#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 -2.45 -4.69 6.12 7.64 -1.26 -5.00 113.62 113.98 2jyn n SER 2 Ca 0.00 1.00 -0.35 0.00 1.01 0.00 0.00 58.87 60.53 2jyn n SER 2 Cb 0.00 -3.86 0.11 0.00 -1.01 0.00 0.00 64.21 59.45 2jyn n SER 2 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2jyn n THR 3 N 1.17 2.86 0.93 0.44 5.66 -1.26 -4.95 114.28 119.13 2jyn n THR 3 Ca -0.22 -0.30 0.13 0.00 -3.05 0.00 0.00 64.05 60.62 2jyn n THR 3 Cb 0.33 -1.27 0.47 0.00 -1.55 0.00 0.00 70.33 68.32 2jyn n THR 3 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 2jyn n PHE 4 N -2.87 0.15 -1.65 1.09 -1.74 -1.26 -4.81 117.46 106.36 2jyn n PHE 4 Ca 0.14 0.04 -0.32 0.00 -0.56 0.00 0.00 57.45 56.75 2jyn n PHE 4 Cb 0.50 -0.50 -0.04 0.00 1.52 0.00 0.00 39.48 40.96 2jyn n PHE 4 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 2jyn s ASN 5 N -3.26 4.49 -0.05 5.98 -0.87 -1.26 -4.77 114.94 115.20 2jyn s ASN 5 Ca 0.12 0.74 0.11 0.00 -1.57 0.00 0.00 52.86 52.26 2jyn s ASN 5 Cb 0.17 -2.51 0.40 0.00 -0.02 0.00 0.00 41.25 39.29 2jyn s ASN 5 CO 0.59 -2.97 1.26 0.00 -2.57 0.00 0.00 177.10 173.42 2jyn n ALA 6 N 15.84 2.75 -1.68 0.60 0.00 -1.26 -4.92 120.51 131.84 2jyn n ALA 6 Ca 0.36 -0.85 -0.42 0.00 0.00 0.00 0.00 53.44 52.53 2jyn n ALA 6 Cb 0.52 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.65 4.04 -0.10 0.00 0.41 -1.26 -4.99 118.70 115.15 2jyn s GLU 7 Ca 0.29 2.54 0.01 0.00 -0.41 0.00 0.00 54.97 57.39 2jyn s GLU 7 Cb 0.18 -4.18 0.02 0.00 -1.78 0.00 0.00 34.13 28.37 2jyn s GLU 7 CO 0.15 -1.07 -0.10 0.95 -0.49 0.00 0.00 175.26 174.70 2jyn s THR 8 N 4.83 1.14 -0.32 3.63 -4.23 -1.26 -4.95 115.64 114.48 2jyn s THR 8 Ca 0.89 -0.40 -0.05 0.00 -1.18 0.00 0.00 61.69 60.96 2jyn s THR 8 Cb -0.41 -1.11 0.01 0.00 1.34 0.00 0.00 72.50 72.33 2jyn s THR 8 CO 0.40 0.38 0.15 0.00 -0.54 0.00 0.00 174.62 175.02 2jyn n ALA 9 N 4.55 -3.27 -3.00 3.99 0.00 -1.26 -5.08 120.51 116.45 2jyn n ALA 9 Ca -0.16 0.63 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2jyn n ALA 9 Cb 0.51 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 0.49 0.00 -4.61 0.00 2.03 -1.26 -5.13 116.55 108.07 2jyn n ASP 10 Ca 0.03 -0.36 -0.37 0.00 0.52 0.00 0.00 54.79 54.60 2jyn n ASP 10 Cb 0.15 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.62 2jyn n ASP 10 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2jyn n ASN 11 N -1.04 0.65 0.28 1.67 4.13 -1.26 -4.75 115.26 114.94 2jyn n ASN 11 Ca 0.00 0.75 0.15 0.00 1.68 0.00 0.00 54.58 57.16 2jyn n ASN 11 Cb 0.00 -1.39 0.79 0.00 -1.54 0.00 0.00 39.78 37.64 2jyn n ASN 11 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2jyn h LEU 12 N 0.23 0.00 -0.86 3.41 3.38 -2.01 -0.34 115.31 119.12 2jyn h LEU 12 Ca -0.48 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.39 2jyn h LEU 12 Cb 1.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 2jyn h LEU 12 CO 0.49 0.08 -0.15 1.05 0.09 0.00 0.00 178.44 180.01 2jyn h GLU 13 N 0.00 0.68 0.08 1.13 9.09 -1.98 -1.43 114.58 122.16 2jyn h GLU 13 Ca -0.00 -0.23 -0.25 0.00 0.05 0.00 0.00 59.36 58.93 2jyn h GLU 13 Cb 0.31 -0.05 -0.00 0.00 -1.65 0.00 0.00 28.75 27.36 2jyn h GLU 13 CO 0.01 0.80 -1.14 0.22 0.05 0.00 0.00 179.01 178.95 2jyn h ASP 14 N 0.61 0.36 -0.36 3.06 3.58 -1.46 -0.91 116.42 121.31 2jyn h ASP 14 Ca 0.10 -0.37 -0.04 0.00 0.42 0.00 0.00 57.03 57.14 2jyn h ASP 14 Cb 0.61 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 2jyn h ASP 14 CO 0.04 1.26 0.06 0.40 -2.88 0.00 0.00 179.24 178.11 2jyn h ILE 15 N 0.09 1.24 0.00 2.25 1.08 -1.25 -1.16 117.51 119.75 2jyn h ILE 15 Ca -0.10 -0.84 0.00 0.00 -0.39 0.00 0.00 64.86 63.53 2jyn h ILE 15 Cb 1.85 1.10 0.00 0.00 -3.07 0.00 0.00 36.82 36.70 2jyn h ILE 15 CO 0.18 0.28 0.00 -0.33 -0.69 0.00 0.00 178.15 177.59 2jyn h GLU 16 N 0.43 0.00 0.57 2.37 5.08 -1.32 -1.85 114.58 119.85 2jyn h GLU 16 Ca 0.11 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2jyn h GLU 16 Cb 0.36 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.61 2jyn h GLU 16 CO 0.01 0.00 -0.28 -0.22 -1.00 0.00 0.00 179.01 177.52 2jyn h LYS 17 N 0.00 -0.74 -0.12 2.33 3.64 -0.89 -1.20 116.57 119.59 2jyn h LYS 17 Ca 0.00 0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 2jyn h LYS 17 Cb 0.82 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 2jyn h LYS 17 CO 0.00 -0.45 -0.27 -0.56 -2.27 0.00 0.00 179.45 175.90 2jyn h GLN 18 N -1.13 0.21 0.06 1.90 3.07 -1.25 -1.44 115.11 116.52 2jyn h GLN 18 Ca -0.08 -0.07 -0.00 0.00 0.09 0.00 0.00 58.65 58.59 2jyn h GLN 18 Cb 0.63 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.18 2jyn h GLN 18 CO 0.13 0.47 -0.03 0.35 0.09 0.00 0.00 178.83 179.84 2jyn h PHE 19 N 0.19 -0.08 -0.52 0.06 3.57 -1.44 -2.84 116.94 115.89 2jyn h PHE 19 Ca 0.03 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 2jyn h PHE 19 Cb 0.58 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 2jyn h PHE 19 CO 0.01 0.34 0.30 0.00 -2.23 0.00 0.00 178.31 176.73 2jyn h ALA 20 N 0.37 0.66 0.19 2.41 0.00 -0.84 -1.62 119.26 120.43 2jyn h ALA 20 Ca -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2jyn h ALA 20 Cb 0.45 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2jyn h ALA 20 CO 0.01 0.16 -0.09 -0.24 0.00 0.00 0.00 179.25 179.09 2jyn h VAL 21 N 0.69 0.90 -0.08 0.00 3.04 -1.38 -1.67 116.25 117.75 2jyn h VAL 21 Ca 0.18 -0.52 -0.03 0.00 -1.01 0.00 0.00 66.70 65.32 2jyn h VAL 21 Cb 0.01 1.21 -0.01 0.00 -2.01 0.00 0.00 31.29 30.49 2jyn h VAL 21 CO -0.03 0.12 -0.09 -0.37 -1.01 0.00 0.00 177.57 176.19 2jyn h VAL 22 N -0.52 1.11 0.18 1.51 -1.51 -1.43 -0.50 116.25 115.08 2jyn h VAL 22 Ca -0.03 -0.50 -0.31 0.00 -1.23 0.00 0.00 66.70 64.63 2jyn h VAL 22 Cb 0.39 1.16 0.03 0.00 -2.13 0.00 0.00 31.29 30.74 2jyn h VAL 22 CO 0.04 0.15 -1.32 0.00 -1.23 0.00 0.00 177.57 175.21 2jyn h ALA 23 N 1.80 -0.08 0.00 5.19 0.00 -1.22 -1.38 119.26 123.57 2jyn h ALA 23 Ca 0.03 -0.80 -0.19 0.00 0.00 0.00 0.00 54.91 53.95 2jyn h ALA 23 Cb 0.24 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2jyn h ALA 23 CO 0.01 0.67 -0.89 -0.39 0.00 0.00 0.00 179.25 178.66 2jyn h VAL 24 N 0.20 1.56 -0.47 0.00 -1.51 -1.16 -1.45 116.25 113.42 2jyn h VAL 24 Ca -0.22 -3.12 -0.09 0.00 -1.23 0.00 0.00 66.70 62.04 2jyn h VAL 24 Cb 2.01 2.72 -0.02 0.00 -2.13 0.00 0.00 31.29 33.87 2jyn h VAL 24 CO 0.25 0.87 -0.07 -0.33 -1.23 0.00 0.00 177.57 177.06 2jyn h GLU 25 N 0.00 0.82 -0.07 5.19 5.08 -1.15 -1.85 114.58 122.60 2jyn h GLU 25 Ca -0.01 -0.26 -0.14 0.00 -1.00 0.00 0.00 59.36 57.96 2jyn h GLU 25 Cb 1.65 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.81 2jyn h GLU 25 CO 0.12 0.87 -0.58 0.37 -1.00 0.00 0.00 179.01 178.78 2jyn h GLN 26 N 0.75 0.21 -0.20 2.33 5.75 -1.14 -0.98 115.11 121.83 2jyn h GLN 26 Ca 0.13 -0.14 -0.06 0.00 -0.15 0.00 0.00 58.65 58.44 2jyn h GLN 26 Cb 0.55 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.11 2jyn h GLN 26 CO 0.03 0.73 -0.10 0.00 -2.65 0.00 0.00 178.83 176.84 2jyn h ALA 27 N 1.24 0.28 -0.16 3.38 0.00 -1.07 -0.90 119.26 122.03 2jyn h ALA 27 Ca -0.00 -0.29 -0.21 0.00 0.00 0.00 0.00 54.91 54.41 2jyn h ALA 27 Cb 1.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2jyn h ALA 27 CO 0.09 0.12 -0.72 1.05 0.00 0.00 0.00 179.25 179.79 2jyn h GLU 28 N 0.12 0.72 -0.49 0.00 4.11 -1.35 -2.71 114.58 114.98 2jyn h GLU 28 Ca 0.04 -0.56 -0.08 0.00 0.07 0.00 0.00 59.36 58.84 2jyn h GLU 28 Cb 0.59 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 2jyn h GLU 28 CO 0.03 1.17 -0.03 1.15 0.07 0.00 0.00 179.01 181.41 2jyn h THR 29 N 0.50 1.25 0.19 -1.06 2.02 -1.21 -0.52 112.91 114.09 2jyn h THR 29 Ca -0.03 -1.06 0.01 0.00 0.77 0.00 0.00 66.41 66.09 2jyn h THR 29 Cb 1.33 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 2jyn h THR 29 CO 0.14 0.37 -0.30 0.22 0.37 0.00 0.00 175.52 176.32 2jyn h TYR 30 N 0.76 -0.82 -0.41 3.16 3.20 -1.16 0.66 116.97 122.37 2jyn h TYR 30 Ca 0.14 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.06 2jyn h TYR 30 Cb 0.50 0.34 -0.04 0.00 1.54 0.00 0.00 36.73 39.07 2jyn h TYR 30 CO 0.03 -0.42 0.18 2.35 -1.64 0.00 0.00 178.16 178.66 2jyn h TRP 31 N -0.57 0.33 -0.03 -3.82 2.91 -1.21 -2.75 115.95 110.81 2jyn h TRP 31 Ca 0.01 0.02 -0.15 0.00 1.13 0.00 0.00 58.89 59.90 2jyn h TRP 31 Cb 0.56 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 29.11 2jyn h TRP 31 CO -0.24 0.16 -0.65 0.87 -1.03 0.00 0.00 178.44 177.55 2jyn h LYS 32 N 0.37 0.13 -0.26 2.65 1.79 -0.96 -1.67 116.57 118.62 2jyn h LYS 32 Ca 0.18 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 58.54 2jyn h LYS 32 Cb 0.12 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 2jyn h LYS 32 CO -0.15 0.73 0.11 -0.07 -1.08 0.00 0.00 179.45 179.00 2jyn h LEU 33 N 0.09 0.36 -0.05 2.94 3.38 -0.66 -2.37 115.31 119.00 2jyn h LEU 33 Ca -0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2jyn h LEU 33 Cb 1.16 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 2jyn h LEU 33 CO 0.09 0.41 -0.02 -0.07 0.09 0.00 0.00 178.44 178.95 2jyn h LEU 34 N 0.28 0.11 -2.03 1.67 4.07 -1.37 -0.62 115.31 117.41 2jyn h LEU 34 Ca 0.09 -0.38 0.05 0.00 0.08 0.00 0.00 57.88 57.72 2jyn h LEU 34 Cb 0.16 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 2jyn h LEU 34 CO -0.01 0.46 0.13 0.71 -1.08 0.00 0.00 178.44 178.65 2jyn h THR 35 N -0.25 0.87 0.00 0.22 1.35 -1.31 -2.91 112.91 110.88 2jyn h THR 35 Ca 0.01 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.83 2jyn h THR 35 Cb 0.42 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 67.74 2jyn h THR 35 CO 0.01 0.00 -0.28 0.28 -0.25 0.00 0.00 175.52 175.27 2jyn h SER 36 N 0.00 0.00 -3.91 5.36 0.02 -1.37 -3.47 113.55 110.18 2jyn h SER 36 Ca 0.08 -0.45 -0.33 0.00 -0.84 0.00 0.00 61.79 60.25 2jyn h SER 36 Cb 0.33 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 62.59 2jyn h SER 36 CO -0.00 0.88 -0.76 0.68 -1.14 0.00 0.00 176.83 176.49 2jyn s VAL 37 N -2.03 0.45 1.03 2.27 -7.23 -0.25 -5.11 120.40 109.53 2jyn s VAL 37 Ca -0.14 -0.24 -0.11 0.00 -1.81 0.00 0.00 61.98 59.68 2jyn s VAL 37 Cb 0.00 -0.39 0.21 0.00 0.56 0.00 0.00 36.38 36.77 2jyn s VAL 37 CO 0.38 0.13 1.09 -2.84 -0.31 0.00 0.00 175.10 173.55 2jyn s PRO 38 N -0.11 0.10 0.00 4.82 0.02 -1.26 -3.72 135.00 134.86 2jyn s PRO 38 Ca 0.02 1.26 0.18 0.00 0.02 0.00 0.00 61.00 62.48 2jyn s PRO 38 Cb -0.02 -1.64 1.07 0.00 0.02 0.00 0.00 34.50 33.92 2jyn s PRO 38 CO -0.00 -3.16 1.47 0.41 -0.33 0.00 0.00 177.00 175.39 2jyn n GLY 39 N 0.54 -0.59 0.34 0.52 0.00 -1.26 -3.60 105.19 101.15 2jyn n GLY 39 Ca 0.08 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.07 2jyn n GLY 39 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jyn h SER 40 N 0.00 0.54 0.00 1.61 0.02 -1.94 -2.97 113.55 110.80 2jyn h SER 40 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jyn h SER 40 Cb 0.00 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.43 2jyn h SER 40 CO 0.00 0.35 -0.38 2.29 -1.14 0.00 0.00 176.83 177.94 2jyn n LYS 41 N -4.48 4.44 -2.86 3.45 0.00 -1.24 -4.97 118.16 112.50 2jyn n LYS 41 Ca 0.09 -0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.97 2jyn n LYS 41 Cb 0.25 -0.85 -0.04 0.00 -0.00 0.00 0.00 35.03 34.38 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 -2.39 4.04 0.22 -5.58 1.43 -1.12 -5.04 118.68 110.24 2jyn s LEU 42 Ca 0.02 0.47 0.10 0.00 -1.03 0.00 0.00 54.13 53.70 2jyn s LEU 42 Cb 0.05 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 2jyn s LEU 42 CO 0.30 -0.83 -0.13 0.00 0.23 0.00 0.00 176.35 175.91 2jyn s ARG 43 N 3.37 1.90 -0.16 1.70 1.04 -1.26 -4.86 118.95 120.68 2jyn s ARG 43 Ca 0.36 -1.47 -0.15 0.00 -1.04 0.00 0.00 55.73 53.43 2jyn s ARG 43 Cb -0.12 -2.00 -0.23 0.00 -2.04 0.00 0.00 34.95 30.56 2jyn s ARG 43 CO 0.19 0.39 0.33 -0.07 -0.04 0.00 0.00 175.30 176.09 2jyn h LEU 44 N 2.63 0.21 0.00 -1.89 -0.00 -1.98 -3.50 115.31 110.78 2jyn h LEU 44 Ca -0.45 -0.73 0.00 0.00 -0.00 0.00 0.00 57.88 56.71 2jyn h LEU 44 Cb 1.23 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 2jyn h LEU 44 CO 0.55 1.64 0.00 0.35 -0.00 0.00 0.00 178.44 180.98 2jyn n THR 45 N -4.02 0.00 0.08 0.22 -2.24 -1.26 -5.02 114.28 102.04 2jyn n THR 45 Ca -0.31 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.42 2jyn n THR 45 Cb 0.85 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.01 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 -0.56 -0.78 3.64 -1.98 -3.36 116.57 113.54 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 0.91 0.00 1.19 -2.27 0.00 0.00 179.45 179.28 2jyn n PHE 47 N -3.43 0.81 0.03 1.91 3.72 -1.26 -4.62 117.46 114.62 2jyn n PHE 47 Ca -0.00 -0.52 0.03 0.00 -0.05 0.00 0.00 57.45 56.91 2jyn n PHE 47 Cb 0.87 -0.04 0.40 0.00 -0.94 0.00 0.00 39.48 39.77 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 3.29 0.43 -0.44 4.37 3.04 -1.96 -2.07 116.42 123.07 2jyn h ASP 48 Ca 0.00 -0.04 -0.08 0.00 -3.24 0.00 0.00 57.03 53.68 2jyn h ASP 48 Cb 0.93 -0.11 -0.02 0.00 -1.04 0.00 0.00 39.33 39.10 2jyn h ASP 48 CO 0.02 0.39 -0.02 -0.78 -2.04 0.00 0.00 179.24 176.81 2jyn h ASP 49 N 0.48 0.79 0.82 4.15 3.58 -1.90 -2.41 116.42 121.92 2jyn h ASP 49 Ca 0.12 -0.32 -0.11 0.00 0.42 0.00 0.00 57.03 57.15 2jyn h ASP 49 Cb 0.09 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 2jyn h ASP 49 CO -0.01 0.92 -0.51 1.05 -2.88 0.00 0.00 179.24 177.80 2jyn h GLU 50 N 0.64 0.00 -0.66 0.28 4.11 -1.84 -2.60 114.58 114.50 2jyn h GLU 50 Ca 0.12 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.56 2jyn h GLU 50 Cb 0.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 2jyn h GLU 50 CO 0.03 0.51 0.44 0.82 0.07 0.00 0.00 179.01 180.87 2jyn h ILE 51 N 0.00 1.17 -0.05 -1.06 2.04 -1.08 -1.11 117.51 117.42 2jyn h ILE 51 Ca -0.01 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 2jyn h ILE 51 Cb 1.06 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2jyn h ILE 51 CO 0.07 0.17 0.02 0.22 0.00 0.00 0.00 178.15 178.62 2jyn h TYR 52 N 0.90 0.07 -0.06 1.37 3.20 -1.28 -2.00 116.97 119.17 2jyn h TYR 52 Ca 0.24 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 2jyn h TYR 52 Cb -0.10 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 2jyn h TYR 52 CO -0.03 0.17 0.02 0.93 -1.64 0.00 0.00 178.16 177.61 2jyn h GLU 53 N -0.05 0.09 0.00 1.82 5.08 -1.34 -1.97 114.58 118.22 2jyn h GLU 53 Ca 0.02 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2jyn h GLU 53 Cb 0.13 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2jyn h GLU 53 CO -0.00 0.27 -0.14 -0.91 -1.00 0.00 0.00 179.01 177.23 2jyn h ASN 54 N -0.10 0.00 -0.19 1.42 2.35 -1.28 -2.41 115.58 115.36 2jyn h ASN 54 Ca 0.02 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.65 2jyn h ASN 54 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2jyn h ASN 54 CO -0.00 0.14 -0.35 0.15 -1.65 0.00 0.00 177.43 175.72 2jyn h PHE 55 N 0.00 0.72 0.00 1.19 3.57 -0.94 -2.07 116.94 119.42 2jyn h PHE 55 Ca -0.00 -0.26 -0.04 0.00 3.53 0.00 0.00 57.97 61.20 2jyn h PHE 55 Cb 0.50 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 2jyn h PHE 55 CO 0.00 1.00 -0.21 0.00 -2.23 0.00 0.00 178.31 176.87 2jyn h MET 56 N 0.24 0.00 0.04 1.11 -0.00 -1.01 -0.62 114.93 114.69 2jyn h MET 56 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.71 2jyn h MET 56 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.55 2jyn h MET 56 CO 0.08 0.21 -0.02 0.93 -0.00 0.00 0.00 176.91 178.11 2jyn h GLU 57 N 0.00 -0.05 0.00 -0.10 4.39 -1.49 -3.38 114.58 113.95 2jyn h GLU 57 Ca -0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 2jyn h GLU 57 Cb 0.87 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 2jyn h GLU 57 CO 0.03 0.41 -0.41 0.00 -1.16 0.00 0.00 179.01 177.87 2jyn h ARG 58 N -0.98 0.00 -3.45 2.33 -0.00 -1.40 -3.37 114.38 107.52 2jyn h ARG 58 Ca -0.01 0.00 -0.64 0.00 -0.50 0.00 0.00 59.98 58.83 2jyn h ARG 58 Cb 0.49 0.00 -0.41 0.00 0.00 0.00 0.00 29.97 30.05 2jyn h ARG 58 CO 0.01 0.41 -0.63 -0.06 0.00 0.00 0.00 179.97 179.70 2jyn s PHE 59 N -3.47 3.21 -2.39 3.04 0.40 -0.24 -4.98 117.98 113.55 2jyn s PHE 59 Ca 0.01 -3.17 0.27 0.00 -0.60 0.00 0.00 56.93 53.44 2jyn s PHE 59 Cb 0.10 -2.83 1.08 0.00 0.51 0.00 0.00 43.02 41.89 2jyn s PHE 59 CO 0.70 -0.75 1.76 -0.35 0.70 0.00 0.00 175.22 177.27 2jyn n PRO 60 N 3.16 1.59 0.02 0.24 -0.04 -1.26 -3.28 135.00 135.44 2jyn n PRO 60 Ca 0.05 -0.86 -0.19 0.00 -0.04 0.00 0.00 63.50 62.46 2jyn n PRO 60 Cb 0.33 -1.46 -0.14 0.00 -0.04 0.00 0.00 33.50 32.18 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 2.02 0.24 -0.10 0.54 9.09 -1.93 -3.38 114.58 121.06 2jyn h GLU 61 Ca 0.00 -0.42 -0.03 0.00 0.05 0.00 0.00 59.36 58.96 2jyn h GLU 61 Cb 0.43 0.16 -0.01 0.00 -1.65 0.00 0.00 28.75 27.68 2jyn h GLU 61 CO 0.00 1.10 -0.08 -0.92 0.05 0.00 0.00 179.01 179.16 2jyn h TYR 62 N 0.07 0.14 -1.07 2.06 3.20 -1.89 -3.25 116.97 116.24 2jyn h TYR 62 Ca -0.35 -0.01 0.31 0.00 3.14 0.00 0.00 58.73 61.82 2jyn h TYR 62 Cb 2.04 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 40.22 2jyn h TYR 62 CO 0.07 0.23 0.78 1.57 -1.64 0.00 0.00 178.16 179.17 2jyn h LYS 63 N 0.14 0.00 -6.55 1.82 2.10 -1.74 -3.22 116.57 109.12 2jyn h LYS 63 Ca 0.03 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.16 2jyn h LYS 63 Cb 0.23 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 31.60 2jyn h LYS 63 CO 0.01 0.00 0.98 -0.51 -2.00 0.00 0.00 179.45 177.93 2jyn s ASP 64 N -5.27 6.54 0.58 7.07 1.11 -1.23 -4.90 116.67 120.58 2jyn s ASP 64 Ca -0.05 2.63 0.28 0.00 0.18 0.00 0.00 52.55 55.60 2jyn s ASP 64 Cb 0.22 -2.58 1.77 0.00 1.07 0.00 0.00 42.92 43.40 2jyn s ASP 64 CO 0.78 -0.90 2.25 0.58 1.18 0.00 0.00 175.17 179.06 2jyn h VAL 65 N 4.36 0.58 -0.25 -1.27 2.07 -1.94 0.18 116.25 119.98 2jyn h VAL 65 Ca -0.43 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 66.89 2jyn h VAL 65 Cb 1.21 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2jyn h VAL 65 CO 0.93 0.00 -0.60 -0.33 0.02 0.00 0.00 177.57 177.59 2jyn h GLU 66 N 0.00 0.84 0.00 1.57 5.08 -1.90 -1.60 114.58 118.56 2jyn h GLU 66 Ca 0.00 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 2jyn h GLU 66 Cb 0.00 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2jyn h GLU 66 CO -0.00 1.19 0.00 0.00 -1.00 0.00 0.00 179.01 179.20 2jyn h ARG 67 N 0.63 0.00 0.03 2.33 2.47 -0.91 -2.32 114.38 116.61 2jyn h ARG 67 Ca -0.00 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.61 2jyn h ARG 67 Cb 1.21 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.54 2jyn h ARG 67 CO 0.13 0.00 -0.46 0.28 0.56 0.00 0.00 179.97 180.48 2jyn h VAL 68 N 0.00 1.52 -0.11 2.04 2.07 -1.01 -3.39 116.25 117.37 2jyn h VAL 68 Ca 0.00 -2.13 -0.16 0.00 0.82 0.00 0.00 66.70 65.23 2jyn h VAL 68 Cb 0.59 2.84 0.01 0.00 -1.52 0.00 0.00 31.29 33.21 2jyn h VAL 68 CO 0.00 0.60 -0.55 0.07 0.02 0.00 0.00 177.57 177.71 2jyn h LYS 69 N -0.38 0.57 -4.70 1.57 2.10 -1.13 -3.45 116.57 111.14 2jyn h LYS 69 Ca -0.06 -0.46 -0.25 0.00 -2.00 0.00 0.00 60.65 57.87 2jyn h LYS 69 Cb 1.23 0.10 -0.16 0.00 -0.90 0.00 0.00 32.23 32.49 2jyn h LYS 69 CO 0.09 1.09 -0.71 -1.59 -2.00 0.00 0.00 179.45 176.33 2jyn s LYS 70 N -3.69 0.80 0.25 0.07 0.00 -0.89 -0.66 119.74 115.62 2jyn s LYS 70 Ca -0.12 -1.22 -0.05 0.00 0.00 0.00 0.00 55.97 54.57 2jyn s LYS 70 Cb 0.06 -0.29 0.02 0.00 0.00 0.00 0.00 37.83 37.62 2jyn s LYS 70 CO 0.84 0.01 0.42 1.97 0.00 0.00 0.00 175.35 178.59 2jyn n PHE 71 N 0.28 -1.49 -4.38 1.78 1.16 -0.53 -4.32 117.46 109.95 2jyn n PHE 71 Ca -0.14 -1.40 -0.23 0.00 -1.87 0.00 0.00 57.45 53.80 2jyn n PHE 71 Cb 0.59 0.48 -0.11 0.00 -1.61 0.00 0.00 39.48 38.84 2jyn n PHE 71 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 2jyn s THR 72 N -2.56 2.05 0.23 1.97 2.01 -1.26 -4.78 115.64 113.30 2jyn s THR 72 Ca 0.15 -2.08 0.02 0.00 0.31 0.00 0.00 61.69 60.09 2jyn s THR 72 Cb -0.02 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 2jyn s THR 72 CO 0.11 -0.33 1.57 1.05 -0.69 0.00 0.00 174.62 176.33 2jyn h GLU 73 N 2.96 0.36 -0.51 4.92 4.11 -1.98 -3.32 114.58 121.13 2jyn h GLU 73 Ca -0.42 -0.23 -0.05 0.00 0.07 0.00 0.00 59.36 58.73 2jyn h GLU 73 Cb 1.22 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 2jyn h GLU 73 CO 0.54 0.81 0.09 0.93 0.07 0.00 0.00 179.01 181.45 2jyn h GLU 74 N 0.28 0.79 0.00 1.06 5.08 -1.97 -0.96 114.58 118.86 2jyn h GLU 74 Ca 0.01 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2jyn h GLU 74 Cb 1.04 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2jyn h GLU 74 CO 0.09 0.74 0.00 -0.85 -1.00 0.00 0.00 179.01 177.99 2jyn n GLU 75 N -4.26 0.23 -0.11 2.33 0.28 -1.25 -3.06 120.64 114.80 2jyn n GLU 75 Ca 0.03 0.03 -0.12 0.00 -0.16 0.00 0.00 57.16 56.95 2jyn n GLU 75 Cb 0.24 -1.50 -0.15 0.00 1.43 0.00 0.00 31.44 31.46 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 -1.37 0.73 -0.22 -1.84 4.77 -0.56 -4.47 117.00 114.03 2jyn n LEU 76 Ca 0.10 -0.03 0.15 0.00 -0.03 0.00 0.00 56.01 56.20 2jyn n LEU 76 Cb 0.26 0.15 0.74 0.00 -2.33 0.00 0.00 43.42 42.25 2jyn n LEU 76 CO 0.23 0.61 0.99 0.29 -1.33 0.00 0.00 177.39 178.18 2jyn n LYS 77 N -2.87 1.30 -2.29 3.23 5.02 -0.47 -3.70 118.16 118.38 2jyn n LYS 77 Ca -0.36 -0.44 -0.32 0.00 -2.02 0.00 0.00 58.31 55.17 2jyn n LYS 77 Cb 1.12 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 34.62 2jyn n LYS 77 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2jyn s THR 78 N -2.00 4.33 0.24 -0.18 -1.32 -1.18 -4.93 115.64 110.59 2jyn s THR 78 Ca 0.43 1.11 -0.05 0.00 -1.21 0.00 0.00 61.69 61.96 2jyn s THR 78 Cb 0.21 -3.63 0.20 0.00 -1.51 0.00 0.00 72.50 67.77 2jyn s THR 78 CO 0.35 -0.65 1.77 0.50 -2.21 0.00 0.00 174.62 174.38 2jyn h LYS 79 N 0.76 0.58 -0.61 7.08 3.64 -1.95 -2.23 116.57 123.84 2jyn h LYS 79 Ca -0.47 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 2jyn h LYS 79 Cb 1.19 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 2jyn h LYS 79 CO 0.60 0.39 0.32 0.93 -2.27 0.00 0.00 179.45 179.42 2jyn h GLU 80 N 0.60 0.86 -0.21 1.90 3.07 -1.94 -2.50 114.58 116.36 2jyn h GLU 80 Ca 0.38 -0.11 -0.18 0.00 -0.50 0.00 0.00 59.36 58.95 2jyn h GLU 80 Cb 0.45 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 2jyn h GLU 80 CO -0.30 0.66 -0.59 0.00 -1.40 0.00 0.00 179.01 177.38 2jyn h ALA 81 N 1.15 0.35 0.00 3.43 0.00 -1.70 -1.18 119.26 121.31 2jyn h ALA 81 Ca 0.21 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 2jyn h ALA 81 Cb 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2jyn h ALA 81 CO -0.03 0.59 -0.47 0.87 0.00 0.00 0.00 179.25 180.21 2jyn h LYS 82 N 0.50 0.00 -0.47 0.00 1.57 -1.36 0.31 116.57 117.12 2jyn h LYS 82 Ca -0.01 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 2jyn h LYS 82 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 2jyn h LYS 82 CO 0.13 0.47 -0.14 0.93 -0.57 0.00 0.00 179.45 180.27 2jyn h GLU 83 N 0.00 0.92 -0.08 3.15 5.08 -1.38 -2.66 114.58 119.61 2jyn h GLU 83 Ca -0.00 -0.36 -0.05 0.00 -1.00 0.00 0.00 59.36 57.94 2jyn h GLU 83 Cb 0.86 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2jyn h GLU 83 CO 0.06 1.02 -0.17 0.00 -1.00 0.00 0.00 179.01 178.92 2jyn h ARG 84 N 0.76 0.13 -0.52 2.33 3.08 -0.16 -0.54 114.38 119.45 2jyn h ARG 84 Ca 0.11 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 2jyn h ARG 84 Cb 0.69 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 2jyn h ARG 84 CO 0.05 0.30 -0.05 -1.49 -1.07 0.00 0.00 179.97 177.72 2jyn h TRP 85 N 0.12 1.00 -0.06 3.04 4.06 -0.32 0.81 115.95 124.60 2jyn h TRP 85 Ca 0.02 -0.17 -0.01 0.00 2.06 0.00 0.00 58.89 60.79 2jyn h TRP 85 Cb 0.38 -0.26 -0.00 0.00 -1.00 0.00 0.00 29.16 28.28 2jyn h TRP 85 CO 0.00 0.92 0.01 -0.09 -3.56 0.00 0.00 178.44 175.73 2jyn h ARG 86 N 0.84 0.10 -0.29 0.49 2.43 -1.04 -1.25 114.38 115.66 2jyn h ARG 86 Ca 0.15 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2jyn h ARG 86 Cb 0.56 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 2jyn h ARG 86 CO 0.03 0.33 0.10 0.87 -1.51 0.00 0.00 179.97 179.79 2jyn h LYS 87 N -0.14 0.41 -0.10 0.20 6.56 -0.99 0.14 116.57 122.65 2jyn h LYS 87 Ca 0.02 -0.05 -0.11 0.00 -1.06 0.00 0.00 60.65 59.45 2jyn h LYS 87 Cb 0.27 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 31.86 2jyn h LYS 87 CO 0.00 0.36 -0.37 0.35 -2.06 0.00 0.00 179.45 177.73 2jyn h PHE 88 N 0.41 0.57 -0.40 -1.35 3.57 -0.78 -3.20 116.94 115.76 2jyn h PHE 88 Ca 0.10 -0.24 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 2jyn h PHE 88 Cb 0.11 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 2jyn h PHE 88 CO 0.00 0.98 0.23 0.35 -2.23 0.00 0.00 178.31 177.64 2jyn h PHE 89 N 0.00 0.55 0.00 0.41 3.57 -0.94 -3.11 116.94 117.42 2jyn h PHE 89 Ca -0.02 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2jyn h PHE 89 Cb 1.00 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.57 2jyn h PHE 89 CO 0.12 0.41 0.00 1.79 -2.23 0.00 0.00 178.31 178.40 2jyn h THR 90 N 0.52 0.00 -0.01 4.41 1.35 -0.98 0.46 112.91 118.67 2jyn h THR 90 Ca 0.14 -0.09 -0.03 0.00 -0.55 0.00 0.00 66.41 65.88 2jyn h THR 90 Cb 0.04 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 67.18 2jyn h THR 90 CO -0.02 0.00 -0.13 0.40 -0.25 0.00 0.00 175.52 175.52 2jyn h ILE 91 N 0.00 1.56 -0.61 6.82 2.04 -1.54 -3.38 117.51 122.40 2jyn h ILE 91 Ca 0.00 -1.82 0.00 0.00 1.00 0.00 0.00 64.86 64.04 2jyn h ILE 91 Cb 0.13 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 2jyn h ILE 91 CO 0.00 0.49 0.00 0.49 0.00 0.00 0.00 178.15 179.13 2jyn n PHE 92 N -4.62 1.36 0.13 1.37 3.72 0.40 -4.35 117.46 115.47 2jyn n PHE 92 Ca -0.09 -0.62 0.04 0.00 -0.05 0.00 0.00 57.45 56.73 2jyn n PHE 92 Cb 0.43 -0.22 0.45 0.00 -0.94 0.00 0.00 39.48 39.20 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 3.82 0.24 0.00 -1.08 4.11 -0.42 0.13 114.58 121.38 2jyn h GLU 93 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2jyn h GLU 93 Cb 1.38 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2jyn h GLU 93 CO 0.20 0.29 -0.59 0.87 0.07 0.00 0.00 179.01 179.86 2jyn h LYS 94 N 0.24 0.00 0.00 1.06 1.57 -1.86 -3.41 116.57 114.17 2jyn h LYS 94 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2jyn h LYS 94 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2jyn h LYS 94 CO 0.01 0.00 -1.00 0.36 -0.57 0.00 0.00 179.45 178.25 2jyn n LYS 95 N -2.63 0.00 -3.42 3.15 0.00 -1.12 -4.90 118.16 109.23 2jyn n LYS 95 Ca 0.02 0.00 -0.44 0.00 -0.00 0.00 0.00 58.31 57.89 2jyn n LYS 95 Cb 0.51 -0.97 -0.05 0.00 -0.00 0.00 0.00 35.03 34.52 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 -2.00 5.04 0.08 0.58 -1.09 0.43 -4.89 121.20 119.35 2jyn s ILE 96 Ca 0.00 -2.29 -0.09 0.00 -2.23 0.00 0.00 60.65 56.04 2jyn s ILE 96 Cb 0.00 -4.18 -0.27 0.00 -1.58 0.00 0.00 42.46 36.43 2jyn s ILE 96 CO 0.00 -0.94 1.15 -0.08 -1.23 0.00 0.00 174.94 173.84 2jyn h GLU 97 N 7.94 0.44 -1.00 2.79 4.81 -1.80 -3.34 114.58 124.42 2jyn h GLU 97 Ca -0.03 -0.62 -0.06 0.00 -0.13 0.00 0.00 59.36 58.52 2jyn h GLU 97 Cb 1.04 0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 2jyn h GLU 97 CO 0.81 1.27 0.07 -0.25 -0.73 0.00 0.00 179.01 180.18 2jyn n ASP 98 N -3.68 3.00 0.08 1.04 8.00 -1.26 -4.28 116.55 119.44 2jyn n ASP 98 Ca -0.11 -2.18 0.01 0.00 0.71 0.00 0.00 54.79 53.23 2jyn n ASP 98 Cb 0.98 -0.54 0.36 0.00 -0.02 0.00 0.00 41.12 41.89 2jyn n ASP 98 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2jyn h TYR 99 N 0.14 0.35 -0.44 1.24 -0.00 -1.95 -2.82 116.97 113.48 2jyn h TYR 99 Ca 0.07 -0.04 0.00 0.00 -0.00 0.00 0.00 58.73 58.76 2jyn h TYR 99 Cb 1.18 -0.10 0.00 0.00 -0.00 0.00 0.00 36.73 37.81 2jyn h TYR 99 CO 0.18 0.43 0.00 0.27 -0.00 0.00 0.00 178.16 179.04 2jyn n ASN 100 N -4.27 3.72 0.13 0.10 0.23 -1.26 0.37 115.26 114.28 2jyn n ASN 100 Ca -0.00 -2.40 0.01 0.00 -0.53 0.00 0.00 54.58 51.66 2jyn n ASN 100 Cb 0.26 -0.52 0.33 0.00 -2.08 0.00 0.00 39.78 37.77 2jyn n ASN 100 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 2jyn h PHE 101 N 2.86 0.19 -1.23 -2.53 3.57 -1.84 -3.47 116.94 114.50 2jyn h PHE 101 Ca 0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2jyn h PHE 101 Cb 1.21 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.91 2jyn h PHE 101 CO 0.61 0.44 0.00 0.41 -2.23 0.00 0.00 178.31 177.54 2jyn n GLY 102 N -0.56 -2.33 3.02 2.40 0.00 -1.26 -4.88 105.19 101.58 2jyn n GLY 102 Ca -0.01 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 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 0.07 -0.36 2.61 2.01 -0.49 -4.05 115.64 115.43 2jyn s THR 103 Ca 0.00 -0.58 -0.29 0.00 0.31 0.00 0.00 61.69 61.13 2jyn s THR 103 Cb 0.00 -0.29 -0.00 0.00 0.01 0.00 0.00 72.50 72.22 2jyn s THR 103 CO 0.00 -0.32 1.53 -0.76 -0.69 0.00 0.00 174.62 174.38 2jyn s LEU 104 N -1.02 3.62 -0.23 4.42 1.02 -1.25 -2.02 118.68 123.21 2jyn s LEU 104 Ca -0.11 1.08 -0.13 0.00 0.02 0.00 0.00 54.13 54.99 2jyn s LEU 104 Cb -0.07 -3.54 -0.04 0.00 0.02 0.00 0.00 46.19 42.56 2jyn s LEU 104 CO 0.00 -1.46 0.28 -0.22 0.02 0.00 0.00 176.35 174.97 2jyn s LEU 105 N 5.73 4.12 0.05 1.79 2.96 -0.51 -4.79 118.68 128.03 2jyn s LEU 105 Ca 0.67 0.28 -0.30 0.00 -0.22 0.00 0.00 54.13 54.56 2jyn s LEU 105 Cb -0.18 -2.30 -0.08 0.00 0.50 0.00 0.00 46.19 44.14 2jyn s LEU 105 CO 0.32 -0.02 1.64 -0.13 -1.32 0.00 0.00 176.35 176.84 2jyn s ARG 106 N 1.29 4.20 0.32 1.98 0.52 -1.26 -0.86 118.95 125.14 2jyn s ARG 106 Ca 0.13 2.29 0.24 0.00 -0.52 0.00 0.00 55.73 57.87 2jyn s ARG 106 Cb -0.14 -3.66 1.14 0.00 0.52 0.00 0.00 34.95 32.81 2jyn s ARG 106 CO 0.07 -0.74 1.73 1.79 0.02 0.00 0.00 175.30 178.17 2jyn h THR 107 N 4.93 0.00 -3.66 0.02 1.35 -1.35 -3.41 112.91 110.78 2jyn h THR 107 Ca -0.42 -0.15 -0.20 0.00 -0.55 0.00 0.00 66.41 65.09 2jyn h THR 107 Cb 1.20 0.80 -0.26 0.00 -1.73 0.00 0.00 68.15 68.16 2jyn h THR 107 CO 0.93 0.00 -0.65 -0.62 -0.25 0.00 0.00 175.52 174.93 2jyn s ASP 108 N -4.28 0.00 0.16 5.36 2.15 -1.26 -1.46 116.67 117.35 2jyn s ASP 108 Ca 0.01 -0.03 -0.11 0.00 0.43 0.00 0.00 52.55 52.86 2jyn s ASP 108 Cb 0.08 0.12 0.01 0.00 -0.30 0.00 0.00 42.92 42.83 2jyn s ASP 108 CO 0.32 -0.10 1.57 0.00 -0.17 0.00 0.00 175.17 176.79 2jyn h ALA 109 N 5.65 0.69 -0.47 3.66 0.00 -1.14 -3.07 119.26 124.59 2jyn h ALA 109 Ca -0.26 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.22 2jyn h ALA 109 Cb 1.21 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2jyn h ALA 109 CO 0.46 0.63 0.08 -1.13 0.00 0.00 0.00 179.25 179.28 2jyn n SER 110 N -4.17 4.27 -5.00 0.00 3.41 -1.26 -4.73 113.62 106.14 2jyn n SER 110 Ca 0.01 -2.76 -0.18 0.00 -0.26 0.00 0.00 58.87 55.68 2jyn n SER 110 Cb 0.41 -0.65 0.01 0.00 -0.26 0.00 0.00 64.21 63.72 2jyn n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jyn s ALA 111 N -2.29 4.51 1.00 7.33 0.00 -1.16 -5.15 121.76 126.00 2jyn s ALA 111 Ca 0.40 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.59 2jyn s ALA 111 Cb 0.31 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.91 2jyn s ALA 111 CO 0.11 -0.38 0.00 -0.85 0.00 0.00 0.00 175.76 174.64 2jyn n GLU 112 N -1.88 -0.08 -0.92 0.00 0.28 -1.26 -5.01 120.64 111.78 2jyn n GLU 112 Ca 0.09 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 57.02 2jyn n GLU 112 Cb 0.60 0.00 0.25 0.00 1.43 0.00 0.00 31.44 33.72 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 -2.03 1.99 -2.31 -1.84 4.11 -1.26 -4.69 117.16 111.13 2jyn n TYR 113 Ca 0.00 -1.37 -0.25 0.00 -0.00 0.00 0.00 57.90 56.28 2jyn n TYR 113 Cb 0.00 -0.63 0.06 0.00 -0.00 0.00 0.00 39.34 38.77 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 -1.61 1.69 0.45 -7.48 0.00 -1.26 -4.81 107.32 94.30 2jyn s GLY 114 Ca 0.51 -0.95 0.11 0.00 0.00 0.00 0.00 44.72 44.39 2jyn s GLY 114 CO 0.09 -0.59 2.06 0.06 0.00 0.00 0.00 173.10 174.71 2jyn h GLN 115 N -0.41 0.26 0.00 2.90 -0.00 -1.96 0.18 115.11 116.08 2jyn h GLN 115 Ca -0.44 -0.03 -0.20 0.00 -0.00 0.00 0.00 58.65 57.98 2jyn h GLN 115 Cb 1.30 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.48 28.70 2jyn h GLN 115 CO 0.59 0.23 -1.31 0.74 -0.00 0.00 0.00 178.83 179.08 2jyn h PHE 116 N 0.26 0.00 -0.17 0.06 0.04 -1.99 -3.34 116.94 111.79 2jyn h PHE 116 Ca 0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.84 2jyn h PHE 116 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 2jyn h PHE 116 CO 0.00 0.73 0.00 0.25 -0.60 0.00 0.00 178.31 178.70 2jyn n THR 117 N -3.04 0.21 -4.23 -1.55 -2.24 -0.66 -4.86 114.28 97.91 2jyn n THR 117 Ca -0.09 -0.49 -0.16 0.00 -2.27 0.00 0.00 64.05 61.04 2jyn n THR 117 Cb 0.89 0.87 -0.11 0.00 -2.10 0.00 0.00 70.33 69.89 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 -1.79 1.20 -0.04 4.28 -4.23 -0.04 -0.96 115.64 114.06 2jyn s THR 118 Ca 0.34 -1.77 0.01 0.00 -1.18 0.00 0.00 61.69 59.09 2jyn s THR 118 Cb 0.20 -1.55 0.02 0.00 1.34 0.00 0.00 72.50 72.51 2jyn s THR 118 CO 0.30 -0.53 -0.05 0.00 -0.54 0.00 0.00 174.62 173.81 2jyn s PHE 120 N 0.76 2.22 0.47 0.00 0.40 -1.26 -1.42 117.98 119.15 2jyn s PHE 120 Ca -0.10 0.52 0.02 0.00 -0.60 0.00 0.00 56.93 56.77 2jyn s PHE 120 Cb -0.13 -4.35 -0.01 0.00 0.51 0.00 0.00 43.02 39.04 2jyn s PHE 120 CO 0.00 -2.06 0.07 0.14 0.70 0.00 0.00 175.22 174.08 2jyn s VAL 121 N 6.26 0.82 0.59 -0.44 -7.23 -0.86 -5.00 120.40 114.54 2jyn s VAL 121 Ca 0.56 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.59 2jyn s VAL 121 Cb -0.12 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 2jyn s VAL 121 CO 0.26 0.00 1.03 0.68 -0.31 0.00 0.00 175.10 176.75 2jyn s VAL 122 N -3.04 4.33 0.48 1.32 -7.23 -1.26 -1.40 120.40 113.60 2jyn s VAL 122 Ca 0.13 0.96 0.18 0.00 -1.81 0.00 0.00 61.98 61.44 2jyn s VAL 122 Cb 0.01 -3.63 0.35 0.00 0.56 0.00 0.00 36.38 33.68 2jyn s VAL 122 CO 0.08 -0.79 2.00 0.03 -0.31 0.00 0.00 175.10 176.11 2jyn h ARG 123 N 0.22 0.21 -0.64 4.82 2.47 -0.33 -2.06 114.38 119.06 2jyn h ARG 123 Ca -0.46 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.26 2jyn h ARG 123 Cb 1.20 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 29.44 2jyn h ARG 123 CO 0.60 0.14 0.42 1.25 0.56 0.00 0.00 179.97 182.94 2jyn h LEU 124 N 0.22 0.73 -0.19 3.04 7.12 -1.84 0.05 115.31 124.44 2jyn h LEU 124 Ca 0.25 -0.02 -0.04 0.00 0.13 0.00 0.00 57.88 58.19 2jyn h LEU 124 Cb 0.69 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.63 2jyn h LEU 124 CO -0.05 0.53 -0.05 1.56 -0.13 0.00 0.00 178.44 180.30 2jyn h GLN 125 N 0.87 0.38 0.20 1.25 1.08 -1.72 -1.92 115.11 115.24 2jyn h GLN 125 Ca 0.23 -0.15 0.01 0.00 -1.45 0.00 0.00 58.65 57.30 2jyn h GLN 125 Cb -0.10 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.27 2jyn h GLN 125 CO -0.05 0.64 -0.40 0.35 -0.95 0.00 0.00 178.83 178.42 2jyn h PHE 126 N 0.09 -1.12 -0.06 2.96 3.57 -1.16 -2.89 116.94 118.34 2jyn h PHE 126 Ca 0.05 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.60 2jyn h PHE 126 Cb 0.50 0.46 -0.06 0.00 2.79 0.00 0.00 35.95 39.65 2jyn h PHE 126 CO 0.05 -0.52 -0.47 1.88 -2.23 0.00 0.00 178.31 177.03 2jyn h TYR 127 N -0.69 -1.35 -0.57 0.41 0.05 -1.05 -1.68 116.97 112.10 2jyn h TYR 127 Ca 0.01 0.05 0.05 0.00 0.05 0.00 0.00 58.73 58.89 2jyn h TYR 127 Cb 0.68 0.60 -0.08 0.00 1.01 0.00 0.00 36.73 38.95 2jyn h TYR 127 CO -0.32 -0.52 -0.42 0.00 -1.05 0.00 0.00 178.16 175.85 2jyn h ALA 128 N -0.12 -0.50 -0.06 3.88 0.00 -1.16 0.98 119.26 122.28 2jyn h ALA 128 Ca 0.05 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 2jyn h ALA 128 Cb 0.67 1.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 2jyn h ALA 128 CO -0.37 -0.76 -0.57 0.74 0.00 0.00 0.00 179.25 178.28 2jyn h PHE 129 N -0.11 0.25 -0.15 0.00 0.04 -1.55 -3.05 116.94 112.38 2jyn h PHE 129 Ca 0.09 -0.09 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 2jyn h PHE 129 Cb 0.35 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.45 2jyn h PHE 129 CO -0.89 0.73 -0.12 1.49 -0.60 0.00 0.00 178.31 178.92 2jyn h GLU 130 N 0.15 0.34 -0.15 1.51 4.57 -0.09 -1.25 114.58 119.66 2jyn h GLU 130 Ca -0.00 -0.17 -0.00 0.00 -1.18 0.00 0.00 59.36 58.01 2jyn h GLU 130 Cb 1.05 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.64 2jyn h GLU 130 CO 0.09 0.70 0.08 0.82 -1.18 0.00 0.00 179.01 179.52 2jyn h ILE 131 N -0.02 1.10 0.12 2.32 2.04 -0.98 0.51 117.51 122.60 2jyn h ILE 131 Ca 0.03 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.62 2jyn h ILE 131 Cb 0.62 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 2jyn h ILE 131 CO 0.03 0.09 -0.23 0.00 0.00 0.00 0.00 178.15 178.05 2jyn h ALA 132 N 0.97 -0.39 -0.57 1.87 0.00 -1.51 -1.14 119.26 118.49 2jyn h ALA 132 Ca 0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2jyn h ALA 132 Cb 0.08 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2jyn h ALA 132 CO -0.01 -0.76 0.24 0.00 0.00 0.00 0.00 179.25 178.72 2jyn h ARG 133 N -0.43 0.82 -0.24 0.00 3.08 -1.18 -2.33 114.38 114.10 2jyn h ARG 133 Ca 0.03 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 2jyn h ARG 133 Cb 0.44 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2jyn h ARG 133 CO -0.12 0.66 -0.16 -0.97 -1.07 0.00 0.00 179.97 178.32 2jyn h ASN 134 N 0.82 0.56 0.15 7.04 -1.24 -0.50 0.31 115.58 122.72 2jyn h ASN 134 Ca 0.20 -0.43 -0.08 0.00 0.71 0.00 0.00 56.30 56.69 2jyn h ASN 134 Cb 0.14 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 2jyn h ASN 134 CO -0.02 0.87 -0.30 0.11 -1.29 0.00 0.00 177.43 176.80 2jyn h LYS 135 N 0.25 0.24 0.00 6.67 1.57 -1.18 -2.51 116.57 121.61 2jyn h LYS 135 Ca 0.05 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2jyn h LYS 135 Cb 0.68 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2jyn h LYS 135 CO 0.04 0.52 -0.50 0.72 -0.57 0.00 0.00 179.45 179.66 2jyn n HIS 136 N -4.12 0.59 -1.70 -1.35 8.25 -0.88 -4.97 115.22 111.03 2jyn n HIS 136 Ca -0.01 0.17 -0.06 0.00 -0.26 0.00 0.00 57.72 57.56 2jyn n HIS 136 Cb 0.40 -0.69 -0.01 0.00 1.12 0.00 0.00 29.99 30.81 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 1.34 0.45 0.27 -1.41 0.00 0.84 -4.95 105.19 101.72 2jyn n GLY 137 Ca 0.04 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 2jyn n GLY 137 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jyn h LEU 138 N 0.00 0.95 -3.74 0.99 4.07 -1.13 -3.03 115.31 113.42 2jyn h LEU 138 Ca -0.14 -0.38 -0.36 0.00 0.08 0.00 0.00 57.88 57.08 2jyn h LEU 138 Cb 0.80 -0.26 -0.21 0.00 1.08 0.00 0.00 40.66 42.06 2jyn h LEU 138 CO 0.18 1.11 0.46 -0.46 -1.08 0.00 0.00 178.44 178.65 2jyn n ASN 139 N -4.19 4.14 0.11 -0.43 6.94 -1.25 -4.44 115.26 116.13 2jyn n ASN 139 Ca -0.00 -3.34 -0.03 0.00 -0.02 0.00 0.00 54.58 51.19 2jyn n ASN 139 Cb 0.42 -0.78 0.16 0.00 -2.36 0.00 0.00 39.78 37.22 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 1.64 0.17 -0.16 0.53 3.58 -1.84 -3.28 116.42 117.07 2jyn h ASP 140 Ca 0.44 -0.09 0.05 0.00 0.42 0.00 0.00 57.03 57.84 2jyn h ASP 140 Cb 2.53 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 43.52 2jyn h ASP 140 CO 0.89 0.71 0.20 4.11 -2.88 0.00 0.00 179.24 182.27 2jyn h TRP 141 N 0.12 0.00 -0.40 0.28 5.08 -1.83 -0.26 115.95 118.95 2jyn h TRP 141 Ca -0.00 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.90 2jyn h TRP 141 Cb 1.04 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.18 2jyn h TRP 141 CO 0.01 0.00 -0.03 0.82 -1.28 0.00 0.00 178.44 177.97 2jyn h ILE 142 N 0.00 1.23 0.00 0.12 5.03 -1.93 -2.45 117.51 119.51 2jyn h ILE 142 Ca 0.08 -0.94 -0.04 0.00 -0.12 0.00 0.00 64.86 63.84 2jyn h ILE 142 Cb 0.48 0.95 -0.01 0.00 -3.03 0.00 0.00 36.82 35.22 2jyn h ILE 142 CO -0.00 0.32 -0.18 -0.37 -0.68 0.00 0.00 178.15 177.25 2jyn h VAL 143 N 0.61 0.80 -0.53 1.67 -1.51 -1.18 -2.24 116.25 113.87 2jyn h VAL 143 Ca 0.12 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 2jyn h VAL 143 Cb 0.42 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 2jyn h VAL 143 CO 0.02 0.17 0.00 0.61 -1.23 0.00 0.00 177.57 177.14 2jyn n GLY 144 N -0.69 3.16 3.87 5.19 0.00 -0.94 -4.59 105.19 111.17 2jyn n GLY 144 Ca -0.02 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.60 3.83 0.00 1.61 -1.52 -0.84 -5.07 119.66 115.07 2jyn s GLN 145 Ca 0.51 0.57 0.00 0.00 -1.95 0.00 0.00 55.36 54.50 2jyn s GLN 145 Cb 0.38 -2.35 0.00 0.00 -0.22 0.00 0.00 33.01 30.82 2jyn s GLN 145 CO 0.16 -0.06 0.43 0.36 -0.25 0.00 0.00 175.29 175.93