#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 -4.40 -4.43 7.83 7.64 -1.26 -4.83 113.62 114.17 2jyn n SER 2 Ca 0.00 0.80 -0.44 0.00 1.01 0.00 0.00 58.87 60.24 2jyn n SER 2 Cb 0.00 -1.95 -0.02 0.00 -1.01 0.00 0.00 64.21 61.24 2jyn n SER 2 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2jyn s THR 3 N -3.91 5.00 -0.22 0.44 -4.23 -1.26 -4.93 115.64 106.52 2jyn s THR 3 Ca 0.00 -2.05 -0.26 0.00 -1.18 0.00 0.00 61.69 58.20 2jyn s THR 3 Cb 0.00 -4.76 0.08 0.00 1.34 0.00 0.00 72.50 69.16 2jyn s THR 3 CO 0.00 -1.45 0.76 0.72 -0.54 0.00 0.00 174.62 174.11 2jyn s PHE 4 N 1.85 -0.72 0.35 3.99 -0.71 -1.26 -5.18 117.98 116.30 2jyn s PHE 4 Ca 0.33 1.64 -0.10 0.00 -1.04 0.00 0.00 56.93 57.76 2jyn s PHE 4 Cb -0.05 0.31 -0.07 0.00 -1.21 0.00 0.00 43.02 42.00 2jyn s PHE 4 CO -0.07 -0.41 0.69 0.54 -1.34 0.00 0.00 175.22 174.63 2jyn s ASN 5 N 0.01 6.56 0.42 1.98 4.22 -1.26 -5.09 114.94 121.77 2jyn s ASN 5 Ca -0.02 1.04 -0.15 0.00 -2.14 0.00 0.00 52.86 51.59 2jyn s ASN 5 Cb -0.04 -2.28 -0.08 0.00 1.28 0.00 0.00 41.25 40.13 2jyn s ASN 5 CO 0.02 -0.29 0.86 0.00 -2.04 0.00 0.00 177.10 175.65 2jyn s ALA 6 N -2.19 3.21 -0.06 3.54 0.00 -1.26 -5.10 121.76 119.89 2jyn s ALA 6 Ca 0.50 0.07 -0.26 0.00 0.00 0.00 0.00 51.96 52.26 2jyn s ALA 6 Cb -0.10 -2.91 0.06 0.00 0.00 0.00 0.00 23.12 20.16 2jyn s ALA 6 CO 0.28 0.03 0.58 -2.00 0.00 0.00 0.00 175.76 174.64 2jyn s GLU 7 N -3.60 0.92 -0.16 0.00 2.12 -1.26 -5.14 118.70 111.58 2jyn s GLU 7 Ca 0.56 0.22 -0.15 0.00 0.36 0.00 0.00 54.97 55.96 2jyn s GLU 7 Cb -0.10 0.43 -0.04 0.00 0.26 0.00 0.00 34.13 34.68 2jyn s GLU 7 CO 0.25 -0.26 0.33 0.95 -0.54 0.00 0.00 175.26 175.99 2jyn s THR 8 N -1.04 5.28 0.00 -1.70 -4.23 -1.26 -4.75 115.64 107.94 2jyn s THR 8 Ca -0.10 0.63 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 2jyn s THR 8 Cb -0.02 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.15 2jyn s THR 8 CO 0.07 0.36 0.00 0.00 -0.54 0.00 0.00 174.62 174.52 2jyn n ALA 9 N 3.70 0.00 -3.61 3.99 0.00 -1.26 -5.19 120.51 118.14 2jyn n ALA 9 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.24 2jyn n ALA 9 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 2jyn n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jyn s ASP 10 N 1.00 0.02 0.15 0.00 1.01 -1.26 -5.06 116.67 112.53 2jyn s ASP 10 Ca 0.00 -0.98 0.00 0.00 0.71 0.00 0.00 52.55 52.28 2jyn s ASP 10 Cb 0.00 0.75 0.00 0.00 1.01 0.00 0.00 42.92 44.68 2jyn s ASP 10 CO 0.00 -1.44 0.00 -3.20 0.21 0.00 0.00 175.17 170.74 2jyn n ASN 11 N -0.93 -3.11 0.15 0.27 2.85 -1.26 -4.22 115.26 109.01 2jyn n ASN 11 Ca -0.05 0.37 0.10 0.00 -0.11 0.00 0.00 54.58 54.89 2jyn n ASN 11 Cb 0.60 -0.66 0.61 0.00 1.24 0.00 0.00 39.78 41.57 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 0.44 0.08 -0.89 1.20 3.38 -2.01 -1.37 115.31 116.14 2jyn h LEU 12 Ca 0.00 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2jyn h LEU 12 Cb 0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2jyn h LEU 12 CO 0.00 0.06 -0.15 1.05 0.09 0.00 0.00 178.44 179.49 2jyn h GLU 13 N 0.10 0.65 0.08 1.13 -0.00 -1.98 -1.41 114.58 113.14 2jyn h GLU 13 Ca 0.09 -0.22 -0.25 0.00 -0.00 0.00 0.00 59.36 58.98 2jyn h GLU 13 Cb 0.22 -0.05 -0.01 0.00 -0.00 0.00 0.00 28.75 28.91 2jyn h GLU 13 CO -0.01 0.77 -1.13 0.22 -0.00 0.00 0.00 179.01 178.86 2jyn h ASP 14 N 0.59 0.29 -0.61 3.06 3.58 -1.47 -0.67 116.42 121.19 2jyn h ASP 14 Ca 0.10 -0.30 0.01 0.00 0.42 0.00 0.00 57.03 57.26 2jyn h ASP 14 Cb 0.59 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.52 2jyn h ASP 14 CO 0.04 1.22 0.39 0.40 -2.88 0.00 0.00 179.24 178.41 2jyn h ILE 15 N 0.06 1.13 0.00 2.25 1.08 -1.11 -0.94 117.51 119.98 2jyn h ILE 15 Ca -0.09 -0.27 -0.00 0.00 -0.39 0.00 0.00 64.86 64.10 2jyn h ILE 15 Cb 1.86 0.26 -0.00 0.00 -3.07 0.00 0.00 36.82 35.87 2jyn h ILE 15 CO 0.18 0.14 -0.22 -0.33 -0.69 0.00 0.00 178.15 177.23 2jyn h GLU 16 N 0.79 0.00 0.42 2.37 5.08 -1.30 -2.46 114.58 119.48 2jyn h GLU 16 Ca 0.23 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 2jyn h GLU 16 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2jyn h GLU 16 CO -0.07 0.02 -0.20 -0.22 -1.00 0.00 0.00 179.01 177.54 2jyn h LYS 17 N 0.00 -0.55 -0.32 2.33 3.64 -0.67 -0.71 116.57 120.29 2jyn h LYS 17 Ca -0.00 0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 2jyn h LYS 17 Cb 1.02 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 2jyn h LYS 17 CO 0.00 -0.24 -0.11 -0.56 -2.27 0.00 0.00 179.45 176.27 2jyn h GLN 18 N -0.94 0.54 -0.07 1.90 3.07 -1.28 -2.50 115.11 115.83 2jyn h GLN 18 Ca -0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 58.65 58.51 2jyn h GLN 18 Cb 0.56 -0.06 -0.00 0.00 0.08 0.00 0.00 27.48 28.06 2jyn h GLN 18 CO 0.10 0.65 0.01 0.35 0.09 0.00 0.00 178.83 180.03 2jyn h PHE 19 N 0.50 0.14 -0.40 0.06 3.57 -1.50 -2.21 116.94 117.11 2jyn h PHE 19 Ca 0.09 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 2jyn h PHE 19 Cb 0.50 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 2jyn h PHE 19 CO 0.02 0.37 0.15 0.00 -2.23 0.00 0.00 178.31 176.62 2jyn h ALA 20 N 0.75 0.52 -0.22 2.41 0.00 -0.90 -0.67 119.26 121.14 2jyn h ALA 20 Ca 0.02 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 2jyn h ALA 20 Cb 0.31 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jyn h ALA 20 CO 0.00 0.13 -0.34 -0.24 0.00 0.00 0.00 179.25 178.80 2jyn h VAL 21 N 0.50 1.32 0.00 0.00 3.04 -1.54 -2.50 116.25 117.07 2jyn h VAL 21 Ca 0.13 -1.54 -0.08 0.00 -1.01 0.00 0.00 66.70 64.20 2jyn h VAL 21 Cb 0.20 1.77 -0.01 0.00 -2.01 0.00 0.00 31.29 31.24 2jyn h VAL 21 CO -0.01 0.48 -0.39 1.62 -1.01 0.00 0.00 177.57 178.26 2jyn h VAL 22 N 0.32 1.20 0.25 1.51 3.04 -1.30 -1.03 116.25 120.25 2jyn h VAL 22 Ca 0.02 -1.37 -0.01 0.00 -1.01 0.00 0.00 66.70 64.33 2jyn h VAL 22 Cb 0.92 1.75 0.00 0.00 -2.01 0.00 0.00 31.29 31.96 2jyn h VAL 22 CO 0.08 0.38 -0.12 0.00 -1.01 0.00 0.00 177.57 176.90 2jyn h ALA 23 N 1.61 -0.34 -0.13 3.17 0.00 -1.09 -1.85 119.26 120.63 2jyn h ALA 23 Ca -0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2jyn h ALA 23 Cb 0.72 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2jyn h ALA 23 CO 0.05 -0.42 -0.31 -0.39 0.00 0.00 0.00 179.25 178.18 2jyn h VAL 24 N -0.88 1.26 -0.22 0.00 -1.51 -1.44 -2.23 116.25 111.24 2jyn h VAL 24 Ca -0.03 -1.26 -0.20 0.00 -1.23 0.00 0.00 66.70 63.97 2jyn h VAL 24 Cb 0.51 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 2jyn h VAL 24 CO 0.06 0.38 -0.66 1.05 -1.23 0.00 0.00 177.57 177.17 2jyn h GLU 25 N 0.22 0.81 -0.67 5.19 -0.00 -1.26 -1.92 114.58 116.96 2jyn h GLU 25 Ca 0.03 -0.58 -0.05 0.00 -0.00 0.00 0.00 59.36 58.75 2jyn h GLU 25 Cb 0.66 0.10 -0.03 0.00 -0.00 0.00 0.00 28.75 29.48 2jyn h GLU 25 CO 0.05 1.20 0.20 0.37 -0.00 0.00 0.00 179.01 180.83 2jyn h GLN 26 N 0.59 1.03 -0.23 1.06 5.75 -1.06 0.12 115.11 122.37 2jyn h GLN 26 Ca -0.02 -0.21 -0.12 0.00 -0.15 0.00 0.00 58.65 58.16 2jyn h GLN 26 Cb 1.27 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 29.67 2jyn h GLN 26 CO 0.14 0.89 -0.30 0.00 -2.65 0.00 0.00 178.83 176.90 2jyn h ALA 27 N 1.22 0.35 0.01 3.38 0.00 -1.37 -1.34 119.26 121.52 2jyn h ALA 27 Ca 0.22 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 2jyn h ALA 27 Cb 0.29 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2jyn h ALA 27 CO -0.01 0.37 -0.96 1.05 0.00 0.00 0.00 179.25 179.70 2jyn h GLU 28 N 0.31 0.04 -0.25 0.00 4.11 -1.24 -2.61 114.58 114.94 2jyn h GLU 28 Ca 0.03 -0.06 -0.15 0.00 0.07 0.00 0.00 59.36 59.25 2jyn h GLU 28 Cb 0.88 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 2jyn h GLU 28 CO 0.07 0.97 -0.41 1.15 0.07 0.00 0.00 179.01 180.86 2jyn h THR 29 N 0.02 1.30 -0.59 -1.06 2.02 -0.80 -2.00 112.91 111.80 2jyn h THR 29 Ca -0.02 -1.61 0.09 0.00 0.77 0.00 0.00 66.41 65.64 2jyn h THR 29 Cb 1.68 1.71 -0.07 0.00 -1.74 0.00 0.00 68.15 69.72 2jyn h THR 29 CO 0.13 0.51 0.19 0.22 0.37 0.00 0.00 175.52 176.95 2jyn h TYR 30 N 0.46 0.33 0.67 3.16 3.20 -1.25 0.72 116.97 124.27 2jyn h TYR 30 Ca 0.02 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 2jyn h TYR 30 Cb 1.00 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.22 2jyn h TYR 30 CO 0.08 0.07 -0.36 2.35 -1.64 0.00 0.00 178.16 178.66 2jyn h TRP 31 N 0.36 -0.93 0.00 -3.82 2.91 -1.37 -2.53 115.95 110.56 2jyn h TRP 31 Ca 0.30 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.28 2jyn h TRP 31 Cb 0.38 0.32 -0.00 0.00 -0.51 0.00 0.00 29.16 29.35 2jyn h TRP 31 CO -0.19 -0.56 -0.09 1.57 -1.03 0.00 0.00 178.44 178.14 2jyn h LYS 32 N -0.95 0.00 -0.21 2.65 5.09 -1.14 -1.44 116.57 120.58 2jyn h LYS 32 Ca -0.09 0.00 -0.08 0.00 0.09 0.00 0.00 60.65 60.57 2jyn h LYS 32 Cb 0.74 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.07 2jyn h LYS 32 CO 0.13 0.09 -0.18 -0.07 -2.09 0.00 0.00 179.45 177.33 2jyn h LEU 33 N 0.00 0.52 -0.04 7.07 3.38 -0.80 -2.64 115.31 122.80 2jyn h LEU 33 Ca -0.00 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 2jyn h LEU 33 Cb 0.60 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2jyn h LEU 33 CO 0.01 0.88 0.00 -0.07 0.09 0.00 0.00 178.44 179.35 2jyn h LEU 34 N 0.18 0.06 -2.13 1.67 3.38 -0.99 -0.50 115.31 116.98 2jyn h LEU 34 Ca 0.04 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.72 2jyn h LEU 34 Cb 0.72 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2jyn h LEU 34 CO 0.05 0.35 0.05 0.71 0.09 0.00 0.00 178.44 179.69 2jyn h THR 35 N -0.23 0.82 0.00 0.22 1.35 -1.32 -2.94 112.91 110.82 2jyn h THR 35 Ca 0.01 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.84 2jyn h THR 35 Cb 0.32 0.96 -0.00 0.00 -1.73 0.00 0.00 68.15 67.70 2jyn h THR 35 CO 0.00 0.00 -0.27 -1.28 -0.25 0.00 0.00 175.52 173.72 2jyn h SER 36 N 0.00 0.00 -4.10 5.36 0.87 -1.41 -3.44 113.55 110.82 2jyn h SER 36 Ca 0.03 -0.26 -0.39 0.00 -1.23 0.00 0.00 61.79 59.95 2jyn h SER 36 Cb 0.13 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 61.81 2jyn h SER 36 CO -0.00 0.77 -0.78 0.68 -0.53 0.00 0.00 176.83 176.98 2jyn s VAL 37 N -1.94 0.72 0.91 2.23 -7.23 -0.20 -5.11 120.40 109.77 2jyn s VAL 37 Ca -0.11 -0.48 -0.12 0.00 -1.81 0.00 0.00 61.98 59.47 2jyn s VAL 37 Cb 0.01 -0.62 0.09 0.00 0.56 0.00 0.00 36.38 36.41 2jyn s VAL 37 CO 0.26 0.14 0.85 -2.65 -0.31 0.00 0.00 175.10 173.38 2jyn n PRO 38 N 2.68 -0.29 0.00 4.82 -0.02 -1.25 -3.71 135.00 137.22 2jyn n PRO 38 Ca -0.14 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2jyn n PRO 38 Cb 0.57 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 0.83 -0.60 0.13 -1.23 0.00 -1.26 -3.90 105.19 99.16 2jyn n GLY 39 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 2jyn n GLY 39 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2jyn h SER 40 N 0.00 0.37 0.47 1.61 0.87 -1.98 -3.24 113.55 111.65 2jyn h SER 40 Ca 0.00 -0.50 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 2jyn h SER 40 Cb 0.08 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 2jyn h SER 40 CO 0.00 0.79 -0.53 2.29 -0.53 0.00 0.00 176.83 178.85 2jyn n LYS 41 N -4.55 0.00 -2.83 2.24 0.00 -1.25 -4.80 118.16 106.97 2jyn n LYS 41 Ca -0.06 -0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.82 2jyn n LYS 41 Cb 0.37 -1.50 -0.04 0.00 -0.00 0.00 0.00 35.03 33.86 2jyn n LYS 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2jyn s LEU 42 N -3.00 4.08 -0.01 -5.58 1.43 -1.23 -5.04 118.68 109.34 2jyn s LEU 42 Ca 0.11 -0.33 -0.06 0.00 -1.03 0.00 0.00 54.13 52.82 2jyn s LEU 42 Cb 0.17 -2.85 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 2jyn s LEU 42 CO 0.71 -1.24 0.24 -0.13 0.23 0.00 0.00 176.35 176.17 2jyn s ARG 43 N 3.99 3.55 -0.06 1.70 3.00 -1.26 -4.92 118.95 124.95 2jyn s ARG 43 Ca 0.31 -0.11 -0.16 0.00 0.00 0.00 0.00 55.73 55.77 2jyn s ARG 43 Cb -0.12 -3.10 -0.30 0.00 0.00 0.00 0.00 34.95 31.43 2jyn s ARG 43 CO 0.20 0.67 0.71 -0.07 0.00 0.00 0.00 175.30 176.80 2jyn h LEU 44 N 4.08 0.52 0.00 2.53 4.07 -1.97 -3.49 115.31 121.05 2jyn h LEU 44 Ca -0.50 -0.90 0.00 0.00 0.08 0.00 0.00 57.88 56.55 2jyn h LEU 44 Cb 1.20 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.77 2jyn h LEU 44 CO 0.66 1.63 0.00 0.35 -1.08 0.00 0.00 178.44 180.00 2jyn n THR 45 N -3.86 0.00 0.05 0.22 -2.24 -1.26 -5.01 114.28 102.19 2jyn n THR 45 Ca -0.22 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.50 2jyn n THR 45 Cb 0.96 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 69.07 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 -0.63 -0.78 3.64 -2.04 -3.36 116.57 113.40 2jyn h LYS 46 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jyn h LYS 46 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2jyn h LYS 46 CO 0.00 0.86 0.00 1.19 -2.27 0.00 0.00 179.45 179.23 2jyn n PHE 47 N -3.28 1.06 -0.18 1.91 3.72 -1.26 -4.54 117.46 114.89 2jyn n PHE 47 Ca -0.03 -0.55 -0.02 0.00 -0.05 0.00 0.00 57.45 56.80 2jyn n PHE 47 Cb 0.94 -0.09 0.19 0.00 -0.94 0.00 0.00 39.48 39.58 2jyn n PHE 47 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 2jyn h ASP 48 N 3.79 0.85 -0.31 4.37 2.03 -1.96 -1.83 116.42 123.36 2jyn h ASP 48 Ca 0.00 -0.11 -0.03 0.00 -0.73 0.00 0.00 57.03 56.16 2jyn h ASP 48 Cb 1.11 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 39.38 2jyn h ASP 48 CO 0.08 0.75 0.07 -0.78 -1.03 0.00 0.00 179.24 178.33 2jyn h ASP 49 N 0.92 0.48 0.54 4.15 3.58 -1.90 -2.89 116.42 121.30 2jyn h ASP 49 Ca 0.22 -0.24 -0.11 0.00 0.42 0.00 0.00 57.03 57.33 2jyn h ASP 49 Cb 0.16 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 2jyn h ASP 49 CO -0.02 0.59 -0.50 1.05 -2.88 0.00 0.00 179.24 177.48 2jyn h GLU 50 N 0.34 0.00 -0.55 0.28 4.11 -1.81 -1.94 114.58 115.01 2jyn h GLU 50 Ca 0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.52 2jyn h GLU 50 Cb 0.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2jyn h GLU 50 CO 0.00 0.50 0.32 0.82 0.07 0.00 0.00 179.01 180.72 2jyn h ILE 51 N 0.00 1.18 -0.31 -1.06 2.04 -1.24 -0.36 117.51 117.75 2jyn h ILE 51 Ca -0.01 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.44 2jyn h ILE 51 Cb 0.91 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 2jyn h ILE 51 CO 0.07 0.19 0.18 0.22 0.00 0.00 0.00 178.15 178.80 2jyn h TYR 52 N 0.74 0.33 0.78 1.37 3.20 -1.28 -2.61 116.97 119.50 2jyn h TYR 52 Ca 0.20 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 2jyn h TYR 52 Cb 0.02 -0.11 0.01 0.00 1.54 0.00 0.00 36.73 38.19 2jyn h TYR 52 CO -0.02 0.19 -0.37 0.93 -1.64 0.00 0.00 178.16 177.25 2jyn h GLU 53 N 0.37 -1.00 0.00 1.82 5.08 -0.88 -1.43 114.58 118.54 2jyn h GLU 53 Ca 0.12 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2jyn h GLU 53 Cb 0.01 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2jyn h GLU 53 CO -0.06 -0.67 -0.06 -0.91 -1.00 0.00 0.00 179.01 176.31 2jyn h ASN 54 N -1.21 0.00 -0.09 1.42 2.35 -1.19 -1.33 115.58 115.52 2jyn h ASN 54 Ca -0.11 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.46 2jyn h ASN 54 Cb 0.80 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.18 2jyn h ASN 54 CO 0.17 0.06 -0.66 0.15 -1.65 0.00 0.00 177.43 175.50 2jyn h PHE 55 N 0.00 0.85 0.00 1.19 3.57 -1.37 -1.72 116.94 119.45 2jyn h PHE 55 Ca -0.00 -0.39 -0.07 0.00 3.53 0.00 0.00 57.97 61.04 2jyn h PHE 55 Cb 0.24 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2jyn h PHE 55 CO 0.00 1.20 -0.32 0.00 -2.23 0.00 0.00 178.31 176.96 2jyn h MET 56 N 0.25 0.00 0.00 1.11 -0.00 -0.35 -1.25 114.93 114.69 2jyn h MET 56 Ca -0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.57 2jyn h MET 56 Cb 1.31 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.90 2jyn h MET 56 CO 0.14 0.32 -0.55 0.93 -0.00 0.00 0.00 176.91 177.74 2jyn h GLU 57 N 0.00 0.00 0.00 -0.10 4.39 -1.36 -3.31 114.58 114.20 2jyn h GLU 57 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 2jyn h GLU 57 Cb 0.98 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 2jyn h GLU 57 CO 0.04 0.53 -0.40 0.00 -1.16 0.00 0.00 179.01 178.02 2jyn h ARG 58 N -1.00 0.00 -2.10 2.33 -0.00 -1.41 -3.35 114.38 108.85 2jyn h ARG 58 Ca -0.11 0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 58.80 2jyn h ARG 58 Cb 0.77 0.00 -0.41 0.00 0.00 0.00 0.00 29.97 30.33 2jyn h ARG 58 CO -0.07 0.13 -0.89 1.19 0.00 0.00 0.00 179.97 180.33 2jyn n PHE 59 N -3.03 1.62 1.57 3.04 3.72 -0.47 -4.98 117.46 118.93 2jyn n PHE 59 Ca 0.02 -3.85 0.01 0.00 -0.05 0.00 0.00 57.45 53.57 2jyn n PHE 59 Cb 0.60 -0.45 0.03 0.00 -0.94 0.00 0.00 39.48 38.72 2jyn n PHE 59 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2jyn n PRO 60 N 0.85 1.21 0.16 -1.08 -0.04 -1.24 -3.01 135.00 131.85 2jyn n PRO 60 Ca 0.26 -0.27 0.12 0.00 -0.04 0.00 0.00 63.50 63.57 2jyn n PRO 60 Cb 0.49 -1.16 0.15 0.00 -0.04 0.00 0.00 33.50 32.93 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 0.42 0.00 0.00 0.54 4.11 -1.90 -3.26 114.58 114.49 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 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2jyn h GLU 61 CO 0.01 0.00 -0.64 0.10 0.07 0.00 0.00 179.01 178.55 2jyn h TYR 62 N 0.00 0.00 0.00 2.06 -0.00 -1.89 -3.40 116.97 113.74 2jyn h TYR 62 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2jyn h TYR 62 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.68 2jyn h TYR 62 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 178.16 179.73 2jyn h LYS 63 N 0.00 0.00 -6.87 0.10 2.10 -1.75 -3.13 116.57 107.02 2jyn h LYS 63 Ca 0.00 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.09 2jyn h LYS 63 Cb 0.75 0.00 0.12 0.00 -0.90 0.00 0.00 32.23 32.21 2jyn h LYS 63 CO 0.00 0.00 0.55 -0.25 -2.00 0.00 0.00 179.45 177.75 2jyn n ASP 64 N -2.97 2.75 0.20 7.07 8.00 -1.26 -4.83 116.55 125.52 2jyn n ASP 64 Ca -0.02 1.11 0.04 0.00 0.71 0.00 0.00 54.79 56.63 2jyn n ASP 64 Cb 0.08 -1.53 0.46 0.00 -0.02 0.00 0.00 41.12 40.12 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 2.12 1.16 0.00 2.53 2.07 -2.00 0.12 116.25 122.26 2jyn h VAL 65 Ca -0.49 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.29 2jyn h VAL 65 Cb 1.29 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 2jyn h VAL 65 CO 0.60 0.22 0.00 -0.33 0.02 0.00 0.00 177.57 178.08 2jyn h GLU 66 N 0.03 0.00 0.00 1.57 5.08 -1.91 -2.95 114.58 116.41 2jyn h GLU 66 Ca 0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2jyn h GLU 66 Cb 0.38 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2jyn h GLU 66 CO 0.03 0.00 -1.93 0.54 -1.00 0.00 0.00 179.01 176.65 2jyn n ARG 67 N -2.88 0.66 0.09 2.33 5.12 -0.25 -4.15 116.66 117.58 2jyn n ARG 67 Ca 0.03 -0.07 -0.04 0.00 -1.93 0.00 0.00 57.85 55.84 2jyn n ARG 67 Cb 0.41 -1.58 -0.02 0.00 -1.16 0.00 0.00 32.46 30.11 2jyn n ARG 67 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 2jyn h VAL 68 N 0.00 1.48 -0.04 1.55 -1.51 -0.99 -3.34 116.25 113.40 2jyn h VAL 68 Ca -0.15 -2.88 -0.21 0.00 -1.23 0.00 0.00 66.70 62.22 2jyn h VAL 68 Cb 1.38 2.60 -0.00 0.00 -2.13 0.00 0.00 31.29 33.14 2jyn h VAL 68 CO 0.01 0.80 -0.84 0.07 -1.23 0.00 0.00 177.57 176.38 2jyn h LYS 69 N 0.00 0.41 -3.26 5.19 2.10 -1.70 -3.38 116.57 115.93 2jyn h LYS 69 Ca -0.01 -0.39 -0.10 0.00 -2.00 0.00 0.00 60.65 58.16 2jyn h LYS 69 Cb 1.54 0.10 -0.17 0.00 -0.90 0.00 0.00 32.23 32.79 2jyn h LYS 69 CO 0.11 1.04 -0.25 -1.59 -2.00 0.00 0.00 179.45 176.76 2jyn s LYS 70 N -3.43 0.79 0.38 0.07 0.00 -1.25 -1.74 119.74 114.56 2jyn s LYS 70 Ca -0.06 -0.46 0.01 0.00 0.00 0.00 0.00 55.97 55.47 2jyn s LYS 70 Cb 0.10 0.34 -0.01 0.00 0.00 0.00 0.00 37.83 38.26 2jyn s LYS 70 CO 0.85 -0.25 0.05 1.97 0.00 0.00 0.00 175.35 177.98 2jyn n PHE 71 N 0.67 0.61 -4.31 1.78 -1.74 -1.25 -4.58 117.46 108.65 2jyn n PHE 71 Ca -0.19 -2.11 -0.21 0.00 -0.56 0.00 0.00 57.45 54.39 2jyn n PHE 71 Cb 0.59 -0.16 -0.11 0.00 1.52 0.00 0.00 39.48 41.32 2jyn n PHE 71 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 2jyn s THR 72 N -2.64 1.68 0.24 1.97 2.01 -1.26 -4.94 115.64 112.71 2jyn s THR 72 Ca 0.07 -1.86 0.02 0.00 0.31 0.00 0.00 61.69 60.23 2jyn s THR 72 Cb 0.00 -1.76 -0.01 0.00 0.01 0.00 0.00 72.50 70.74 2jyn s THR 72 CO 0.05 -0.35 1.60 1.05 -0.69 0.00 0.00 174.62 176.28 2jyn h GLU 73 N 3.32 0.36 -0.44 4.92 4.11 -2.02 -3.32 114.58 121.51 2jyn h GLU 73 Ca -0.42 -0.21 -0.00 0.00 0.07 0.00 0.00 59.36 58.80 2jyn h GLU 73 Cb 1.20 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 2jyn h GLU 73 CO 0.51 0.78 0.26 0.93 0.07 0.00 0.00 179.01 181.56 2jyn h GLU 74 N 0.29 0.60 0.00 1.06 5.08 -1.98 0.07 114.58 119.69 2jyn h GLU 74 Ca 0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2jyn h GLU 74 Cb 0.97 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2jyn h GLU 74 CO 0.08 0.44 0.00 -0.85 -1.00 0.00 0.00 179.01 177.69 2jyn n GLU 75 N -4.74 0.45 -0.10 2.33 0.28 -1.25 -2.13 120.64 115.48 2jyn n GLU 75 Ca 0.01 0.05 -0.13 0.00 -0.16 0.00 0.00 57.16 56.93 2jyn n GLU 75 Cb 0.06 -1.50 -0.11 0.00 1.43 0.00 0.00 31.44 31.32 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 -1.16 2.32 0.23 -1.84 4.77 -0.63 -4.58 117.00 116.11 2jyn n LEU 76 Ca 0.12 -0.09 0.12 0.00 -0.03 0.00 0.00 56.01 56.14 2jyn n LEU 76 Cb 0.12 -0.50 0.32 0.00 -2.33 0.00 0.00 43.42 41.04 2jyn n LEU 76 CO 0.14 0.77 0.83 0.11 -1.33 0.00 0.00 177.39 177.90 2jyn h LYS 77 N 0.00 0.00 -7.29 3.23 1.57 -0.50 -3.41 116.57 110.17 2jyn h LYS 77 Ca -0.48 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.79 2jyn h LYS 77 Cb 1.81 0.00 0.13 0.00 0.08 0.00 0.00 32.23 34.25 2jyn h LYS 77 CO -0.05 0.07 0.32 -0.08 -0.57 0.00 0.00 179.45 179.14 2jyn s THR 78 N -3.35 3.20 0.24 -0.16 -1.32 -0.91 -4.94 115.64 108.40 2jyn s THR 78 Ca 0.05 0.42 -0.07 0.00 -1.21 0.00 0.00 61.69 60.88 2jyn s THR 78 Cb 0.07 -2.88 0.24 0.00 -1.51 0.00 0.00 72.50 68.42 2jyn s THR 78 CO 0.64 -0.48 1.91 0.50 -2.21 0.00 0.00 174.62 174.98 2jyn h LYS 79 N -0.97 1.28 -0.77 7.08 3.64 -1.93 -2.75 116.57 122.15 2jyn h LYS 79 Ca -0.44 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 58.88 2jyn h LYS 79 Cb 1.24 -0.28 -0.04 0.00 -0.41 0.00 0.00 32.23 32.73 2jyn h LYS 79 CO 0.51 0.87 0.51 0.93 -2.27 0.00 0.00 179.45 179.99 2jyn h GLU 80 N 1.31 0.94 -0.26 1.90 4.39 -1.95 -1.97 114.58 118.94 2jyn h GLU 80 Ca 0.35 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.94 2jyn h GLU 80 Cb -0.12 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.31 2jyn h GLU 80 CO -0.07 0.62 -0.05 0.00 -1.16 0.00 0.00 179.01 178.34 2jyn h ALA 81 N 1.54 0.35 -0.74 3.43 0.00 -1.74 -2.18 119.26 119.92 2jyn h ALA 81 Ca 0.30 -0.26 0.13 0.00 0.00 0.00 0.00 54.91 55.08 2jyn h ALA 81 Cb 0.02 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.62 2jyn h ALA 81 CO -0.08 0.15 0.31 0.87 0.00 0.00 0.00 179.25 180.49 2jyn h LYS 82 N 0.24 0.45 -0.28 0.00 1.79 -1.14 0.24 116.57 117.87 2jyn h LYS 82 Ca 0.07 -0.03 -0.14 0.00 -2.18 0.00 0.00 60.65 58.37 2jyn h LYS 82 Cb 0.52 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2jyn h LYS 82 CO 0.02 0.30 -0.36 0.93 -1.08 0.00 0.00 179.45 179.26 2jyn h GLU 83 N 0.46 0.75 -0.91 3.15 5.08 -1.54 -2.13 114.58 119.44 2jyn h GLU 83 Ca 0.40 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2jyn h GLU 83 Cb 0.58 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 2jyn h GLU 83 CO -0.38 1.05 0.57 0.00 -1.00 0.00 0.00 179.01 179.25 2jyn h ARG 84 N 0.49 1.23 -0.57 2.33 3.08 -0.48 -1.03 114.38 119.43 2jyn h ARG 84 Ca 0.04 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 2jyn h ARG 84 Cb 0.95 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 2jyn h ARG 84 CO 0.09 0.84 -0.01 -1.49 -1.07 0.00 0.00 179.97 178.33 2jyn h TRP 85 N 1.25 1.08 -0.09 3.04 4.06 -0.56 -0.98 115.95 123.75 2jyn h TRP 85 Ca 0.33 -0.18 -0.01 0.00 2.06 0.00 0.00 58.89 61.09 2jyn h TRP 85 Cb -0.08 -0.28 -0.00 0.00 -1.00 0.00 0.00 29.16 27.79 2jyn h TRP 85 CO -0.00 0.96 0.01 -0.09 -3.56 0.00 0.00 178.44 175.76 2jyn h ARG 86 N 0.91 0.15 -0.44 0.49 2.43 -0.93 0.84 114.38 117.83 2jyn h ARG 86 Ca 0.16 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2jyn h ARG 86 Cb 0.54 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 2jyn h ARG 86 CO 0.03 0.37 0.19 0.87 -1.51 0.00 0.00 179.97 179.92 2jyn h LYS 87 N -0.09 0.62 -0.28 0.20 6.56 -1.14 -0.91 116.57 121.53 2jyn h LYS 87 Ca 0.03 -0.08 -0.13 0.00 -1.06 0.00 0.00 60.65 59.41 2jyn h LYS 87 Cb 0.29 -0.12 -0.00 0.00 -0.57 0.00 0.00 32.23 31.83 2jyn h LYS 87 CO 0.00 0.50 -0.32 0.35 -2.06 0.00 0.00 179.45 177.93 2jyn h PHE 88 N 0.62 0.86 -0.07 -1.35 3.57 -1.00 -3.29 116.94 116.28 2jyn h PHE 88 Ca 0.15 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 2jyn h PHE 88 Cb 0.10 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 2jyn h PHE 88 CO 0.01 1.02 -0.00 0.35 -2.23 0.00 0.00 178.31 177.45 2jyn h PHE 89 N 0.45 0.14 0.00 0.41 3.57 -0.58 -3.19 116.94 117.74 2jyn h PHE 89 Ca 0.04 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2jyn h PHE 89 Cb 0.89 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.60 2jyn h PHE 89 CO 0.07 0.41 0.04 1.79 -2.23 0.00 0.00 178.31 178.40 2jyn h THR 90 N -0.17 0.00 0.12 4.41 1.35 -1.24 0.25 112.91 117.63 2jyn h THR 90 Ca 0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.87 2jyn h THR 90 Cb 0.36 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 67.35 2jyn h THR 90 CO 0.00 0.00 -0.06 0.40 -0.25 0.00 0.00 175.52 175.62 2jyn h ILE 91 N 0.00 1.02 -0.55 6.82 2.04 -1.62 -3.38 117.51 121.84 2jyn h ILE 91 Ca 0.00 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.63 2jyn h ILE 91 Cb 0.09 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 2jyn h ILE 91 CO 0.00 0.26 0.00 0.49 0.00 0.00 0.00 178.15 178.90 2jyn n PHE 92 N -4.89 1.13 0.43 1.37 3.72 0.58 -4.19 117.46 115.61 2jyn n PHE 92 Ca -0.08 -0.47 0.13 0.00 -0.05 0.00 0.00 57.45 56.98 2jyn n PHE 92 Cb 0.28 -0.16 0.48 0.00 -0.94 0.00 0.00 39.48 39.14 2jyn n PHE 92 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 2jyn h GLU 93 N 3.41 0.00 0.00 -1.08 -0.00 -0.88 0.11 114.58 116.14 2jyn h GLU 93 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 59.36 59.25 2jyn h GLU 93 Cb 1.14 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.87 2jyn h GLU 93 CO 0.15 0.00 -0.52 0.87 -0.00 0.00 0.00 179.01 179.51 2jyn h LYS 94 N 0.00 0.00 0.00 1.06 1.79 -1.86 -3.44 116.57 114.12 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 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 2jyn h LYS 94 CO 0.00 0.52 0.00 0.36 -1.08 0.00 0.00 179.45 179.25 2jyn n LYS 95 N -3.64 0.00 -2.23 3.15 0.00 -0.86 -4.98 118.16 109.60 2jyn n LYS 95 Ca -0.01 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.95 2jyn n LYS 95 Cb 0.58 -0.15 -0.04 0.00 -0.00 0.00 0.00 35.03 35.43 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 3.56 0.23 0.58 -1.09 0.32 -4.79 121.20 118.66 2jyn s ILE 96 Ca 0.00 -0.16 0.12 0.00 -2.23 0.00 0.00 60.65 58.38 2jyn s ILE 96 Cb 0.00 -4.35 -0.01 0.00 -1.58 0.00 0.00 42.46 36.52 2jyn s ILE 96 CO 0.00 -1.28 1.60 -0.33 -1.23 0.00 0.00 174.94 173.70 2jyn h GLU 97 N 11.82 0.00 -0.03 2.79 4.39 -1.91 -3.26 114.58 128.39 2jyn h GLU 97 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2jyn h GLU 97 Cb 1.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 2jyn h GLU 97 CO 1.27 0.60 0.00 -0.25 -1.16 0.00 0.00 179.01 179.47 2jyn n ASP 98 N -3.69 0.31 -0.34 1.42 9.92 -1.26 -4.61 116.55 118.29 2jyn n ASP 98 Ca -0.01 -1.52 0.17 0.00 -0.53 0.00 0.00 54.79 52.90 2jyn n ASP 98 Cb 0.63 -0.02 0.39 0.00 -0.64 0.00 0.00 41.12 41.48 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 0.40 0.96 -0.01 1.24 -0.00 -1.95 -0.66 116.97 116.95 2jyn h TYR 99 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.76 2jyn h TYR 99 Cb 0.09 -0.28 0.00 0.00 -0.00 0.00 0.00 36.73 36.54 2jyn h TYR 99 CO 0.02 0.11 -0.28 -1.71 -0.00 0.00 0.00 178.16 176.30 2jyn n ASN 100 N -4.80 1.45 -4.67 0.10 5.15 -1.26 -2.02 115.26 109.20 2jyn n ASN 100 Ca 0.26 -1.18 -0.42 0.00 -0.60 0.00 0.00 54.58 52.63 2jyn n ASN 100 Cb 0.73 0.21 -0.03 0.00 -0.53 0.00 0.00 39.78 40.16 2jyn n ASN 100 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2jyn s PHE 101 N -2.42 2.57 -0.28 1.20 5.36 -0.25 -4.74 117.98 119.41 2jyn s PHE 101 Ca 0.24 0.67 -0.28 0.00 -0.96 0.00 0.00 56.93 56.60 2jyn s PHE 101 Cb 0.19 -3.70 -0.03 0.00 -0.34 0.00 0.00 43.02 39.15 2jyn s PHE 101 CO 0.51 -2.68 1.90 0.20 -1.46 0.00 0.00 175.22 173.69 2jyn s GLY 102 N 2.38 0.76 -0.04 13.12 0.00 -1.26 -1.15 107.32 121.13 2jyn s GLY 102 Ca 0.64 0.44 0.07 0.00 0.00 0.00 0.00 44.72 45.87 2jyn s GLY 102 CO 0.24 3.40 -0.25 -1.59 0.00 0.00 0.00 173.10 174.89 2jyn s THR 103 N 7.09 2.04 -0.20 0.90 2.01 -0.01 -4.62 115.64 122.86 2jyn s THR 103 Ca 0.85 -1.08 -0.27 0.00 0.31 0.00 0.00 61.69 61.50 2jyn s THR 103 Cb -0.26 -1.72 -0.00 0.00 0.01 0.00 0.00 72.50 70.53 2jyn s THR 103 CO 0.34 0.57 0.93 -0.22 -0.69 0.00 0.00 174.62 175.55 2jyn s LEU 104 N -0.31 4.13 -0.11 4.42 2.96 -1.26 -1.31 118.68 127.20 2jyn s LEU 104 Ca 0.01 1.26 0.03 0.00 -0.22 0.00 0.00 54.13 55.21 2jyn s LEU 104 Cb -0.12 -3.38 0.00 0.00 0.50 0.00 0.00 46.19 43.19 2jyn s LEU 104 CO 0.02 -0.54 -0.22 -0.22 -1.32 0.00 0.00 176.35 174.07 2jyn s LEU 105 N 2.71 2.17 0.14 -0.68 2.96 -0.97 -4.41 118.68 120.59 2jyn s LEU 105 Ca 0.41 -0.54 -0.30 0.00 -0.22 0.00 0.00 54.13 53.47 2jyn s LEU 105 Cb -0.16 -1.44 -0.07 0.00 0.50 0.00 0.00 46.19 45.02 2jyn s LEU 105 CO 0.09 0.14 1.24 0.00 -1.32 0.00 0.00 176.35 176.50 2jyn s ARG 106 N 0.46 4.44 0.08 1.98 3.03 -1.26 -1.69 118.95 125.98 2jyn s ARG 106 Ca -0.15 1.90 -0.30 0.00 2.03 0.00 0.00 55.73 59.21 2jyn s ARG 106 Cb -0.17 -3.27 -0.17 0.00 -1.03 0.00 0.00 34.95 30.31 2jyn s ARG 106 CO 0.06 -0.21 1.66 1.79 -1.13 0.00 0.00 175.30 177.47 2jyn h THR 107 N 4.05 0.53 -1.92 4.99 1.35 -1.60 -3.46 112.91 116.85 2jyn h THR 107 Ca -0.43 0.00 -0.48 0.00 -0.55 0.00 0.00 66.41 64.95 2jyn h THR 107 Cb 1.21 0.53 -0.03 0.00 -1.73 0.00 0.00 68.15 68.14 2jyn h THR 107 CO 0.79 0.00 -0.43 -0.62 -0.25 0.00 0.00 175.52 175.01 2jyn s ASP 108 N -4.66 5.59 0.07 5.36 2.15 -1.26 -3.82 116.67 120.10 2jyn s ASP 108 Ca -0.16 -0.33 -0.34 0.00 0.43 0.00 0.00 52.55 52.15 2jyn s ASP 108 Cb 0.05 -1.18 -0.18 0.00 -0.30 0.00 0.00 42.92 41.30 2jyn s ASP 108 CO 0.63 -0.30 1.53 0.00 -0.17 0.00 0.00 175.17 176.86 2jyn h ALA 109 N 1.19 -1.24 -0.13 3.66 0.00 -1.60 -3.07 119.26 118.06 2jyn h ALA 109 Ca -0.46 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2jyn h ALA 109 Cb 1.25 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.64 2jyn h ALA 109 CO 0.57 -1.21 0.00 -1.13 0.00 0.00 0.00 179.25 177.49 2jyn n SER 110 N -5.38 1.88 -4.85 0.00 3.41 -1.26 -4.75 113.62 102.68 2jyn n SER 110 Ca -0.14 -2.18 -0.33 0.00 -0.26 0.00 0.00 58.87 55.96 2jyn n SER 110 Cb 0.47 -0.48 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.44 3.45 0.47 7.33 0.00 -1.16 -5.11 121.76 125.29 2jyn s ALA 111 Ca 0.12 -0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.06 2jyn s ALA 111 Cb 0.09 -2.64 0.07 0.00 0.00 0.00 0.00 23.12 20.63 2jyn s ALA 111 CO 0.04 0.40 0.54 -0.85 0.00 0.00 0.00 175.76 175.89 2jyn n GLU 112 N 0.10 0.49 -2.80 0.00 0.28 -1.26 -4.89 120.64 112.56 2jyn n GLU 112 Ca 0.00 -1.77 -0.44 0.00 -0.16 0.00 0.00 57.16 54.79 2jyn n GLU 112 Cb 0.52 -0.26 0.00 0.00 1.43 0.00 0.00 31.44 33.13 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 -2.00 4.70 -4.11 -1.84 4.11 -1.26 -4.51 117.16 112.25 2jyn n TYR 113 Ca 0.10 -3.21 -0.10 0.00 -0.00 0.00 0.00 57.90 54.69 2jyn n TYR 113 Cb 0.36 -2.25 -0.10 0.00 -0.00 0.00 0.00 39.34 37.35 2jyn n TYR 113 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 2jyn s GLY 114 N 2.86 0.59 0.20 -7.48 0.00 -1.26 -5.05 107.32 97.19 2jyn s GLY 114 Ca 0.44 -1.15 -0.16 0.00 0.00 0.00 0.00 44.72 43.86 2jyn s GLY 114 CO 0.01 -1.24 1.62 -1.61 0.00 0.00 0.00 173.10 171.88 2jyn h GLN 115 N 3.42 -0.05 0.05 2.90 4.15 -1.93 -1.27 115.11 122.38 2jyn h GLN 115 Ca -0.35 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 58.84 2jyn h GLN 115 Cb 1.17 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 2jyn h GLN 115 CO 0.59 -0.03 -1.05 0.74 -1.93 0.00 0.00 178.83 177.15 2jyn h PHE 116 N -0.05 0.38 -0.37 3.99 0.04 -1.98 -3.30 116.94 115.65 2jyn h PHE 116 Ca 0.28 -0.24 0.00 0.00 2.80 0.00 0.00 57.97 60.81 2jyn h PHE 116 Cb 0.49 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.61 2jyn h PHE 116 CO -0.54 1.12 0.00 0.25 -0.60 0.00 0.00 178.31 178.54 2jyn n THR 117 N -3.58 0.55 -4.11 -1.55 -2.24 -0.59 -4.87 114.28 97.90 2jyn n THR 117 Ca -0.05 -0.51 -0.09 0.00 -2.27 0.00 0.00 64.05 61.13 2jyn n THR 117 Cb 0.92 0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 69.25 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 -1.53 0.40 -0.02 4.28 -4.23 -0.59 -1.61 115.64 112.35 2jyn s THR 118 Ca 0.25 -1.74 -0.01 0.00 -1.18 0.00 0.00 61.69 59.01 2jyn s THR 118 Cb 0.13 -1.42 0.01 0.00 1.34 0.00 0.00 72.50 72.57 2jyn s THR 118 CO 0.16 -0.88 0.04 0.00 -0.54 0.00 0.00 174.62 173.41 2jyn s PHE 120 N 0.37 2.29 0.14 0.00 0.08 -1.26 -2.30 117.98 117.30 2jyn s PHE 120 Ca -0.03 0.64 0.02 0.00 0.12 0.00 0.00 56.93 57.67 2jyn s PHE 120 Cb -0.04 -4.30 0.02 0.00 -0.57 0.00 0.00 43.02 38.12 2jyn s PHE 120 CO -0.01 -2.09 0.13 1.33 -0.10 0.00 0.00 175.22 174.48 2jyn n VAL 121 N 7.09 0.00 -3.05 -0.44 0.24 -0.43 -4.95 118.33 116.79 2jyn n VAL 121 Ca 0.17 -0.51 -0.18 0.00 -2.04 0.00 0.00 64.34 61.77 2jyn n VAL 121 Cb 0.48 -0.54 0.01 0.00 -1.47 0.00 0.00 33.84 32.33 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 -0.42 3.23 0.18 3.34 -7.23 -1.26 -0.83 120.40 117.41 2jyn s VAL 122 Ca 0.10 -0.92 -0.13 0.00 -1.81 0.00 0.00 61.98 59.22 2jyn s VAL 122 Cb -0.01 -3.11 0.09 0.00 0.56 0.00 0.00 36.38 33.92 2jyn s VAL 122 CO 0.06 -0.05 1.74 0.03 -0.31 0.00 0.00 175.10 176.58 2jyn h ARG 123 N 0.60 0.33 -0.90 4.82 2.47 -0.52 -0.63 114.38 120.54 2jyn h ARG 123 Ca -0.42 -0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.31 2jyn h ARG 123 Cb 1.28 -0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 29.47 2jyn h ARG 123 CO 0.48 0.22 0.60 1.25 0.56 0.00 0.00 179.97 183.08 2jyn h LEU 124 N 0.34 0.99 -0.16 3.04 7.12 -1.75 -0.77 115.31 124.12 2jyn h LEU 124 Ca 0.24 -0.01 -0.23 0.00 0.13 0.00 0.00 57.88 58.01 2jyn h LEU 124 Cb 0.27 -0.23 0.01 0.00 -0.53 0.00 0.00 40.66 40.17 2jyn h LEU 124 CO -0.26 0.69 -0.93 1.56 -0.13 0.00 0.00 178.44 179.37 2jyn h GLN 125 N 1.16 0.51 -0.15 1.25 4.20 -1.75 -1.67 115.11 118.66 2jyn h GLN 125 Ca 0.35 -0.52 0.03 0.00 0.06 0.00 0.00 58.65 58.57 2jyn h GLN 125 Cb -0.02 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 2jyn h GLN 125 CO -0.10 1.16 -0.04 0.35 -0.67 0.00 0.00 178.83 179.53 2jyn h PHE 126 N 0.30 -0.08 0.34 2.96 3.57 -0.45 -2.63 116.94 120.94 2jyn h PHE 126 Ca -0.08 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 2jyn h PHE 126 Cb 1.56 0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.36 2jyn h PHE 126 CO 0.07 -0.06 -0.16 1.88 -2.23 0.00 0.00 178.31 177.80 2jyn h TYR 127 N -0.00 -0.42 -0.10 0.41 0.05 -1.20 -2.71 116.97 113.00 2jyn h TYR 127 Ca 0.07 -0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.86 2jyn h TYR 127 Cb 0.11 0.14 -0.04 0.00 1.01 0.00 0.00 36.73 37.95 2jyn h TYR 127 CO -0.18 -0.24 -0.34 0.00 -1.05 0.00 0.00 178.16 176.35 2jyn h ALA 128 N 0.17 -0.71 -0.05 3.88 0.00 -1.10 -0.82 119.26 120.64 2jyn h ALA 128 Ca -0.05 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 2jyn h ALA 128 Cb 0.37 0.86 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2jyn h ALA 128 CO 0.08 -0.83 -0.87 0.74 0.00 0.00 0.00 179.25 178.36 2jyn h PHE 129 N -0.35 0.73 -0.07 0.00 0.04 -1.61 -2.96 116.94 112.72 2jyn h PHE 129 Ca 0.02 -0.37 -0.03 0.00 2.80 0.00 0.00 57.97 60.39 2jyn h PHE 129 Cb 0.41 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.47 2jyn h PHE 129 CO -0.55 1.17 -0.08 1.49 -0.60 0.00 0.00 178.31 179.74 2jyn h GLU 130 N 0.32 0.18 -0.79 1.51 4.57 -1.31 -1.79 114.58 117.27 2jyn h GLU 130 Ca -0.07 -0.10 -0.04 0.00 -1.18 0.00 0.00 59.36 57.97 2jyn h GLU 130 Cb 1.49 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 30.06 2jyn h GLU 130 CO 0.16 0.64 0.32 0.82 -1.18 0.00 0.00 179.01 179.77 2jyn h ILE 131 N -0.26 1.26 0.45 2.32 2.04 -1.28 0.90 117.51 122.94 2jyn h ILE 131 Ca 0.01 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 2jyn h ILE 131 Cb 0.61 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 2jyn h ILE 131 CO 0.02 0.33 -0.43 0.00 0.00 0.00 0.00 178.15 178.07 2jyn h ALA 132 N 1.20 -0.96 0.00 1.87 0.00 -1.46 -1.56 119.26 118.36 2jyn h ALA 132 Ca 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jyn h ALA 132 Cb 0.20 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2jyn h ALA 132 CO -0.02 -1.08 0.00 0.07 0.00 0.00 0.00 179.25 178.22 2jyn h ARG 133 N -0.89 0.00 -0.28 0.00 0.11 -1.22 -1.34 114.38 110.76 2jyn h ARG 133 Ca -0.05 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.94 2jyn h ARG 133 Cb 0.78 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.85 2jyn h ARG 133 CO -0.05 0.00 -0.21 -0.97 0.10 0.00 0.00 179.97 178.84 2jyn h ASN 134 N 0.00 0.68 1.03 0.08 -1.24 -0.62 0.23 115.58 115.73 2jyn h ASN 134 Ca 0.00 -0.44 0.00 0.00 0.71 0.00 0.00 56.30 56.57 2jyn h ASN 134 Cb 0.60 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.46 2jyn h ASN 134 CO 0.00 0.98 -0.06 0.29 -1.29 0.00 0.00 177.43 177.35 2jyn n LYS 135 N -4.34 0.05 0.00 6.67 5.02 -0.60 -2.61 118.16 122.35 2jyn n LYS 135 Ca -0.04 0.04 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 2jyn n LYS 135 Cb 0.42 -1.55 0.03 0.00 -0.02 0.00 0.00 35.03 33.90 2jyn n LYS 135 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2jyn n HIS 136 N -1.64 0.00 -2.34 2.13 8.25 -0.56 -5.05 115.22 116.02 2jyn n HIS 136 Ca 0.07 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.51 2jyn n HIS 136 Cb 0.36 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.47 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 1.10 -0.65 0.00 -1.41 0.00 0.18 -5.00 105.19 99.40 2jyn n GLY 137 Ca 0.08 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.63 1.35 0.00 0.99 7.99 0.55 -4.61 117.00 121.65 2jyn n LEU 138 Ca -0.01 -1.35 0.00 0.00 -0.01 0.00 0.00 56.01 54.64 2jyn n LEU 138 Cb 0.51 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.82 2jyn n LEU 138 CO 0.28 0.34 0.37 -0.46 -1.51 0.00 0.00 177.39 176.41 2jyn n ASN 139 N -0.25 0.97 0.20 -1.43 0.23 -1.26 -4.43 115.26 109.28 2jyn n ASN 139 Ca 0.00 -1.48 0.06 0.00 -0.53 0.00 0.00 54.58 52.63 2jyn n ASN 139 Cb 0.19 0.00 0.42 0.00 -2.08 0.00 0.00 39.78 38.31 2jyn n ASN 139 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 2jyn h ASP 140 N 0.00 0.00 0.51 0.53 3.58 -1.91 -2.63 116.42 116.50 2jyn h ASP 140 Ca 0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 2jyn h ASP 140 Cb 0.74 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.79 2jyn h ASP 140 CO 0.00 0.33 -0.15 4.11 -2.88 0.00 0.00 179.24 180.65 2jyn h TRP 141 N 0.00 0.00 0.02 0.28 5.08 -1.92 -2.89 115.95 116.52 2jyn h TRP 141 Ca -0.00 0.00 -0.21 0.00 1.08 0.00 0.00 58.89 59.76 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 0.15 -0.94 0.82 -1.28 0.00 0.00 178.44 177.20 2jyn h ILE 142 N 0.00 1.52 0.00 0.12 2.04 -1.84 -3.04 117.51 116.32 2jyn h ILE 142 Ca -0.00 -2.77 -0.05 0.00 1.00 0.00 0.00 64.86 63.03 2jyn h ILE 142 Cb 0.45 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 2jyn h ILE 142 CO 0.02 0.81 -0.25 -0.37 0.00 0.00 0.00 178.15 178.36 2jyn h VAL 143 N 0.09 0.87 -0.18 1.67 -1.51 -1.57 -2.36 116.25 113.26 2jyn h VAL 143 Ca -0.05 -0.96 -0.07 0.00 -1.23 0.00 0.00 66.70 64.39 2jyn h VAL 143 Cb 1.60 1.57 -0.04 0.00 -2.13 0.00 0.00 31.29 32.28 2jyn h VAL 143 CO 0.14 0.24 -0.18 0.61 -1.23 0.00 0.00 177.57 177.15 2jyn n GLY 144 N -0.44 4.86 0.15 5.19 0.00 -1.24 -4.30 105.19 109.40 2jyn n GLY 144 Ca -0.01 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 2jyn n GLY 144 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2jyn h GLN 145 N 0.95 0.43 0.00 1.61 5.75 -1.29 -3.51 115.11 119.05 2jyn h GLN 145 Ca 0.09 -0.23 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 2jyn h GLN 145 Cb 1.33 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.90 2jyn h GLN 145 CO 0.19 0.81 0.00 0.36 -2.65 0.00 0.00 178.83 177.54