.04 0.00 -1.00 0.00 0.00 59.36 58.19 2jyn h GLU 83 Cb -0.05 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 2jyn h GLU 83 CO -0.06 1.16 -0.00 0.00 -1.00 0.00 0.00 179.01 179.11 2jyn h ARG 84 N 0.62 0.07 0.00 2.33 3.08 -0.98 -0.07 114.38 119.43 2jyn h ARG 84 Ca 0.02 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 2jyn h ARG 84 Cb 1.11 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 2jyn h ARG 84 CO 0.11 0.05 -0.22 -1.49 -1.07 0.00 0.00 179.97 177.35 2jyn h TRP 85 N 0.07 0.00 0.09 3.04 -0.00 -1.21 -1.51 115.95 116.44 2jyn h TRP 85 Ca 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.01 2jyn h TRP 85 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.32 2jyn h TRP 85 CO -0.21 0.22 -0.05 -0.09 -0.00 0.00 0.00 178.44 178.32 2jyn h ARG 86 N 0.00 -0.12 0.00 0.49 2.43 -0.90 -1.90 114.38 114.38 2jyn h ARG 86 Ca -0.00 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 2jyn h ARG 86 Cb 0.96 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 2jyn h ARG 86 CO 0.03 0.40 -0.19 0.87 -1.51 0.00 0.00 179.97 179.57 2jyn h LYS 87 N -0.83 0.00 0.05 0.20 6.56 -1.03 0.02 116.57 121.54 2jyn h LYS 87 Ca -0.01 0.00 -0.27 0.00 -1.06 0.00 0.00 60.65 59.31 2jyn h LYS 87 Cb 0.58 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 32.26 2jyn h LYS 87 CO 0.02 0.19 -1.10 0.35 -2.06 0.00 0.00 179.45 176.85 2jyn h PHE 88 N 0.00 0.84 -0.50 -1.35 3.57 -1.36 -3.27 116.94 114.87 2jyn h PHE 88 Ca -0.00 -0.50 -0.04 0.00 3.53 0.00 0.00 57.97 60.97 2jyn h PHE 88 Cb 0.45 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 2jyn h PHE 88 CO 0.00 1.34 0.17 0.35 -2.23 0.00 0.00 178.31 177.93 2jyn h PHE 89 N 0.27 0.79 0.00 0.41 3.57 -0.70 -3.12 116.94 118.16 2jyn h PHE 89 Ca -0.13 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.29 2jyn h PHE 89 Cb 1.76 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.27 2jyn h PHE 89 CO 0.09 0.68 0.00 0.25 -2.23 0.00 0.00 178.31 177.10 2jyn n THR 90 N -4.52 0.99 -0.03 4.41 -2.24 -0.07 -0.18 114.28 112.65 2jyn n THR 90 Ca 0.02 0.71 -0.15 0.00 -2.27 0.00 0.00 64.05 62.36 2jyn n THR 90 Cb 0.18 -1.71 -0.12 0.00 -2.10 0.00 0.00 70.33 66.59 2jyn n THR 90 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2jyn h ILE 91 N 0.00 1.58 -0.68 2.28 2.04 -1.63 -3.39 117.51 117.71 2jyn h ILE 91 Ca 0.00 -2.00 0.00 0.00 1.00 0.00 0.00 64.86 63.86 2jyn h ILE 91 Cb 0.03 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 2jyn h ILE 91 CO 0.00 0.54 0.00 0.49 0.00 0.00 0.00 178.15 179.18 2jyn n PHE 92 N -4.52 1.05 0.29 1.37 3.72 0.75 -3.99 117.46 116.13 2jyn n PHE 92 Ca -0.10 -0.53 0.15 0.00 -0.05 0.00 0.00 57.45 56.92 2jyn n PHE 92 Cb 0.50 -0.06 0.88 0.00 -0.94 0.00 0.00 39.48 39.86 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 4.05 0.00 0.00 -1.08 4.11 -0.79 0.84 114.58 121.71 2jyn h GLU 93 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jyn h GLU 93 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2jyn h GLU 93 CO 0.05 0.03 0.00 1.63 0.07 0.00 0.00 179.01 180.79 2jyn n LYS 94 N -3.77 0.18 0.06 1.06 4.76 -1.26 -4.67 118.16 114.52 2jyn n LYS 94 Ca -0.03 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2jyn n LYS 94 Cb 0.12 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 2jyn n LYS 94 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2jyn n LYS 95 N -1.40 0.00 -2.35 1.97 0.00 -0.88 -5.07 118.16 110.44 2jyn n LYS 95 Ca 0.10 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 58.00 2jyn n LYS 95 Cb 0.28 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.28 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 -1.34 3.63 0.06 0.58 -1.09 0.24 -4.84 121.20 118.43 2jyn s ILE 96 Ca 0.00 0.43 -0.16 0.00 -2.23 0.00 0.00 60.65 58.69 2jyn s ILE 96 Cb 0.00 -4.47 -0.20 0.00 -1.58 0.00 0.00 42.46 36.20 2jyn s ILE 96 CO 0.00 -1.35 1.20 -0.33 -1.23 0.00 0.00 174.94 173.23 2jyn h GLU 97 N 11.83 0.62 0.00 2.79 4.39 -1.91 -3.31 114.58 128.99 2jyn h GLU 97 Ca -0.27 -0.60 0.00 0.00 0.34 0.00 0.00 59.36 58.83 2jyn h GLU 97 Cb 1.10 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2jyn h GLU 97 CO 1.23 1.21 0.00 -0.40 -1.16 0.00 0.00 179.01 179.89 2jyn n ASP 98 N -4.03 0.00 -0.34 1.42 5.75 -1.26 -4.38 116.55 113.70 2jyn n ASP 98 Ca -0.09 -1.18 0.22 0.00 -0.01 0.00 0.00 54.79 53.72 2jyn n ASP 98 Cb 0.75 0.00 0.46 0.00 -1.03 0.00 0.00 41.12 41.29 2jyn n ASP 98 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 2jyn h TYR 99 N 0.00 0.89 -2.78 2.11 -0.00 -1.95 -2.11 116.97 113.12 2jyn h TYR 99 Ca 0.00 0.03 -0.67 0.00 -0.00 0.00 0.00 58.73 58.09 2jyn h TYR 99 Cb 0.00 -0.25 -0.38 0.00 -0.00 0.00 0.00 36.73 36.11 2jyn h TYR 99 CO 0.00 -0.04 -0.21 -1.71 -0.00 0.00 0.00 178.16 176.20 2jyn n ASN 100 N -4.88 4.23 -0.00 0.10 5.15 -1.26 -1.54 115.26 117.06 2jyn n ASN 100 Ca 0.29 -3.31 -0.03 0.00 -0.60 0.00 0.00 54.58 50.92 2jyn n ASN 100 Cb 0.90 -0.90 -0.01 0.00 -0.53 0.00 0.00 39.78 39.24 2jyn n ASN 100 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 2jyn n PHE 101 N 1.52 0.00 0.00 1.20 7.35 -0.80 -4.99 117.46 121.75 2jyn n PHE 101 Ca 0.25 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.94 2jyn n PHE 101 Cb 0.37 -0.18 0.00 0.00 0.35 0.00 0.00 39.48 40.03 2jyn n PHE 101 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2jyn n GLY 102 N 2.76 4.08 2.95 7.13 0.00 -1.26 -4.91 105.19 115.93 2jyn n GLY 102 Ca -0.05 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 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 0.03 0.03 2.61 2.01 -0.39 -4.68 115.64 115.25 2jyn s THR 103 Ca 0.00 -0.23 -0.30 0.00 0.31 0.00 0.00 61.69 61.47 2jyn s THR 103 Cb 0.00 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.33 2jyn s THR 103 CO 0.00 -0.13 1.09 -0.22 -0.69 0.00 0.00 174.62 174.68 2jyn s LEU 104 N -0.37 4.37 -0.08 4.42 0.20 -1.26 -1.75 118.68 124.20 2jyn s LEU 104 Ca -0.04 1.83 0.01 0.00 0.69 0.00 0.00 54.13 56.62 2jyn s LEU 104 Cb -0.03 -3.57 0.02 0.00 -0.43 0.00 0.00 46.19 42.18 2jyn s LEU 104 CO -0.00 -0.37 -0.11 -0.22 -0.29 0.00 0.00 176.35 175.36 2jyn s LEU 105 N 1.09 1.52 0.06 -0.68 2.96 -0.67 -4.77 118.68 118.19 2jyn s LEU 105 Ca 0.55 -0.31 -0.31 0.00 -0.22 0.00 0.00 54.13 53.85 2jyn s LEU 105 Cb -0.25 -0.84 -0.07 0.00 0.50 0.00 0.00 46.19 45.52 2jyn s LEU 105 CO 0.28 -0.01 1.52 0.00 -1.32 0.00 0.00 176.35 176.82 2jyn s ARG 106 N 0.99 4.24 0.18 1.98 1.70 -1.26 -0.92 118.95 125.87 2jyn s ARG 106 Ca -0.08 2.18 -0.09 0.00 -0.47 0.00 0.00 55.73 57.26 2jyn s ARG 106 Cb -0.15 -3.50 0.07 0.00 -0.57 0.00 0.00 34.95 30.81 2jyn s ARG 106 CO -0.00 -0.63 1.65 1.79 -1.08 0.00 0.00 175.30 177.03 2jyn h THR 107 N 4.69 1.27 -2.54 4.99 1.35 -1.57 -3.44 112.91 117.65 2jyn h THR 107 Ca -0.41 -1.12 -0.56 0.00 -0.55 0.00 0.00 66.41 63.77 2jyn h THR 107 Cb 1.20 0.76 -0.07 0.00 -1.73 0.00 0.00 68.15 68.30 2jyn h THR 107 CO 0.91 0.41 -0.58 -0.62 -0.25 0.00 0.00 175.52 175.39 2jyn s ASP 108 N -6.54 5.31 0.10 5.36 2.15 -1.26 -1.82 116.67 119.97 2jyn s ASP 108 Ca -0.12 -0.25 -0.20 0.00 0.43 0.00 0.00 52.55 52.40 2jyn s ASP 108 Cb 0.14 -1.31 -0.09 0.00 -0.30 0.00 0.00 42.92 41.36 2jyn s ASP 108 CO 0.86 0.04 1.68 0.00 -0.17 0.00 0.00 175.17 177.57 2jyn h ALA 109 N 2.15 0.22 -0.99 3.66 0.00 -0.69 -2.97 119.26 120.64 2jyn h ALA 109 Ca -0.48 -0.07 -0.60 0.00 0.00 0.00 0.00 54.91 53.77 2jyn h ALA 109 Cb 1.22 -0.07 -0.30 0.00 0.00 0.00 0.00 17.79 18.64 2jyn h ALA 109 CO 0.61 -0.23 0.75 0.45 0.00 0.00 0.00 179.25 180.83 2jyn n SER 110 N -4.90 5.73 -2.56 0.00 2.88 -1.26 -4.98 113.62 108.53 2jyn n SER 110 Ca -0.04 -3.70 -0.03 0.00 -1.33 0.00 0.00 58.87 53.76 2jyn n SER 110 Cb 0.08 -0.90 0.03 0.00 -0.75 0.00 0.00 64.21 62.67 2jyn n SER 110 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jyn n ALA 111 N -1.03 -0.35 -3.26 -1.46 0.00 -1.12 -5.13 120.51 108.16 2jyn n ALA 111 Ca 0.61 -0.18 -0.12 0.00 0.00 0.00 0.00 53.44 53.75 2jyn n ALA 111 Cb 1.16 -0.01 -0.02 0.00 0.00 0.00 0.00 19.45 20.58 2jyn n ALA 111 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2jyn s GLU 112 N -3.28 2.03 -0.38 0.00 -1.05 -1.26 -5.05 118.70 109.70 2jyn s GLU 112 Ca 0.08 -1.61 -0.28 0.00 -0.15 0.00 0.00 54.97 53.00 2jyn s GLU 112 Cb -0.01 0.52 -0.02 0.00 -0.44 0.00 0.00 34.13 34.18 2jyn s GLU 112 CO 0.06 -0.89 1.79 1.52 0.95 0.00 0.00 175.26 178.69 2jyn s TYR 113 N -2.80 1.81 -0.20 4.83 1.13 -1.26 -4.04 117.35 116.82 2jyn s TYR 113 Ca 0.24 0.67 -0.31 0.00 -1.41 0.00 0.00 57.07 56.26 2jyn s TYR 113 Cb -0.02 -4.13 0.15 0.00 -1.10 0.00 0.00 41.96 36.86 2jyn s TYR 113 CO 0.16 -2.77 1.17 0.20 -2.51 0.00 0.00 175.55 171.80 2jyn s GLY 114 N 6.37 -0.18 0.56 5.49 0.00 -1.26 -4.98 107.32 113.33 2jyn s GLY 114 Ca 0.77 2.09 0.24 0.00 0.00 0.00 0.00 44.72 47.82 2jyn s GLY 114 CO 0.31 0.86 2.21 1.46 0.00 0.00 0.00 173.10 177.93 2jyn h GLN 115 N 2.19 0.00 0.00 2.90 4.20 -1.92 0.37 115.11 122.85 2jyn h GLN 115 Ca -0.12 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.27 2jyn h GLN 115 Cb 1.18 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.90 2jyn h GLN 115 CO 0.26 0.00 -1.96 1.19 -0.67 0.00 0.00 178.83 177.65 2jyn n PHE 116 N -4.12 0.65 1.02 2.96 3.72 -1.26 -4.41 117.46 116.01 2jyn n PHE 116 Ca -0.03 0.23 0.11 0.00 -0.05 0.00 0.00 57.45 57.72 2jyn n PHE 116 Cb 0.10 -1.12 0.06 0.00 -0.94 0.00 0.00 39.48 37.59 2jyn n PHE 116 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2jyn n THR 117 N -2.95 0.00 -3.64 4.37 -2.24 -0.74 -4.81 114.28 104.28 2jyn n THR 117 Ca -0.23 -0.03 -0.17 0.00 -2.27 0.00 0.00 64.05 61.36 2jyn n THR 117 Cb 1.09 0.69 -0.15 0.00 -2.10 0.00 0.00 70.33 69.86 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 -2.93 -0.29 -0.09 4.28 -4.23 0.12 -1.47 115.64 111.02 2jyn s THR 118 Ca 0.11 0.25 -0.05 0.00 -1.18 0.00 0.00 61.69 60.82 2jyn s THR 118 Cb 0.17 -0.39 -0.04 0.00 1.34 0.00 0.00 72.50 73.58 2jyn s THR 118 CO 0.76 0.07 0.10 0.00 -0.54 0.00 0.00 174.62 175.01 2jyn s PHE 120 N -1.02 2.68 0.19 0.00 0.08 -1.26 -1.66 117.98 116.99 2jyn s PHE 120 Ca 0.16 0.55 0.01 0.00 0.12 0.00 0.00 56.93 57.77 2jyn s PHE 120 Cb -0.12 -4.48 0.01 0.00 -0.57 0.00 0.00 43.02 37.86 2jyn s PHE 120 CO 0.05 -1.47 0.12 1.33 -0.10 0.00 0.00 175.22 175.16 2jyn n VAL 121 N 6.76 0.00 -2.86 -0.44 0.24 -0.72 -4.99 118.33 116.33 2jyn n VAL 121 Ca 0.10 -0.78 -0.19 0.00 -2.04 0.00 0.00 64.34 61.44 2jyn n VAL 121 Cb 0.49 -0.27 0.02 0.00 -1.47 0.00 0.00 33.84 32.61 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 -1.04 2.89 0.21 3.34 -7.23 -1.26 -1.26 120.40 116.04 2jyn s VAL 122 Ca 0.09 -0.86 -0.10 0.00 -1.81 0.00 0.00 61.98 59.31 2jyn s VAL 122 Cb -0.01 -3.01 0.14 0.00 0.56 0.00 0.00 36.38 34.06 2jyn s VAL 122 CO 0.06 -0.01 1.77 0.03 -0.31 0.00 0.00 175.10 176.64 2jyn h ARG 123 N 0.41 0.49 -0.55 4.82 2.47 -1.50 -1.77 114.38 118.74 2jyn h ARG 123 Ca -0.41 -0.03 -0.08 0.00 -1.26 0.00 0.00 59.98 58.20 2jyn h ARG 123 Cb 1.29 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.47 2jyn h ARG 123 CO 0.48 0.32 0.04 1.25 0.56 0.00 0.00 179.97 182.62 2jyn h LEU 124 N 0.50 0.88 -0.41 3.04 7.12 -1.65 -0.75 115.31 124.03 2jyn h LEU 124 Ca 0.30 -0.21 -0.17 0.00 0.13 0.00 0.00 57.88 57.92 2jyn h LEU 124 Cb 0.30 -0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 40.20 2jyn h LEU 124 CO -0.25 0.91 -0.57 1.56 -0.13 0.00 0.00 178.44 179.97 2jyn h GLN 125 N 0.85 0.69 0.27 1.25 4.20 -1.76 -1.12 115.11 119.49 2jyn h GLN 125 Ca 0.17 -0.44 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 2jyn h GLN 125 Cb 0.45 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 2jyn h GLN 125 CO 0.02 1.07 -0.15 0.35 -0.67 0.00 0.00 178.83 179.45 2jyn h PHE 126 N 0.52 -0.38 -0.50 2.96 3.57 -1.00 -2.67 116.94 119.45 2jyn h PHE 126 Ca 0.01 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.57 2jyn h PHE 126 Cb 1.14 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.95 2jyn h PHE 126 CO 0.06 -0.23 0.16 1.88 -2.23 0.00 0.00 178.31 177.95 2jyn h TYR 127 N -0.39 0.28 0.28 0.41 0.05 -1.11 -0.13 116.97 116.37 2jyn h TYR 127 Ca -0.03 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2jyn h TYR 127 Cb 0.31 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 37.96 2jyn h TYR 127 CO -0.07 0.08 -0.53 0.00 -1.05 0.00 0.00 178.16 176.59 2jyn h ALA 128 N 1.34 -1.07 -0.03 3.88 0.00 -1.09 -0.98 119.26 121.32 2jyn h ALA 128 Ca 0.24 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 2jyn h ALA 128 Cb 0.27 0.84 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2jyn h ALA 128 CO -0.26 -1.16 -0.72 0.74 0.00 0.00 0.00 179.25 177.85 2jyn h PHE 129 N -0.87 0.25 0.22 0.00 0.04 -1.42 -2.86 116.94 112.30 2jyn h PHE 129 Ca -0.03 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.62 2jyn h PHE 129 Cb 0.82 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.93 2jyn h PHE 129 CO -0.37 0.84 -0.10 1.49 -0.60 0.00 0.00 178.31 179.56 2jyn h GLU 130 N 0.12 -0.28 -0.35 1.51 4.57 -0.84 -2.27 114.58 117.04 2jyn h GLU 130 Ca -0.02 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 2jyn h GLU 130 Cb 1.28 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.91 2jyn h GLU 130 CO 0.11 0.10 0.07 0.82 -1.18 0.00 0.00 179.01 178.92 2jyn h ILE 131 N -0.78 1.17 0.28 2.32 2.04 -1.30 0.24 117.51 121.49 2jyn h ILE 131 Ca -0.03 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.21 2jyn h ILE 131 Cb 0.51 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 2jyn h ILE 131 CO 0.05 0.22 -0.28 0.00 0.00 0.00 0.00 178.15 178.14 2jyn h ALA 132 N 1.58 -0.59 0.00 1.87 0.00 -1.48 -1.55 119.26 119.08 2jyn h ALA 132 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2jyn h ALA 132 Cb 0.22 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2jyn h ALA 132 CO -0.00 -0.87 0.00 0.07 0.00 0.00 0.00 179.25 178.45 2jyn h ARG 133 N -0.60 0.00 -0.14 0.00 0.11 -1.13 -1.96 114.38 110.66 2jyn h ARG 133 Ca -0.01 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.03 2jyn h ARG 133 Cb 0.55 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.63 2jyn h ARG 133 CO -0.06 0.00 -0.08 -0.97 0.10 0.00 0.00 179.97 178.96 2jyn h ASN 134 N 0.00 0.31 0.24 0.08 -0.73 -0.31 0.75 115.58 115.92 2jyn h ASN 134 Ca 0.00 -0.43 -0.26 0.00 1.87 0.00 0.00 56.30 57.48 2jyn h ASN 134 Cb 0.85 -0.09 0.01 0.00 0.27 0.00 0.00 38.32 39.36 2jyn h ASN 134 CO 0.00 0.68 -1.06 0.11 -0.37 0.00 0.00 177.43 176.79 2jyn h LYS 135 N -0.05 0.52 0.00 6.67 1.57 -1.29 -3.14 116.57 120.85 2jyn h LYS 135 Ca 0.03 -0.60 -0.01 0.00 -1.87 0.00 0.00 60.65 58.19 2jyn h LYS 135 Cb 0.57 0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 2jyn h LYS 135 CO 0.02 1.23 -0.06 0.45 -0.57 0.00 0.00 179.45 180.52 2jyn h HIS 136 N 0.27 0.00 -2.18 -1.35 3.86 -1.41 -3.48 115.15 110.86 2jyn h HIS 136 Ca -0.12 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.06 2jyn h HIS 136 Cb 1.71 0.00 0.01 0.00 1.06 0.00 0.00 27.41 30.19 2jyn h HIS 136 CO 0.08 0.06 -0.06 0.41 0.86 0.00 0.00 177.93 179.29 2jyn n GLY 137 N 0.30 0.43 1.72 2.45 0.00 0.05 -4.98 105.19 105.16 2jyn n GLY 137 Ca 0.01 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.20 5.43 0.00 0.99 4.32 -0.02 -4.30 117.00 122.22 2jyn n LEU 138 Ca -0.02 -2.97 0.00 0.00 -0.02 0.00 0.00 56.01 53.00 2jyn n LEU 138 Cb 0.51 -0.67 0.00 0.00 -1.62 0.00 0.00 43.42 41.65 2jyn n LEU 138 CO 0.05 0.65 0.22 -0.46 -1.22 0.00 0.00 177.39 176.63 2jyn n ASN 139 N 0.36 0.71 0.25 -1.43 6.94 -1.26 -4.76 115.26 116.08 2jyn n ASN 139 Ca 0.27 -1.18 0.15 0.00 -0.02 0.00 0.00 54.58 53.80 2jyn n ASN 139 Cb 1.16 0.00 0.48 0.00 -2.36 0.00 0.00 39.78 39.06 2jyn n ASN 139 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 2jyn h ASP 140 N 0.00 0.00 0.57 0.53 5.19 -1.93 -2.58 116.42 118.20 2jyn h ASP 140 Ca 0.00 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.30 2jyn h ASP 140 Cb 0.40 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.90 2jyn h ASP 140 CO 0.00 0.02 -0.53 4.11 -3.12 0.00 0.00 179.24 179.72 2jyn h TRP 141 N 0.00 0.00 -0.11 4.55 5.08 -1.91 -3.08 115.95 120.47 2jyn h TRP 141 Ca -0.00 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 59.82 2jyn h TRP 141 Cb 0.71 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.86 2jyn h TRP 141 CO 0.00 0.53 -0.57 0.82 -1.28 0.00 0.00 178.44 177.94 2jyn h ILE 142 N 0.00 1.36 0.00 0.12 2.04 -1.81 -2.45 117.51 116.76 2jyn h ILE 142 Ca -0.01 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 63.97 2jyn h ILE 142 Cb 0.96 1.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 2jyn h ILE 142 CO 0.07 0.57 0.00 1.33 0.00 0.00 0.00 178.15 180.12 2jyn n VAL 143 N -3.91 0.02 -2.13 1.67 0.24 -1.18 -3.36 118.33 109.67 2jyn n VAL 143 Ca -0.03 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.24 2jyn n VAL 143 Cb 0.60 -0.52 0.09 0.00 -1.47 0.00 0.00 33.84 32.54 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 1.04 4.06 3.70 7.63 0.00 -0.94 -4.86 105.19 115.82 2jyn n GLY 144 Ca 0.19 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.78 0.44 0.00 1.61 -1.52 -1.12 -4.99 119.66 111.29 2jyn s GLN 145 Ca 0.39 0.39 0.00 0.00 -1.95 0.00 0.00 55.36 54.19 2jyn s GLN 145 Cb 0.38 -1.75 0.02 0.00 -0.22 0.00 0.00 33.01 31.44 2jyn s GLN 145 CO -0.05 -2.70 0.52 1.63 -0.25 0.00 0.00 175.29 174.44