#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 5.01 -4.82 7.83 7.64 -1.26 -5.00 113.62 123.02 2jyn n SER 2 Ca 0.00 -2.94 -0.33 0.00 1.01 0.00 0.00 58.87 56.61 2jyn n SER 2 Cb 0.00 -1.68 -0.06 0.00 -1.01 0.00 0.00 64.21 61.46 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 3.21 4.33 0.05 0.44 -1.32 -1.26 -5.09 115.64 116.01 2jyn s THR 3 Ca 0.50 1.38 -0.02 0.00 -1.21 0.00 0.00 61.69 62.33 2jyn s THR 3 Cb 0.02 -3.60 -0.03 0.00 -1.51 0.00 0.00 72.50 67.38 2jyn s THR 3 CO 0.05 -0.39 0.01 0.72 -2.21 0.00 0.00 174.62 172.79 2jyn s PHE 4 N -2.25 0.42 -0.57 9.09 -0.71 -1.26 -5.06 117.98 117.64 2jyn s PHE 4 Ca 0.62 -0.90 0.01 0.00 -1.04 0.00 0.00 56.93 55.63 2jyn s PHE 4 Cb -0.10 -0.31 0.09 0.00 -1.21 0.00 0.00 43.02 41.50 2jyn s PHE 4 CO 0.18 -0.37 0.83 0.09 -1.34 0.00 0.00 175.22 174.61 2jyn n ASN 5 N 0.33 2.18 -1.90 1.98 4.13 -1.26 -4.90 115.26 115.82 2jyn n ASN 5 Ca -0.16 -2.15 -0.00 0.00 1.68 0.00 0.00 54.58 53.95 2jyn n ASN 5 Cb 0.60 -0.53 -0.00 0.00 -1.54 0.00 0.00 39.78 38.31 2jyn n ASN 5 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jyn n ALA 6 N 0.17 -2.46 -1.77 5.41 0.00 -1.26 -4.98 120.51 115.62 2jyn n ALA 6 Ca 0.05 0.43 -0.40 0.00 0.00 0.00 0.00 53.44 53.52 2jyn n ALA 6 Cb 0.48 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 2jyn n ALA 6 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jyn s GLU 7 N -1.08 4.15 0.29 0.00 0.41 -1.26 -4.95 118.70 116.25 2jyn s GLU 7 Ca -0.02 2.23 -0.30 0.00 -0.41 0.00 0.00 54.97 56.48 2jyn s GLU 7 Cb 0.00 -2.91 -0.11 0.00 -1.78 0.00 0.00 34.13 29.33 2jyn s GLU 7 CO 0.05 -0.37 1.54 0.99 -0.49 0.00 0.00 175.26 176.98 2jyn s THR 8 N -1.19 2.20 -0.24 3.63 2.01 -1.26 -4.86 115.64 115.93 2jyn s THR 8 Ca 0.53 0.18 -0.31 0.00 0.31 0.00 0.00 61.69 62.40 2jyn s THR 8 Cb -0.40 -3.11 -0.08 0.00 0.01 0.00 0.00 72.50 68.92 2jyn s THR 8 CO 0.52 0.03 2.18 0.00 -0.69 0.00 0.00 174.62 176.66 2jyn n ALA 9 N 1.98 1.48 -0.62 7.40 0.00 -1.26 -4.88 120.51 124.62 2jyn n ALA 9 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2jyn n ALA 9 Cb 0.38 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 17.07 2jyn n ALA 9 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jyn n ASP 10 N 10.56 0.00 -4.85 0.00 2.03 -1.26 -5.08 116.55 117.94 2jyn n ASP 10 Ca 0.33 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.39 2jyn n ASP 10 Cb 0.36 -0.17 -0.03 0.00 -0.72 0.00 0.00 41.12 40.56 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 -2.08 4.68 0.25 1.67 0.01 -1.26 -5.02 114.94 113.20 2jyn s ASN 11 Ca 0.00 -1.08 0.10 0.00 -0.71 0.00 0.00 52.86 51.17 2jyn s ASN 11 Cb 0.00 -0.06 0.28 0.00 0.41 0.00 0.00 41.25 41.88 2jyn s ASN 11 CO 0.00 -0.84 1.57 -0.07 -1.51 0.00 0.00 177.10 176.24 2jyn h LEU 12 N 1.00 0.00 -1.06 0.60 3.38 -1.99 -1.43 115.31 115.82 2jyn h LEU 12 Ca -0.40 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 2jyn h LEU 12 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 2jyn h LEU 12 CO 0.61 0.67 -0.46 1.05 0.09 0.00 0.00 178.44 180.40 2jyn h GLU 13 N 0.00 0.00 -0.15 1.13 -0.00 -1.98 -1.47 114.58 112.11 2jyn h GLU 13 Ca -0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 59.36 59.18 2jyn h GLU 13 Cb 1.19 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.93 2jyn h GLU 13 CO 0.09 0.46 -0.62 0.22 -0.00 0.00 0.00 179.01 179.16 2jyn h ASP 14 N 0.00 0.59 0.12 3.06 3.58 -1.88 -0.01 116.42 121.88 2jyn h ASP 14 Ca -0.00 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.10 2jyn h ASP 14 Cb 0.84 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.71 2jyn h ASP 14 CO 0.06 1.06 -0.09 0.40 -2.88 0.00 0.00 179.24 177.79 2jyn h ILE 15 N 0.39 0.80 0.00 2.25 1.08 -0.95 -2.14 117.51 118.93 2jyn h ILE 15 Ca -0.01 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.46 2jyn h ILE 15 Cb 1.17 0.80 -0.00 0.00 -3.07 0.00 0.00 36.82 35.72 2jyn h ILE 15 CO 0.11 0.00 -0.00 -0.33 -0.69 0.00 0.00 178.15 177.24 2jyn h GLU 16 N -0.22 0.00 0.22 2.37 5.08 -1.24 -0.26 114.58 120.54 2jyn h GLU 16 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2jyn h GLU 16 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2jyn h GLU 16 CO -0.01 0.00 -0.11 -0.22 -1.00 0.00 0.00 179.01 177.68 2jyn h LYS 17 N 0.00 -0.29 -0.25 2.33 3.64 -0.75 -0.81 116.57 120.44 2jyn h LYS 17 Ca -0.00 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 2jyn h LYS 17 Cb 0.48 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2jyn h LYS 17 CO 0.00 -0.03 -0.19 1.96 -2.27 0.00 0.00 179.45 178.92 2jyn h GLN 18 N -1.01 0.45 -0.42 1.90 4.20 -1.38 -2.05 115.11 116.79 2jyn h GLN 18 Ca -0.03 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.54 2jyn h GLN 18 Cb 0.39 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 2jyn h GLN 18 CO 0.05 0.63 0.28 0.35 -0.67 0.00 0.00 178.83 179.47 2jyn h PHE 19 N 0.41 0.54 -0.19 2.96 3.57 -1.14 -2.72 116.94 120.36 2jyn h PHE 19 Ca 0.07 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.60 2jyn h PHE 19 Cb 0.57 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2jyn h PHE 19 CO 0.02 0.34 0.05 0.00 -2.23 0.00 0.00 178.31 176.49 2jyn h ALA 20 N 1.15 0.20 -0.17 2.41 0.00 -0.42 0.68 119.26 123.11 2jyn h ALA 20 Ca 0.16 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2jyn h ALA 20 Cb -0.06 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2jyn h ALA 20 CO -0.03 -0.38 -0.09 -0.24 0.00 0.00 0.00 179.25 178.50 2jyn h VAL 21 N 0.13 1.31 0.00 0.00 3.04 -1.52 -2.01 116.25 117.20 2jyn h VAL 21 Ca 0.08 -1.15 -0.10 0.00 -1.01 0.00 0.00 66.70 64.53 2jyn h VAL 21 Cb 0.07 1.70 -0.01 0.00 -2.01 0.00 0.00 31.29 31.04 2jyn h VAL 21 CO -0.10 0.34 -0.45 -0.37 -1.01 0.00 0.00 177.57 175.98 2jyn h VAL 22 N 0.04 1.28 -0.04 1.51 -1.51 -1.39 -2.48 116.25 113.67 2jyn h VAL 22 Ca 0.04 -1.58 -0.13 0.00 -1.23 0.00 0.00 66.70 63.80 2jyn h VAL 22 Cb 0.57 1.86 0.01 0.00 -2.13 0.00 0.00 31.29 31.60 2jyn h VAL 22 CO 0.03 0.45 -0.49 0.00 -1.23 0.00 0.00 177.57 176.33 2jyn h ALA 23 N 1.55 0.11 -0.10 5.19 0.00 -0.78 -2.40 119.26 122.83 2jyn h ALA 23 Ca -0.00 -0.52 -0.19 0.00 0.00 0.00 0.00 54.91 54.20 2jyn h ALA 23 Cb 0.82 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2jyn h ALA 23 CO 0.06 0.30 -0.73 -0.39 0.00 0.00 0.00 179.25 178.48 2jyn h VAL 24 N -0.11 1.36 -0.28 0.00 -1.51 -1.37 0.16 116.25 114.49 2jyn h VAL 24 Ca -0.05 -2.09 -0.17 0.00 -1.23 0.00 0.00 66.70 63.16 2jyn h VAL 24 Cb 1.17 2.07 -0.00 0.00 -2.13 0.00 0.00 31.29 32.40 2jyn h VAL 24 CO 0.10 0.64 -0.50 -0.33 -1.23 0.00 0.00 177.57 176.25 2jyn h GLU 25 N 0.33 0.78 -0.21 5.19 5.08 -1.54 -1.80 114.58 122.41 2jyn h GLU 25 Ca -0.03 -0.47 -0.15 0.00 -1.00 0.00 0.00 59.36 57.71 2jyn h GLU 25 Cb 1.32 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 2jyn h GLU 25 CO 0.13 1.10 -0.50 1.96 -1.00 0.00 0.00 179.01 180.70 2jyn h GLN 26 N 0.61 0.57 -0.39 2.33 7.50 -1.41 -1.98 115.11 122.34 2jyn h GLN 26 Ca 0.03 -0.34 -0.01 0.00 0.50 0.00 0.00 58.65 58.82 2jyn h GLN 26 Cb 1.08 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 28.62 2jyn h GLN 26 CO 0.11 0.94 0.19 0.00 -1.50 0.00 0.00 178.83 178.57 2jyn h ALA 27 N 1.00 0.51 -0.07 3.87 0.00 -0.84 -1.59 119.26 122.14 2jyn h ALA 27 Ca 0.02 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2jyn h ALA 27 Cb 1.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2jyn h ALA 27 CO 0.10 0.07 -0.51 1.05 0.00 0.00 0.00 179.25 179.95 2jyn h GLU 28 N 0.50 0.18 0.01 0.00 4.11 -1.37 -2.69 114.58 115.32 2jyn h GLU 28 Ca 0.14 -0.10 0.02 0.00 0.07 0.00 0.00 59.36 59.48 2jyn h GLU 28 Cb 0.12 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2jyn h GLU 28 CO -0.02 0.65 -0.10 1.15 0.07 0.00 0.00 179.01 180.76 2jyn h THR 29 N 0.14 0.74 -0.94 -1.06 2.02 -0.84 -0.06 112.91 112.92 2jyn h THR 29 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2jyn h THR 29 Cb 0.96 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 68.06 2jyn h THR 29 CO 0.08 0.00 0.58 1.88 0.37 0.00 0.00 175.52 178.43 2jyn h TYR 30 N -0.18 1.23 0.08 3.16 0.05 -1.23 -0.73 116.97 119.35 2jyn h TYR 30 Ca 0.04 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 2jyn h TYR 30 Cb 0.22 -0.41 0.00 0.00 1.01 0.00 0.00 36.73 37.56 2jyn h TYR 30 CO -0.16 0.81 -0.04 2.35 -1.05 0.00 0.00 178.16 180.07 2jyn h TRP 31 N 1.30 -0.10 -0.02 4.88 2.91 -1.25 -2.77 115.95 120.91 2jyn h TRP 31 Ca 0.34 -0.00 -0.15 0.00 1.13 0.00 0.00 58.89 60.21 2jyn h TRP 31 Cb -0.08 0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 28.59 2jyn h TRP 31 CO 0.00 0.02 -0.67 0.87 -1.03 0.00 0.00 178.44 177.64 2jyn h LYS 32 N -0.20 0.08 -0.36 2.65 1.79 -0.71 -1.23 116.57 118.59 2jyn h LYS 32 Ca -0.01 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 2jyn h LYS 32 Cb 0.17 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 2jyn h LYS 32 CO 0.02 0.72 0.16 -0.07 -1.08 0.00 0.00 179.45 179.19 2jyn h LEU 33 N 0.05 0.49 -0.14 2.94 3.38 -1.18 -2.72 115.31 118.14 2jyn h LEU 33 Ca -0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2jyn h LEU 33 Cb 1.19 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2jyn h LEU 33 CO 0.09 0.50 0.05 -0.07 0.09 0.00 0.00 178.44 179.10 2jyn h LEU 34 N 0.44 0.20 -2.07 1.67 3.38 -1.22 -1.67 115.31 116.03 2jyn h LEU 34 Ca 0.12 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.97 2jyn h LEU 34 Cb 0.16 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2jyn h LEU 34 CO -0.01 0.33 0.17 0.71 0.09 0.00 0.00 178.44 179.73 2jyn h THR 35 N 0.05 0.77 0.04 0.22 1.35 -1.17 -2.59 112.91 111.59 2jyn h THR 35 Ca 0.05 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.90 2jyn h THR 35 Cb 0.20 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 2jyn h THR 35 CO -0.00 0.00 -0.02 0.28 -0.25 0.00 0.00 175.52 175.53 2jyn h SER 36 N 0.00 -0.05 -4.68 5.36 0.02 -1.40 -3.41 113.55 109.39 2jyn h SER 36 Ca 0.10 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.78 2jyn h SER 36 Cb 0.45 0.01 -0.22 0.00 0.14 0.00 0.00 62.40 62.78 2jyn h SER 36 CO -0.00 0.43 -0.74 0.68 -1.14 0.00 0.00 176.83 176.06 2jyn s VAL 37 N -1.71 0.53 0.95 2.27 -7.23 -0.64 -5.04 120.40 109.53 2jyn s VAL 37 Ca -0.01 -1.00 -0.11 0.00 -1.81 0.00 0.00 61.98 59.06 2jyn s VAL 37 Cb 0.00 -0.58 0.12 0.00 0.56 0.00 0.00 36.38 36.48 2jyn s VAL 37 CO 0.02 -0.33 0.90 -2.65 -0.31 0.00 0.00 175.10 172.73 2jyn n PRO 38 N 1.61 -0.56 0.00 4.82 -0.02 -1.26 -3.84 135.00 135.75 2jyn n PRO 38 Ca -0.22 -0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.15 2jyn n PRO 38 Cb 0.55 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 0.71 -0.93 0.19 -1.23 0.00 -1.26 -3.84 105.19 98.83 2jyn n GLY 39 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 0.60 1.00 1.61 0.87 -1.91 -3.16 113.55 112.57 2jyn h SER 40 Ca 0.00 -0.32 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 2jyn h SER 40 Cb 0.01 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.80 2jyn h SER 40 CO 0.00 0.78 -1.01 0.07 -0.53 0.00 0.00 176.83 176.14 2jyn h LYS 41 N 0.41 0.00 -6.15 2.24 -0.00 -1.97 -3.45 116.57 107.65 2jyn h LYS 41 Ca 0.09 0.00 -0.60 0.00 -0.00 0.00 0.00 60.65 60.14 2jyn h LYS 41 Cb 0.48 0.00 -0.10 0.00 -0.00 0.00 0.00 32.23 32.61 2jyn h LYS 41 CO 0.02 0.02 0.58 -0.51 -0.00 0.00 0.00 179.45 179.57 2jyn s LEU 42 N -5.42 4.00 0.02 7.07 1.43 -1.19 -5.04 118.68 119.56 2jyn s LEU 42 Ca -0.01 0.15 0.07 0.00 -1.03 0.00 0.00 54.13 53.32 2jyn s LEU 42 Cb 0.09 -3.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.08 2jyn s LEU 42 CO 0.79 -1.04 -0.20 0.00 0.23 0.00 0.00 176.35 176.13 2jyn s ARG 43 N 3.74 2.07 -0.06 1.70 3.03 -1.26 -4.80 118.95 123.37 2jyn s ARG 43 Ca 0.37 -0.97 -0.27 0.00 2.03 0.00 0.00 55.73 56.90 2jyn s ARG 43 Cb -0.10 -2.15 -0.22 0.00 -1.03 0.00 0.00 34.95 31.44 2jyn s ARG 43 CO 0.26 0.55 1.10 -0.07 -1.13 0.00 0.00 175.30 176.01 2jyn h LEU 44 N 4.80 -0.00 0.00 -1.89 -0.00 -1.96 -3.48 115.31 112.78 2jyn h LEU 44 Ca -0.47 -0.65 0.00 0.00 -0.00 0.00 0.00 57.88 56.77 2jyn h LEU 44 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 2jyn h LEU 44 CO 0.47 0.65 0.00 0.35 -0.00 0.00 0.00 178.44 179.91 2jyn n THR 45 N -4.78 0.00 0.37 0.22 -2.24 -1.26 -5.01 114.28 101.58 2jyn n THR 45 Ca -0.09 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.81 2jyn n THR 45 Cb 0.32 0.00 0.19 0.00 -2.10 0.00 0.00 70.33 68.74 2jyn n THR 45 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2jyn h LYS 46 N 0.00 0.00 -0.28 -0.78 1.57 -2.03 -3.35 116.57 111.70 2jyn h LYS 46 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jyn h LYS 46 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jyn h LYS 46 CO 0.00 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.07 2jyn n PHE 47 N -2.60 0.38 0.27 -1.35 3.72 -1.26 -4.64 117.46 111.98 2jyn n PHE 47 Ca 0.03 -0.51 0.15 0.00 -0.05 0.00 0.00 57.45 57.07 2jyn n PHE 47 Cb 0.49 -0.04 0.74 0.00 -0.94 0.00 0.00 39.48 39.73 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 1.61 0.00 -0.12 4.37 2.03 -1.96 -1.82 116.42 120.52 2jyn h ASP 48 Ca 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.28 2jyn h ASP 48 Cb 0.70 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.19 2jyn h ASP 48 CO 0.00 0.09 -0.02 -0.78 -1.03 0.00 0.00 179.24 177.51 2jyn h ASP 49 N 0.00 0.23 0.69 4.15 3.58 -1.89 -2.75 116.42 120.43 2jyn h ASP 49 Ca -0.00 -0.35 -0.10 0.00 0.42 0.00 0.00 57.03 57.00 2jyn h ASP 49 Cb 0.40 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 2jyn h ASP 49 CO 0.01 0.53 -0.49 1.05 -2.88 0.00 0.00 179.24 177.46 2jyn h GLU 50 N -0.07 0.00 -0.90 0.28 4.11 -1.77 -2.44 114.58 113.79 2jyn h GLU 50 Ca 0.03 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.47 2jyn h GLU 50 Cb 0.42 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 2jyn h GLU 50 CO 0.01 0.49 0.58 0.82 0.07 0.00 0.00 179.01 180.98 2jyn h ILE 51 N 0.00 1.24 0.07 -1.06 2.04 -1.31 0.59 117.51 119.07 2jyn h ILE 51 Ca -0.00 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 2jyn h ILE 51 Cb 0.96 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2jyn h ILE 51 CO 0.06 0.23 -0.03 0.22 0.00 0.00 0.00 178.15 178.63 2jyn h TYR 52 N 1.23 -0.09 0.57 1.37 3.20 -1.23 -2.55 116.97 119.47 2jyn h TYR 52 Ca 0.33 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.17 2jyn h TYR 52 Cb -0.12 0.03 0.01 0.00 1.54 0.00 0.00 36.73 38.19 2jyn h TYR 52 CO -0.01 0.00 -0.27 0.93 -1.64 0.00 0.00 178.16 177.17 2jyn h GLU 53 N -0.16 -0.74 -0.13 1.82 5.08 -1.09 -2.62 114.58 116.74 2jyn h GLU 53 Ca -0.01 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2jyn h GLU 53 Cb 0.13 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2jyn h GLU 53 CO 0.02 -0.43 0.13 -0.91 -1.00 0.00 0.00 179.01 176.81 2jyn h ASN 54 N -1.04 0.00 -0.28 1.42 2.35 -1.02 -0.29 115.58 116.73 2jyn h ASN 54 Ca -0.08 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 2jyn h ASN 54 Cb 0.65 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 2jyn h ASN 54 CO 0.13 0.00 -0.10 0.15 -1.65 0.00 0.00 177.43 175.95 2jyn h PHE 55 N 0.00 0.64 0.03 1.19 3.57 -1.24 -1.67 116.94 119.46 2jyn h PHE 55 Ca 0.06 -0.15 -0.22 0.00 3.53 0.00 0.00 57.97 61.19 2jyn h PHE 55 Cb 0.31 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 2jyn h PHE 55 CO 0.00 0.79 -0.99 0.00 -2.23 0.00 0.00 178.31 175.88 2jyn h MET 56 N 0.31 0.28 0.08 1.11 -0.00 -1.00 -1.22 114.93 114.48 2jyn h MET 56 Ca 0.07 -0.34 -0.00 0.00 -0.00 0.00 0.00 59.70 59.42 2jyn h MET 56 Cb 0.60 0.11 0.00 0.00 -0.00 0.00 0.00 31.60 32.31 2jyn h MET 56 CO 0.03 1.07 -0.04 0.93 -0.00 0.00 0.00 176.91 178.90 2jyn h GLU 57 N 0.14 -0.10 0.12 -0.10 5.08 -1.13 -3.25 114.58 115.33 2jyn h GLU 57 Ca -0.07 0.01 -0.27 0.00 -1.00 0.00 0.00 59.36 58.02 2jyn h GLU 57 Cb 1.65 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.92 2jyn h GLU 57 CO 0.16 0.31 -1.22 0.00 -1.00 0.00 0.00 179.01 177.25 2jyn h ARG 58 N -0.54 0.25 -3.20 2.33 -0.00 -1.42 -3.41 114.38 108.38 2jyn h ARG 58 Ca -0.01 -0.43 -0.63 0.00 -0.50 0.00 0.00 59.98 58.41 2jyn h ARG 58 Cb 0.46 0.16 -0.41 0.00 0.00 0.00 0.00 29.97 30.18 2jyn h ARG 58 CO 0.02 1.20 -0.67 -0.06 0.00 0.00 0.00 179.97 180.46 2jyn s PHE 59 N -2.66 2.76 -1.52 3.04 0.08 -0.46 -4.93 117.98 114.30 2jyn s PHE 59 Ca -0.04 -2.92 0.21 0.00 0.12 0.00 0.00 56.93 54.31 2jyn s PHE 59 Cb 0.07 -2.46 1.11 0.00 -0.57 0.00 0.00 43.02 41.18 2jyn s PHE 59 CO 0.88 -0.74 1.68 -0.35 -0.10 0.00 0.00 175.22 176.59 2jyn n PRO 60 N 3.15 0.36 0.27 0.24 -0.04 -1.23 -3.44 135.00 134.32 2jyn n PRO 60 Ca 0.08 0.07 0.14 0.00 -0.04 0.00 0.00 63.50 63.75 2jyn n PRO 60 Cb 0.33 -1.50 0.79 0.00 -0.04 0.00 0.00 33.50 33.08 2jyn n PRO 60 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2jyn h GLU 61 N 0.00 0.00 0.00 0.54 4.11 -1.91 -2.97 114.58 114.35 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 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2jyn h GLU 61 CO 0.00 0.08 -0.98 2.48 0.07 0.00 0.00 179.01 180.66 2jyn n TYR 62 N -3.63 0.00 0.29 2.06 4.11 -1.22 -4.65 117.16 114.11 2jyn n TYR 62 Ca -0.02 0.00 0.19 0.00 -0.00 0.00 0.00 57.90 58.07 2jyn n TYR 62 Cb 0.20 -0.00 0.99 0.00 -0.00 0.00 0.00 39.34 40.53 2jyn n TYR 62 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.86 178.43 2jyn h LYS 63 N 0.00 0.00 -7.09 -3.48 2.10 -1.71 -3.00 116.57 103.38 2jyn h LYS 63 Ca 0.00 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 58.15 2jyn h LYS 63 Cb 0.49 0.00 0.07 0.00 -0.90 0.00 0.00 32.23 31.89 2jyn h LYS 63 CO 0.00 0.00 0.42 -0.51 -2.00 0.00 0.00 179.45 177.36 2jyn s ASP 64 N -4.87 5.76 0.21 7.07 1.11 -1.26 -4.87 116.67 119.82 2jyn s ASP 64 Ca -0.03 2.14 -0.09 0.00 0.18 0.00 0.00 52.55 54.74 2jyn s ASP 64 Cb 0.11 -2.58 0.25 0.00 1.07 0.00 0.00 42.92 41.77 2jyn s ASP 64 CO 0.36 -1.19 1.80 0.58 1.18 0.00 0.00 175.17 177.91 2jyn h VAL 65 N 1.17 0.96 -0.59 -1.27 2.07 -2.00 0.72 116.25 117.31 2jyn h VAL 65 Ca -0.50 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 66.72 2jyn h VAL 65 Cb 1.26 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2jyn h VAL 65 CO 0.57 0.12 0.08 -0.33 0.02 0.00 0.00 177.57 178.03 2jyn h GLU 66 N 0.67 0.98 0.00 1.57 5.08 -1.93 -2.61 114.58 118.35 2jyn h GLU 66 Ca 0.30 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2jyn h GLU 66 Cb 0.20 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2jyn h GLU 66 CO -0.19 0.94 0.00 0.00 -1.00 0.00 0.00 179.01 178.76 2jyn h ARG 67 N 0.88 0.00 0.05 2.33 2.47 -1.53 -1.07 114.38 117.51 2jyn h ARG 67 Ca 0.18 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.75 2jyn h ARG 67 Cb 0.44 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.78 2jyn h ARG 67 CO 0.01 0.00 -0.62 0.28 0.56 0.00 0.00 179.97 180.21 2jyn h VAL 68 N 0.00 1.48 0.03 2.04 2.07 -0.67 -3.41 116.25 117.80 2jyn h VAL 68 Ca 0.00 -2.24 -0.15 0.00 0.82 0.00 0.00 66.70 65.13 2jyn h VAL 68 Cb 0.67 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.28 2jyn h VAL 68 CO 0.00 0.64 -0.79 0.07 0.02 0.00 0.00 177.57 177.51 2jyn h LYS 69 N -0.27 0.06 -5.39 1.57 2.10 -1.35 -3.40 116.57 109.89 2jyn h LYS 69 Ca -0.09 -0.11 -0.44 0.00 -2.00 0.00 0.00 60.65 58.01 2jyn h LYS 69 Cb 1.39 0.04 -0.14 0.00 -0.90 0.00 0.00 32.23 32.61 2jyn h LYS 69 CO 0.12 1.05 -0.69 -1.59 -2.00 0.00 0.00 179.45 176.34 2jyn s LYS 70 N -2.33 1.39 0.30 0.07 0.00 -0.42 -2.32 119.74 116.42 2jyn s LYS 70 Ca -0.23 -1.67 -0.20 0.00 0.00 0.00 0.00 55.97 53.88 2jyn s LYS 70 Cb 0.02 -0.97 0.04 0.00 0.00 0.00 0.00 37.83 36.91 2jyn s LYS 70 CO 0.67 0.06 0.77 -0.59 0.00 0.00 0.00 175.35 176.27 2jyn s PHE 71 N -3.12 -0.09 0.31 1.78 -0.71 -1.03 -4.27 117.98 110.85 2jyn s PHE 71 Ca 0.26 -0.42 0.10 0.00 -1.04 0.00 0.00 56.93 55.83 2jyn s PHE 71 Cb 0.03 0.74 -0.06 0.00 -1.21 0.00 0.00 43.02 42.52 2jyn s PHE 71 CO 0.08 -1.29 -0.13 0.99 -1.34 0.00 0.00 175.22 173.54 2jyn s THR 72 N -3.34 2.20 0.15 -4.49 2.01 -1.26 -4.77 115.64 106.14 2jyn s THR 72 Ca 0.13 -2.26 0.17 0.00 0.31 0.00 0.00 61.69 60.03 2jyn s THR 72 Cb -0.05 -2.47 0.09 0.00 0.01 0.00 0.00 72.50 70.07 2jyn s THR 72 CO 0.08 -0.30 1.67 1.05 -0.69 0.00 0.00 174.62 176.42 2jyn h GLU 73 N 2.17 0.00 -0.75 4.92 4.11 -2.00 -3.35 114.58 119.68 2jyn h GLU 73 Ca -0.41 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.12 2jyn h GLU 73 Cb 1.25 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 2jyn h GLU 73 CO 0.66 0.45 0.40 0.93 0.07 0.00 0.00 179.01 181.52 2jyn h GLU 74 N 0.00 0.65 0.00 1.06 5.08 -2.01 0.97 114.58 120.33 2jyn h GLU 74 Ca -0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2jyn h GLU 74 Cb 1.01 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 2jyn h GLU 74 CO 0.06 0.43 -0.07 1.05 -1.00 0.00 0.00 179.01 179.47 2jyn h GLU 75 N 0.67 0.00 0.00 2.33 4.11 -2.01 -2.88 114.58 116.79 2jyn h GLU 75 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.80 2jyn h GLU 75 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2jyn h GLU 75 CO -0.26 0.07 -0.80 -0.07 0.07 0.00 0.00 179.01 178.03 2jyn h LEU 76 N 0.00 0.00 -0.71 3.06 3.38 -1.00 -3.38 115.31 116.65 2jyn h LEU 76 Ca -0.00 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2jyn h LEU 76 Cb 0.49 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2jyn h LEU 76 CO 0.01 0.05 -0.10 0.11 0.09 0.00 0.00 178.44 178.60 2jyn h LYS 77 N 0.00 0.00 -7.31 1.13 1.79 -1.19 -3.41 116.57 107.58 2jyn h LYS 77 Ca 0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 2jyn h LYS 77 Cb 0.89 0.00 0.12 0.00 -1.58 0.00 0.00 32.23 31.65 2jyn h LYS 77 CO 0.00 0.10 0.34 -0.08 -1.08 0.00 0.00 179.45 178.73 2jyn s THR 78 N -3.42 3.58 0.32 -0.16 -1.32 -1.26 -4.95 115.64 108.43 2jyn s THR 78 Ca 0.03 0.53 0.08 0.00 -1.21 0.00 0.00 61.69 61.13 2jyn s THR 78 Cb 0.08 -3.11 0.06 0.00 -1.51 0.00 0.00 72.50 68.02 2jyn s THR 78 CO 0.63 -0.65 1.74 0.50 -2.21 0.00 0.00 174.62 174.63 2jyn h LYS 79 N -0.88 0.18 -0.69 7.08 3.64 -1.95 -2.67 116.57 121.28 2jyn h LYS 79 Ca -0.44 -0.08 0.11 0.00 -1.27 0.00 0.00 60.65 58.97 2jyn h LYS 79 Cb 1.22 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.96 2jyn h LYS 79 CO 0.53 0.55 0.30 0.93 -2.27 0.00 0.00 179.45 179.49 2jyn h GLU 80 N 0.15 0.48 -0.13 1.90 5.08 -1.95 -2.01 114.58 118.10 2jyn h GLU 80 Ca 0.02 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 2jyn h GLU 80 Cb 0.76 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2jyn h GLU 80 CO 0.06 0.32 -0.56 0.00 -1.00 0.00 0.00 179.01 177.82 2jyn h ALA 81 N 1.46 0.78 -0.65 3.43 0.00 -1.75 0.15 119.26 122.68 2jyn h ALA 81 Ca 0.35 -0.52 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2jyn h ALA 81 Cb 0.44 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2jyn h ALA 81 CO -0.32 0.70 0.38 0.87 0.00 0.00 0.00 179.25 180.88 2jyn h LYS 82 N 0.31 0.70 -0.14 0.00 1.79 -1.16 -1.28 116.57 116.80 2jyn h LYS 82 Ca 0.00 -0.04 -0.18 0.00 -2.18 0.00 0.00 60.65 58.25 2jyn h LYS 82 Cb 1.08 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.57 2jyn h LYS 82 CO 0.10 0.46 -0.67 0.93 -1.08 0.00 0.00 179.45 179.19 2jyn h GLU 83 N 0.72 0.55 0.24 3.15 5.08 -1.13 -2.23 114.58 120.95 2jyn h GLU 83 Ca 0.28 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2jyn h GLU 83 Cb 0.11 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2jyn h GLU 83 CO -0.14 1.03 -0.11 0.00 -1.00 0.00 0.00 179.01 178.78 2jyn h ARG 84 N 0.39 -0.31 0.00 2.33 3.08 -0.51 0.11 114.38 119.48 2jyn h ARG 84 Ca -0.02 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 2jyn h ARG 84 Cb 1.24 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.36 2jyn h ARG 84 CO 0.12 -0.20 -0.30 -1.49 -1.07 0.00 0.00 179.97 177.03 2jyn h TRP 85 N -0.32 0.00 0.04 3.04 -0.00 -1.32 -0.10 115.95 117.29 2jyn h TRP 85 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 58.86 2jyn h TRP 85 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.41 2jyn h TRP 85 CO -0.06 0.30 -0.02 -0.09 -0.00 0.00 0.00 178.44 178.57 2jyn h ARG 86 N 0.00 -0.05 0.00 0.49 2.43 -1.16 -2.07 114.38 114.03 2jyn h ARG 86 Ca -0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2jyn h ARG 86 Cb 0.68 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2jyn h ARG 86 CO 0.04 0.59 -0.14 0.87 -1.51 0.00 0.00 179.97 179.82 2jyn h LYS 87 N -0.74 0.00 -0.18 0.20 6.56 -0.91 0.99 116.57 122.49 2jyn h LYS 87 Ca -0.00 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.47 2jyn h LYS 87 Cb 0.65 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.31 2jyn h LYS 87 CO 0.01 0.14 -0.35 0.35 -2.06 0.00 0.00 179.45 177.53 2jyn h PHE 88 N 0.00 0.69 -0.78 -1.35 3.57 -1.07 -3.19 116.94 114.82 2jyn h PHE 88 Ca -0.00 -0.25 -0.05 0.00 3.53 0.00 0.00 57.97 61.20 2jyn h PHE 88 Cb 0.46 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 2jyn h PHE 88 CO 0.00 0.99 0.31 0.35 -2.23 0.00 0.00 178.31 177.73 2jyn h PHE 89 N 0.20 1.19 0.00 0.41 3.57 -0.60 -3.05 116.94 118.66 2jyn h PHE 89 Ca 0.01 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2jyn h PHE 89 Cb 0.95 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.33 2jyn h PHE 89 CO 0.09 0.90 0.00 1.79 -2.23 0.00 0.00 178.31 178.86 2jyn h THR 90 N 1.14 0.00 0.07 4.41 1.35 -0.82 0.55 112.91 119.60 2jyn h THR 90 Ca 0.26 -0.08 -0.22 0.00 -0.55 0.00 0.00 66.41 65.83 2jyn h THR 90 Cb 0.22 0.69 0.02 0.00 -1.73 0.00 0.00 68.15 67.35 2jyn h THR 90 CO -0.02 0.00 -0.88 0.40 -0.25 0.00 0.00 175.52 174.76 2jyn h ILE 91 N 0.00 1.39 -0.57 6.82 2.04 -1.58 -3.38 117.51 122.22 2jyn h ILE 91 Ca 0.00 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 63.55 2jyn h ILE 91 Cb 0.11 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 2jyn h ILE 91 CO 0.00 0.68 0.00 0.49 0.00 0.00 0.00 178.15 179.32 2jyn n PHE 92 N -4.04 0.76 0.23 1.37 3.72 0.90 -3.93 117.46 116.46 2jyn n PHE 92 Ca -0.12 -0.40 0.08 0.00 -0.05 0.00 0.00 57.45 56.96 2jyn n PHE 92 Cb 0.82 -0.00 0.55 0.00 -0.94 0.00 0.00 39.48 39.90 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 4.22 0.00 0.00 -1.08 4.11 -0.30 0.34 114.58 121.87 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 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2jyn h GLU 93 CO 0.00 0.22 0.00 0.87 0.07 0.00 0.00 179.01 180.17 2jyn h LYS 94 N 0.00 0.00 0.00 1.06 1.79 -1.84 -3.42 116.57 114.15 2jyn h LYS 94 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jyn h LYS 94 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 2jyn h LYS 94 CO 0.03 0.00 0.00 0.36 -1.08 0.00 0.00 179.45 178.76 2jyn n LYS 95 N -3.05 0.00 -2.55 3.15 0.00 -1.02 -5.04 118.16 109.65 2jyn n LYS 95 Ca 0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.91 2jyn n LYS 95 Cb 0.31 -0.04 -0.03 0.00 -0.00 0.00 0.00 35.03 35.27 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 -1.35 3.75 -0.17 0.58 -1.09 0.12 -4.82 121.20 118.22 2jyn s ILE 96 Ca 0.00 0.19 0.17 0.00 -2.23 0.00 0.00 60.65 58.79 2jyn s ILE 96 Cb 0.00 -4.94 0.13 0.00 -1.58 0.00 0.00 42.46 36.07 2jyn s ILE 96 CO 0.00 -1.87 1.52 -0.33 -1.23 0.00 0.00 174.94 173.03 2jyn h GLU 97 N 10.03 0.00 -0.91 2.79 5.08 -1.87 -3.34 114.58 126.36 2jyn h GLU 97 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2jyn h GLU 97 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2jyn h GLU 97 CO 1.31 0.39 0.00 -0.25 -1.00 0.00 0.00 179.01 179.45 2jyn n ASP 98 N -3.23 1.03 -0.12 1.42 9.92 -1.26 -4.30 116.55 120.01 2jyn n ASP 98 Ca 0.02 -1.78 -0.04 0.00 -0.53 0.00 0.00 54.79 52.46 2jyn n ASP 98 Cb 0.66 -0.45 0.16 0.00 -0.64 0.00 0.00 41.12 40.86 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 0.12 0.86 -0.39 1.24 -0.00 -1.93 -2.84 116.97 114.02 2jyn h TYR 99 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 58.73 58.62 2jyn h TYR 99 Cb 0.48 -0.24 0.00 0.00 -0.00 0.00 0.00 36.73 36.97 2jyn h TYR 99 CO 0.00 0.78 0.00 -1.71 -0.00 0.00 0.00 178.16 177.23 2jyn n ASN 100 N -4.22 4.66 0.05 0.10 5.15 -1.26 -0.20 115.26 119.54 2jyn n ASN 100 Ca 0.03 -2.97 -0.00 0.00 -0.60 0.00 0.00 54.58 51.03 2jyn n ASN 100 Cb 0.29 -0.60 0.29 0.00 -0.53 0.00 0.00 39.78 39.23 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 2.73 0.43 -0.92 1.20 3.57 -1.80 -3.46 116.94 118.70 2jyn h PHE 101 Ca 0.00 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2jyn h PHE 101 Cb 1.66 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.29 2jyn h PHE 101 CO 0.75 0.54 0.00 0.41 -2.23 0.00 0.00 178.31 177.77 2jyn n GLY 102 N -0.67 -2.44 3.00 2.40 0.00 -1.26 -4.90 105.19 101.31 2jyn n GLY 102 Ca 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 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 0.10 -0.43 2.61 2.01 -0.63 -4.66 115.64 114.65 2jyn s THR 103 Ca 0.00 -0.85 -0.28 0.00 0.31 0.00 0.00 61.69 60.87 2jyn s THR 103 Cb 0.00 -0.28 -0.00 0.00 0.01 0.00 0.00 72.50 72.22 2jyn s THR 103 CO 0.00 -0.47 1.61 -0.76 -0.69 0.00 0.00 174.62 174.31 2jyn s LEU 104 N -1.41 3.49 -0.18 4.42 1.02 -1.26 -2.50 118.68 122.26 2jyn s LEU 104 Ca -0.15 0.87 -0.13 0.00 0.02 0.00 0.00 54.13 54.73 2jyn s LEU 104 Cb -0.09 -3.34 -0.05 0.00 0.02 0.00 0.00 46.19 42.73 2jyn s LEU 104 CO -0.01 -1.69 0.28 -0.22 0.02 0.00 0.00 176.35 174.73 2jyn s LEU 105 N 6.51 4.21 0.13 1.79 2.96 -0.71 -4.89 118.68 128.67 2jyn s LEU 105 Ca 0.68 0.43 -0.31 0.00 -0.22 0.00 0.00 54.13 54.70 2jyn s LEU 105 Cb -0.16 -2.34 -0.09 0.00 0.50 0.00 0.00 46.19 44.10 2jyn s LEU 105 CO 0.31 0.07 1.57 -0.13 -1.32 0.00 0.00 176.35 176.84 2jyn s ARG 106 N 0.69 4.22 0.00 1.98 0.52 -1.26 -1.57 118.95 123.53 2jyn s ARG 106 Ca 0.15 2.31 0.19 0.00 -0.52 0.00 0.00 55.73 57.86 2jyn s ARG 106 Cb -0.13 -3.31 1.15 0.00 0.52 0.00 0.00 34.95 33.18 2jyn s ARG 106 CO 0.04 -0.62 1.67 0.25 0.02 0.00 0.00 175.30 176.66 2jyn n THR 107 N 4.21 0.00 -3.66 0.02 -2.24 -0.31 -4.78 114.28 107.52 2jyn n THR 107 Ca 0.14 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.82 2jyn n THR 107 Cb 0.40 -0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 68.20 2jyn n THR 107 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jyn s ASP 108 N -1.71 -0.30 -0.00 3.42 -1.08 -1.25 -2.46 116.67 113.29 2jyn s ASP 108 Ca 0.29 -0.37 -0.20 0.00 -0.52 0.00 0.00 52.55 51.75 2jyn s ASP 108 Cb 0.13 0.55 -0.26 0.00 -1.46 0.00 0.00 42.92 41.89 2jyn s ASP 108 CO 0.22 -0.99 1.06 0.00 0.52 0.00 0.00 175.17 175.98 2jyn h ALA 109 N 2.21 0.03 0.00 3.66 0.00 -1.76 -3.16 119.26 120.24 2jyn h ALA 109 Ca -0.31 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 53.98 2jyn h ALA 109 Cb 1.27 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2jyn h ALA 109 CO 0.40 0.39 0.00 0.43 0.00 0.00 0.00 179.25 180.47 2jyn n SER 110 N -4.15 0.69 -4.74 0.00 7.64 -1.26 -4.64 113.62 107.16 2jyn n SER 110 Ca -0.11 -1.96 -0.40 0.00 1.01 0.00 0.00 58.87 57.40 2jyn n SER 110 Cb 0.74 -0.34 -0.05 0.00 -1.01 0.00 0.00 64.21 63.55 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 -1.30 3.31 0.92 -0.43 0.00 -1.20 -5.09 121.76 117.98 2jyn s ALA 111 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.42 2jyn s ALA 111 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2jyn s ALA 111 CO 0.00 0.04 0.00 -0.85 0.00 0.00 0.00 175.76 174.95 2jyn n GLU 112 N 2.63 1.52 -0.73 0.00 0.28 -1.26 -4.96 120.64 118.12 2jyn n GLU 112 Ca -0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.05 2jyn n GLU 112 Cb 0.49 0.00 0.32 0.00 1.43 0.00 0.00 31.44 33.68 2jyn n GLU 112 CO 0.00 0.00 0.00 2.48 -0.16 0.00 0.00 177.13 179.45 2jyn n TYR 113 N 0.00 1.69 -2.10 -1.84 4.11 -1.26 -4.38 117.16 113.38 2jyn n TYR 113 Ca 0.00 -0.61 -0.28 0.00 -0.00 0.00 0.00 57.90 57.02 2jyn n TYR 113 Cb 0.00 -0.44 0.13 0.00 -0.00 0.00 0.00 39.34 39.03 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 -0.62 1.73 0.12 -7.48 0.00 -1.26 -4.82 107.32 94.99 2jyn s GLY 114 Ca 0.44 -1.17 -0.18 0.00 0.00 0.00 0.00 44.72 43.81 2jyn s GLY 114 CO 0.13 -0.55 1.70 1.46 0.00 0.00 0.00 173.10 175.84 2jyn h GLN 115 N -1.15 0.42 0.00 2.90 1.08 -1.95 -0.70 115.11 115.71 2jyn h GLN 115 Ca -0.43 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 56.67 2jyn h GLN 115 Cb 1.27 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.62 2jyn h GLN 115 CO 0.47 0.38 -0.85 0.74 -0.95 0.00 0.00 178.83 178.62 2jyn h PHE 116 N 0.35 0.00 0.00 2.96 0.04 -1.98 -3.35 116.94 114.96 2jyn h PHE 116 Ca 0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.87 2jyn h PHE 116 Cb 0.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.25 2jyn h PHE 116 CO -0.02 0.16 -0.72 1.79 -0.60 0.00 0.00 178.31 178.92 2jyn h THR 117 N 0.00 0.00 -4.04 -1.55 1.35 -1.83 -3.44 112.91 103.40 2jyn h THR 117 Ca -0.03 -0.87 -0.42 0.00 -0.55 0.00 0.00 66.41 64.53 2jyn h THR 117 Cb 1.16 1.48 -0.29 0.00 -1.73 0.00 0.00 68.15 68.76 2jyn h THR 117 CO 0.02 0.00 -0.79 0.42 -0.25 0.00 0.00 175.52 174.92 2jyn s THR 118 N -3.29 0.83 0.02 6.82 -4.23 -0.28 -1.16 115.64 114.35 2jyn s THR 118 Ca 0.03 -0.44 0.05 0.00 -1.18 0.00 0.00 61.69 60.14 2jyn s THR 118 Cb 0.10 -0.71 -0.02 0.00 1.34 0.00 0.00 72.50 73.21 2jyn s THR 118 CO 0.75 0.24 -0.14 0.00 -0.54 0.00 0.00 174.62 174.93 2jyn s PHE 120 N -0.62 2.40 0.38 0.00 0.40 -1.26 -1.74 117.98 117.54 2jyn s PHE 120 Ca 0.03 0.61 0.01 0.00 -0.60 0.00 0.00 56.93 56.99 2jyn s PHE 120 Cb -0.07 -4.35 -0.00 0.00 0.51 0.00 0.00 43.02 39.11 2jyn s PHE 120 CO 0.01 -1.91 0.03 1.33 0.70 0.00 0.00 175.22 175.38 2jyn n VAL 121 N 7.00 0.00 -2.48 -0.44 0.24 -1.04 -5.00 118.33 116.61 2jyn n VAL 121 Ca 0.15 -1.92 -0.33 0.00 -2.04 0.00 0.00 64.34 60.20 2jyn n VAL 121 Cb 0.49 0.47 -0.04 0.00 -1.47 0.00 0.00 33.84 33.29 2jyn n VAL 121 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2jyn s VAL 122 N -2.56 4.17 0.25 3.34 -7.23 -1.26 -1.61 120.40 115.50 2jyn s VAL 122 Ca 0.05 1.19 0.36 0.00 -1.81 0.00 0.00 61.98 61.77 2jyn s VAL 122 Cb 0.00 -3.55 0.39 0.00 0.56 0.00 0.00 36.38 33.78 2jyn s VAL 122 CO 0.03 -0.44 2.07 -0.09 -0.31 0.00 0.00 175.10 176.37 2jyn h ARG 123 N 1.25 0.00 -0.27 4.82 2.43 -0.79 -1.79 114.38 120.02 2jyn h ARG 123 Ca -0.48 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.52 2jyn h ARG 123 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2jyn h ARG 123 CO 0.60 0.02 -0.51 1.25 -1.51 0.00 0.00 179.97 179.82 2jyn h LEU 124 N 0.00 0.92 -0.65 3.80 7.12 -1.64 -1.71 115.31 123.16 2jyn h LEU 124 Ca -0.00 -0.53 -0.02 0.00 0.13 0.00 0.00 57.88 57.45 2jyn h LEU 124 Cb 0.39 -0.26 -0.03 0.00 -0.53 0.00 0.00 40.66 40.23 2jyn h LEU 124 CO 0.00 1.28 0.32 1.56 -0.13 0.00 0.00 178.44 181.47 2jyn h GLN 125 N 0.59 0.93 -0.13 1.25 4.20 -1.62 -1.65 115.11 118.68 2jyn h GLN 125 Ca 0.01 -0.13 0.04 0.00 0.06 0.00 0.00 58.65 58.63 2jyn h GLN 125 Cb 1.11 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 28.68 2jyn h GLN 125 CO 0.11 0.74 -0.18 0.35 -0.67 0.00 0.00 178.83 179.18 2jyn h PHE 126 N 0.89 -0.46 0.17 2.96 3.57 -1.39 -2.89 116.94 119.80 2jyn h PHE 126 Ca 0.22 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.76 2jyn h PHE 126 Cb 0.11 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.03 2jyn h PHE 126 CO 0.00 -0.25 -0.41 1.88 -2.23 0.00 0.00 178.31 177.30 2jyn h TYR 127 N -0.22 -1.15 -0.37 0.41 0.05 -1.10 -1.94 116.97 112.65 2jyn h TYR 127 Ca 0.10 0.03 0.04 0.00 0.05 0.00 0.00 58.73 58.95 2jyn h TYR 127 Cb 0.37 0.48 -0.07 0.00 1.01 0.00 0.00 36.73 38.51 2jyn h TYR 127 CO -0.29 -0.52 -0.49 0.00 -1.05 0.00 0.00 178.16 175.81 2jyn h ALA 128 N -0.21 -0.73 -0.12 3.88 0.00 -1.12 -0.46 119.26 120.50 2jyn h ALA 128 Ca 0.01 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 2jyn h ALA 128 Cb 0.68 1.08 0.01 0.00 0.00 0.00 0.00 17.79 19.56 2jyn h ALA 128 CO -0.21 -0.96 -0.77 0.74 0.00 0.00 0.00 179.25 178.05 2jyn h PHE 129 N -0.35 0.89 -0.14 0.00 0.04 -1.57 -2.97 116.94 112.85 2jyn h PHE 129 Ca 0.06 -0.40 -0.04 0.00 2.80 0.00 0.00 57.97 60.39 2jyn h PHE 129 Cb 0.52 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 2jyn h PHE 129 CO -0.72 1.20 -0.08 1.49 -0.60 0.00 0.00 178.31 179.60 2jyn h GLU 130 N 0.45 0.31 -0.69 1.51 4.57 -0.96 -2.47 114.58 117.29 2jyn h GLU 130 Ca -0.05 -0.14 0.04 0.00 -1.18 0.00 0.00 59.36 58.03 2jyn h GLU 130 Cb 1.38 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.92 2jyn h GLU 130 CO 0.15 0.65 0.41 0.82 -1.18 0.00 0.00 179.01 179.87 2jyn h ILE 131 N -0.04 1.04 0.54 2.32 2.04 -1.20 -0.05 117.51 122.16 2jyn h ILE 131 Ca 0.03 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 2jyn h ILE 131 Cb 0.57 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2jyn h ILE 131 CO 0.02 0.14 -0.50 0.00 0.00 0.00 0.00 178.15 177.82 2jyn h ALA 132 N 1.32 -1.17 0.00 1.87 0.00 -1.38 -2.04 119.26 117.86 2jyn h ALA 132 Ca 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2jyn h ALA 132 Cb 0.09 0.71 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2jyn h ALA 132 CO -0.14 -1.19 0.00 0.07 0.00 0.00 0.00 179.25 177.99 2jyn h ARG 133 N -1.03 0.00 -0.19 0.00 0.11 -1.40 -2.50 114.38 109.37 2jyn h ARG 133 Ca -0.07 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.96 2jyn h ARG 133 Cb 0.88 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.96 2jyn h ARG 133 CO -0.04 0.00 -0.08 -0.97 0.10 0.00 0.00 179.97 178.98 2jyn h ASN 134 N 0.00 0.40 -0.54 0.08 -1.24 -0.72 0.40 115.58 113.96 2jyn h ASN 134 Ca 0.00 -0.40 -0.12 0.00 0.71 0.00 0.00 56.30 56.49 2jyn h ASN 134 Cb 0.53 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.46 2jyn h ASN 134 CO 0.00 0.71 -0.12 0.11 -1.29 0.00 0.00 177.43 176.84 2jyn h LYS 135 N 0.08 1.04 0.00 6.67 1.57 -1.21 -2.82 116.57 121.90 2jyn h LYS 135 Ca 0.04 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2jyn h LYS 135 Cb 0.55 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2jyn h LYS 135 CO 0.03 1.08 0.00 0.72 -0.57 0.00 0.00 179.45 180.71 2jyn n HIS 136 N -4.14 0.00 -1.76 -1.35 8.25 -0.96 -4.91 115.22 110.36 2jyn n HIS 136 Ca 0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.34 2jyn n HIS 136 Cb 0.41 -0.23 -0.04 0.00 1.12 0.00 0.00 29.99 31.26 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 0.85 0.76 0.07 -1.41 0.00 -0.51 -4.89 105.19 100.05 2jyn n GLY 137 Ca 0.14 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.73 0.54 -1.12 0.99 4.77 0.02 -2.95 117.00 117.52 2jyn n LEU 138 Ca -0.15 0.52 0.10 0.00 -0.03 0.00 0.00 56.01 56.45 2jyn n LEU 138 Cb 0.52 -0.37 0.26 0.00 -2.33 0.00 0.00 43.42 41.50 2jyn n LEU 138 CO 0.20 -0.11 0.72 -0.46 -1.33 0.00 0.00 177.39 176.41 2jyn n ASN 139 N -1.99 3.57 0.23 -1.43 6.94 -1.22 -4.23 115.26 117.13 2jyn n ASN 139 Ca 0.06 -1.98 0.10 0.00 -0.02 0.00 0.00 54.58 52.74 2jyn n ASN 139 Cb 0.40 -0.37 0.54 0.00 -2.36 0.00 0.00 39.78 37.99 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 3.71 0.00 -0.01 0.53 3.58 -1.85 -2.61 116.42 119.77 2jyn h ASP 140 Ca 0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jyn h ASP 140 Cb 0.91 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.96 2jyn h ASP 140 CO 0.00 0.21 -0.00 4.11 -2.88 0.00 0.00 179.24 180.67 2jyn h TRP 141 N 0.00 0.04 -0.07 0.28 5.08 -1.84 -2.57 115.95 116.87 2jyn h TRP 141 Ca -0.00 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.91 2jyn h TRP 141 Cb 0.61 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 26.75 2jyn h TRP 141 CO 0.00 0.05 -0.23 0.82 -1.28 0.00 0.00 178.44 177.80 2jyn h ILE 142 N 0.04 1.20 0.00 0.12 2.04 -1.84 0.64 117.51 119.71 2jyn h ILE 142 Ca 0.01 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.95 2jyn h ILE 142 Cb 0.04 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2jyn h ILE 142 CO 0.00 0.27 0.00 1.33 0.00 0.00 0.00 178.15 179.75 2jyn n VAL 143 N -4.22 0.96 -2.70 1.67 0.24 -0.97 -2.66 118.33 110.64 2jyn n VAL 143 Ca -0.02 0.24 -0.05 0.00 -2.04 0.00 0.00 64.34 62.48 2jyn n VAL 143 Cb 0.31 -1.00 0.10 0.00 -1.47 0.00 0.00 33.84 31.78 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 -0.08 1.67 0.14 7.63 0.00 -0.91 -4.60 105.19 109.03 2jyn n GLY 144 Ca 0.04 -0.46 -0.07 0.00 0.00 0.00 0.00 46.02 45.53 2jyn n GLY 144 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2jyn h GLN 145 N 1.92 0.18 0.00 1.61 -0.00 -0.65 -3.49 115.11 114.68 2jyn h GLN 145 Ca -0.29 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.35 2jyn h GLN 145 Cb 1.28 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 28.72 2jyn h GLN 145 CO 0.02 0.12 0.00 1.63 -0.00 0.00 0.00 178.83 180.60