#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 -5.96 -1.21 6.12 2.88 -1.26 -4.33 113.62 109.86 2jyn n SER 2 Ca 0.00 -0.52 0.00 0.00 -1.33 0.00 0.00 58.87 57.02 2jyn n SER 2 Cb 0.00 -4.74 0.00 0.00 -0.75 0.00 0.00 64.21 58.72 2jyn n SER 2 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2jyn n THR 3 N -4.80 -5.77 -1.79 2.46 -1.04 -1.26 -4.79 114.28 97.29 2jyn n THR 3 Ca -0.01 1.72 -0.30 0.00 -2.04 0.00 0.00 64.05 63.42 2jyn n THR 3 Cb 0.57 -3.09 -0.04 0.00 -1.82 0.00 0.00 70.33 65.95 2jyn n THR 3 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2jyn s PHE 4 N -1.07 1.40 -1.35 -1.42 0.08 -1.26 -4.87 117.98 109.48 2jyn s PHE 4 Ca 0.00 1.26 -0.15 0.00 0.12 0.00 0.00 56.93 58.15 2jyn s PHE 4 Cb 0.00 -3.78 0.01 0.00 -0.57 0.00 0.00 43.02 38.68 2jyn s PHE 4 CO 0.00 -2.10 2.16 0.09 -0.10 0.00 0.00 175.22 175.27 2jyn n ASN 5 N 15.27 3.74 -4.15 1.36 3.02 -1.26 -4.85 115.26 128.38 2jyn n ASN 5 Ca 0.35 -2.82 -0.39 0.00 -0.03 0.00 0.00 54.58 51.69 2jyn n ASN 5 Cb 0.50 -1.59 -0.07 0.00 -0.61 0.00 0.00 39.78 38.01 2jyn n ASN 5 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jyn s ALA 6 N 3.57 3.93 -1.32 5.41 0.00 -1.26 -4.95 121.76 127.14 2jyn s ALA 6 Ca 0.49 -3.48 -0.12 0.00 0.00 0.00 0.00 51.96 48.85 2jyn s ALA 6 Cb 0.13 -2.91 0.12 0.00 0.00 0.00 0.00 23.12 20.47 2jyn s ALA 6 CO -0.05 -2.16 1.90 -1.91 0.00 0.00 0.00 175.76 173.54 2jyn n GLU 7 N 3.18 3.33 -3.76 0.00 0.00 -1.26 -4.96 120.64 117.17 2jyn n GLU 7 Ca 0.14 -3.29 -0.23 0.00 0.00 0.00 0.00 57.16 53.78 2jyn n GLU 7 Cb 0.39 -3.09 -0.04 0.00 0.00 0.00 0.00 31.44 28.70 2jyn n GLU 7 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 2jyn s THR 8 N 1.68 2.41 0.00 6.31 -4.23 -1.26 -5.06 115.64 115.48 2jyn s THR 8 Ca 0.43 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 2jyn s THR 8 Cb 0.09 -2.86 0.00 0.00 1.34 0.00 0.00 72.50 71.06 2jyn s THR 8 CO -0.02 0.00 0.83 0.00 -0.54 0.00 0.00 174.62 174.89 2jyn n ALA 9 N -1.50 3.08 -1.00 3.99 0.00 -1.26 -5.15 120.51 118.66 2jyn n ALA 9 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2jyn n ALA 9 Cb 0.63 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.83 2jyn n ALA 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jyn n ASP 10 N 0.00 -0.01 -4.76 0.00 9.92 -1.26 -5.06 116.55 115.39 2jyn n ASP 10 Ca -0.20 -0.07 -0.29 0.00 -0.53 0.00 0.00 54.79 53.70 2jyn n ASP 10 Cb 0.63 0.00 0.13 0.00 -0.64 0.00 0.00 41.12 41.23 2jyn n ASP 10 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 2jyn s ASN 11 N -1.04 3.64 0.49 -2.24 0.02 -1.26 -4.81 114.94 109.74 2jyn s ASN 11 Ca 0.00 1.20 0.33 0.00 -1.02 0.00 0.00 52.86 53.36 2jyn s ASN 11 Cb 0.00 -1.85 1.50 0.00 0.02 0.00 0.00 41.25 40.92 2jyn s ASN 11 CO 0.00 -2.49 1.98 -0.07 0.02 0.00 0.00 177.10 176.53 2jyn h LEU 12 N -1.45 0.00 -0.04 0.60 3.38 -1.98 -2.54 115.31 113.27 2jyn h LEU 12 Ca -0.50 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.48 2jyn h LEU 12 Cb 1.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 2jyn h LEU 12 CO 0.59 0.00 -0.01 1.05 0.09 0.00 0.00 178.44 180.16 2jyn h GLU 13 N 0.00 0.00 0.00 1.13 4.11 -1.99 -1.69 114.58 116.14 2jyn h GLU 13 Ca 0.00 -0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.26 2jyn h GLU 13 Cb 0.31 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2jyn h GLU 13 CO 0.00 0.00 -1.04 0.38 0.07 0.00 0.00 179.01 178.42 2jyn h ASP 14 N 0.00 0.00 0.20 3.06 3.04 -1.87 -2.11 116.42 118.74 2jyn h ASP 14 Ca 0.02 0.00 0.01 0.00 -3.24 0.00 0.00 57.03 53.81 2jyn h ASP 14 Cb 0.03 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.30 2jyn h ASP 14 CO -0.04 0.72 -0.22 0.40 -2.04 0.00 0.00 179.24 178.06 2jyn h ILE 15 N 0.00 0.52 -0.17 4.15 1.08 -1.44 -1.18 117.51 120.47 2jyn h ILE 15 Ca -0.09 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.26 2jyn h ILE 15 Cb 1.62 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 35.89 2jyn h ILE 15 CO 0.08 0.00 -0.41 -0.33 -0.69 0.00 0.00 178.15 176.79 2jyn h GLU 16 N -0.46 0.40 0.42 2.37 5.08 -1.36 -2.73 114.58 118.30 2jyn h GLU 16 Ca 0.00 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 2jyn h GLU 16 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2jyn h GLU 16 CO -0.06 0.75 -0.20 -0.22 -1.00 0.00 0.00 179.01 178.28 2jyn h LYS 17 N 0.33 -0.54 -0.63 2.33 3.64 -1.29 0.72 116.57 121.13 2jyn h LYS 17 Ca 0.03 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2jyn h LYS 17 Cb 0.87 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 2jyn h LYS 17 CO 0.07 -0.24 0.26 -0.56 -2.27 0.00 0.00 179.45 176.71 2jyn h GLN 18 N -0.83 0.91 -0.18 1.90 3.07 -1.29 -2.24 115.11 116.45 2jyn h GLN 18 Ca -0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 58.65 58.53 2jyn h GLN 18 Cb 0.55 -0.16 -0.01 0.00 0.08 0.00 0.00 27.48 27.94 2jyn h GLN 18 CO 0.09 0.73 0.06 0.35 0.09 0.00 0.00 178.83 180.16 2jyn h PHE 19 N 0.90 0.29 -0.23 0.06 3.57 -1.49 -2.88 116.94 117.16 2jyn h PHE 19 Ca 0.21 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.69 2jyn h PHE 19 Cb 0.15 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 2jyn h PHE 19 CO 0.01 0.37 0.15 0.00 -2.23 0.00 0.00 178.31 176.60 2jyn h ALA 20 N 0.89 0.29 0.74 2.41 0.00 -0.27 -1.67 119.26 121.65 2jyn h ALA 20 Ca 0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2jyn h ALA 20 Cb 0.21 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2jyn h ALA 20 CO -0.00 -0.23 -0.36 -0.24 0.00 0.00 0.00 179.25 178.42 2jyn h VAL 21 N 0.30 0.12 -0.40 0.00 3.04 -1.54 -2.82 116.25 114.94 2jyn h VAL 21 Ca 0.08 -0.22 0.02 0.00 -1.01 0.00 0.00 66.70 65.57 2jyn h VAL 21 Cb -0.02 0.15 -0.02 0.00 -2.01 0.00 0.00 31.29 29.39 2jyn h VAL 21 CO -0.02 0.01 0.27 -0.37 -1.01 0.00 0.00 177.57 176.45 2jyn h VAL 22 N -1.19 1.07 0.25 1.51 -1.51 -1.42 -1.12 116.25 113.84 2jyn h VAL 22 Ca -0.10 -0.17 -0.33 0.00 -1.23 0.00 0.00 66.70 64.86 2jyn h VAL 22 Cb 0.78 0.53 0.04 0.00 -2.13 0.00 0.00 31.29 30.51 2jyn h VAL 22 CO 0.17 0.09 -1.48 0.00 -1.23 0.00 0.00 177.57 175.12 2jyn h ALA 23 N 1.76 -0.14 0.00 5.19 0.00 -1.37 -2.21 119.26 122.49 2jyn h ALA 23 Ca 0.16 -0.87 -0.18 0.00 0.00 0.00 0.00 54.91 54.01 2jyn h ALA 23 Cb 0.02 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2jyn h ALA 23 CO -0.04 0.72 -0.86 -0.39 0.00 0.00 0.00 179.25 178.69 2jyn h VAL 24 N 0.14 1.57 -0.62 0.00 -1.51 -1.23 -2.31 116.25 112.30 2jyn h VAL 24 Ca -0.25 -2.81 -0.05 0.00 -1.23 0.00 0.00 66.70 62.36 2jyn h VAL 24 Cb 2.16 2.54 -0.03 0.00 -2.13 0.00 0.00 31.29 33.83 2jyn h VAL 24 CO 0.27 0.81 0.20 -0.33 -1.23 0.00 0.00 177.57 177.29 2jyn h GLU 25 N 0.03 0.97 -0.61 5.19 4.39 -1.27 -1.94 114.58 121.35 2jyn h GLU 25 Ca -0.02 -0.21 -0.07 0.00 0.34 0.00 0.00 59.36 59.41 2jyn h GLU 25 Cb 1.50 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.98 2jyn h GLU 25 CO 0.12 0.85 0.11 0.37 -1.16 0.00 0.00 179.01 179.30 2jyn h GLN 26 N 0.89 0.97 -0.30 2.33 5.75 -1.35 -1.07 115.11 122.33 2jyn h GLN 26 Ca 0.20 -0.24 -0.04 0.00 -0.15 0.00 0.00 58.65 58.43 2jyn h GLN 26 Cb 0.28 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 2jyn h GLN 26 CO -0.01 0.89 0.03 0.00 -2.65 0.00 0.00 178.83 177.09 2jyn h ALA 27 N 1.19 0.40 0.00 3.38 0.00 -1.19 -1.22 119.26 121.82 2jyn h ALA 27 Ca 0.19 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2jyn h ALA 27 Cb 0.39 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2jyn h ALA 27 CO 0.01 0.12 -0.65 1.05 0.00 0.00 0.00 179.25 179.77 2jyn h GLU 28 N 0.32 0.00 -0.42 0.00 4.11 -1.32 -2.81 114.58 114.46 2jyn h GLU 28 Ca 0.09 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.40 2jyn h GLU 28 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2jyn h GLU 28 CO 0.01 0.65 -0.18 1.15 0.07 0.00 0.00 179.01 180.71 2jyn h THR 29 N 0.00 1.28 -0.43 -1.06 2.02 -1.13 -2.10 112.91 111.49 2jyn h THR 29 Ca -0.01 -1.32 0.08 0.00 0.77 0.00 0.00 66.41 65.94 2jyn h THR 29 Cb 1.37 1.24 -0.08 0.00 -1.74 0.00 0.00 68.15 68.95 2jyn h THR 29 CO 0.08 0.45 -0.06 0.22 0.37 0.00 0.00 175.52 176.58 2jyn h TYR 30 N 0.68 -0.14 0.43 3.16 3.20 -1.15 -0.60 116.97 122.56 2jyn h TYR 30 Ca 0.10 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 2jyn h TYR 30 Cb 0.74 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 2jyn h TYR 30 CO 0.06 -0.15 -0.29 2.35 -1.64 0.00 0.00 178.16 178.49 2jyn h TRP 31 N 0.04 -0.77 0.00 -3.82 2.91 -1.37 -2.71 115.95 110.24 2jyn h TRP 31 Ca 0.21 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.19 2jyn h TRP 31 Cb 0.32 0.28 -0.01 0.00 -0.51 0.00 0.00 29.16 29.24 2jyn h TRP 31 CO -0.33 -0.44 -0.18 1.57 -1.03 0.00 0.00 178.44 178.02 2jyn h LYS 32 N -0.70 0.00 -0.34 2.65 5.09 -1.19 -1.96 116.57 120.11 2jyn h LYS 32 Ca -0.04 0.00 -0.09 0.00 0.09 0.00 0.00 60.65 60.60 2jyn h LYS 32 Cb 0.59 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.91 2jyn h LYS 32 CO 0.03 0.18 -0.14 -0.07 -2.09 0.00 0.00 179.45 177.36 2jyn h LEU 33 N 0.00 0.72 -0.31 7.07 3.38 -0.94 -1.88 115.31 123.35 2jyn h LEU 33 Ca -0.00 -0.39 -0.11 0.00 0.09 0.00 0.00 57.88 57.47 2jyn h LEU 33 Cb 0.50 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2jyn h LEU 33 CO 0.02 0.95 -0.23 -0.07 0.09 0.00 0.00 178.44 179.20 2jyn h LEU 34 N 0.48 0.74 -1.53 1.67 4.07 -1.14 -0.93 115.31 118.68 2jyn h LEU 34 Ca 0.08 -0.44 -0.03 0.00 0.08 0.00 0.00 57.88 57.57 2jyn h LEU 34 Cb 0.67 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.19 2jyn h LEU 34 CO 0.05 1.03 -0.01 0.71 -1.08 0.00 0.00 178.44 179.13 2jyn h THR 35 N 0.46 1.13 0.00 0.22 1.35 -1.36 -3.20 112.91 111.51 2jyn h THR 35 Ca 0.06 -0.53 -0.02 0.00 -0.55 0.00 0.00 66.41 65.37 2jyn h THR 35 Cb 0.79 1.01 -0.00 0.00 -1.73 0.00 0.00 68.15 68.21 2jyn h THR 35 CO 0.06 0.17 -0.15 0.28 -0.25 0.00 0.00 175.52 175.64 2jyn h SER 36 N 0.28 0.00 -4.30 5.36 0.02 -1.30 -3.46 113.55 110.16 2jyn h SER 36 Ca 0.06 -0.71 -0.51 0.00 -0.84 0.00 0.00 61.79 59.80 2jyn h SER 36 Cb 0.21 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 62.52 2jyn h SER 36 CO 0.01 0.94 -0.81 0.68 -1.14 0.00 0.00 176.83 176.50 2jyn s VAL 37 N -2.10 1.43 -1.79 2.27 -7.23 -0.36 -5.06 120.40 107.57 2jyn s VAL 37 Ca -0.16 -1.24 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 2jyn s VAL 37 Cb -0.01 -1.29 0.00 0.00 0.56 0.00 0.00 36.38 35.64 2jyn s VAL 37 CO 0.52 0.02 0.49 -0.81 -0.31 0.00 0.00 175.10 175.00 2jyn n PRO 38 N 1.59 0.54 -0.29 4.82 -0.04 -1.26 -3.94 135.00 136.43 2jyn n PRO 38 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2jyn n PRO 38 Cb 0.54 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 2jyn n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jyn n GLY 39 N 0.08 2.36 0.10 0.55 0.00 -1.26 -4.85 105.19 102.17 2jyn n GLY 39 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2jyn n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jyn n SER 40 N 0.00 0.56 -0.19 1.61 2.88 -1.26 -2.40 113.62 114.83 2jyn n SER 40 Ca 0.00 0.62 0.04 0.00 -1.33 0.00 0.00 58.87 58.20 2jyn n SER 40 Cb 0.00 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 2jyn n SER 40 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2jyn n LYS 41 N -2.10 1.90 -3.27 -1.46 0.00 -1.26 -4.94 118.16 107.03 2jyn n LYS 41 Ca 0.03 -0.58 -0.44 0.00 -0.00 0.00 0.00 58.31 57.32 2jyn n LYS 41 Cb 0.25 -1.02 -0.07 0.00 -0.00 0.00 0.00 35.03 34.19 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 -1.29 5.19 -0.12 -5.58 1.43 -1.01 -5.05 118.68 112.24 2jyn s LEU 42 Ca 0.06 -1.02 -0.06 0.00 -1.03 0.00 0.00 54.13 52.08 2jyn s LEU 42 Cb 0.06 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 2jyn s LEU 42 CO 0.17 -0.75 0.10 -0.13 0.23 0.00 0.00 176.35 175.96 2jyn s ARG 43 N 2.20 3.39 0.14 1.70 3.00 -1.26 -4.99 118.95 123.12 2jyn s ARG 43 Ca 0.11 -0.22 -0.12 0.00 0.00 0.00 0.00 55.73 55.50 2jyn s ARG 43 Cb -0.21 -3.10 -0.03 0.00 0.00 0.00 0.00 34.95 31.62 2jyn s ARG 43 CO 0.10 0.71 1.51 -0.07 0.00 0.00 0.00 175.30 177.55 2jyn h LEU 44 N 5.21 0.91 0.00 2.53 -0.00 -1.95 -3.46 115.31 118.54 2jyn h LEU 44 Ca -0.52 -0.41 -0.08 0.00 -0.00 0.00 0.00 57.88 56.87 2jyn h LEU 44 Cb 1.21 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 41.60 2jyn h LEU 44 CO 0.59 1.11 -0.08 0.35 -0.00 0.00 0.00 178.44 180.41 2jyn n THR 45 N -4.20 0.00 0.19 0.22 -2.24 -1.26 -5.01 114.28 101.99 2jyn n THR 45 Ca -0.01 -0.42 0.09 0.00 -2.27 0.00 0.00 64.05 61.43 2jyn n THR 45 Cb 0.44 0.21 0.12 0.00 -2.10 0.00 0.00 70.33 69.00 2jyn n THR 45 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2jyn h LYS 46 N 0.00 0.00 -0.25 -0.78 3.64 -2.04 -3.32 116.57 113.82 2jyn h LYS 46 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2jyn h LYS 46 Cb 0.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2jyn h LYS 46 CO 0.06 0.16 0.00 1.19 -2.27 0.00 0.00 179.45 178.60 2jyn n PHE 47 N -3.14 0.70 -0.08 1.91 3.72 -1.26 -4.78 117.46 114.53 2jyn n PHE 47 Ca 0.03 -0.77 -0.01 0.00 -0.05 0.00 0.00 57.45 56.66 2jyn n PHE 47 Cb 0.60 -0.21 0.26 0.00 -0.94 0.00 0.00 39.48 39.19 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 1.66 0.65 -0.42 4.37 2.03 -1.96 -1.47 116.42 121.28 2jyn h ASP 48 Ca 0.00 -0.09 -0.03 0.00 -0.73 0.00 0.00 57.03 56.18 2jyn h ASP 48 Cb 1.18 -0.17 -0.02 0.00 -0.83 0.00 0.00 39.33 39.49 2jyn h ASP 48 CO 0.14 0.62 0.16 -0.78 -1.03 0.00 0.00 179.24 178.35 2jyn h ASP 49 N 0.69 0.59 0.97 4.15 3.58 -1.89 -2.50 116.42 122.00 2jyn h ASP 49 Ca 0.16 -0.18 -0.10 0.00 0.42 0.00 0.00 57.03 57.33 2jyn h ASP 49 Cb 0.21 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2jyn h ASP 49 CO -0.01 0.61 -0.50 1.05 -2.88 0.00 0.00 179.24 177.51 2jyn h GLU 50 N 0.54 0.00 -0.74 0.28 4.11 -1.83 -2.89 114.58 114.04 2jyn h GLU 50 Ca 0.14 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.55 2jyn h GLU 50 Cb 0.21 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2jyn h GLU 50 CO -0.01 0.50 0.37 0.82 0.07 0.00 0.00 179.01 180.76 2jyn h ILE 51 N 0.00 1.23 0.02 -1.06 2.04 -0.94 -0.40 117.51 118.40 2jyn h ILE 51 Ca -0.00 -0.62 0.01 0.00 1.00 0.00 0.00 64.86 65.25 2jyn h ILE 51 Cb 1.12 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2jyn h ILE 51 CO 0.06 0.27 -0.06 0.22 0.00 0.00 0.00 178.15 178.64 2jyn h TYR 52 N 1.05 -0.16 0.86 1.37 3.20 -1.31 -2.44 116.97 119.54 2jyn h TYR 52 Ca 0.26 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 2jyn h TYR 52 Cb 0.08 0.07 0.01 0.00 1.54 0.00 0.00 36.73 38.42 2jyn h TYR 52 CO 0.01 -0.10 -0.41 0.93 -1.64 0.00 0.00 178.16 176.94 2jyn h GLU 53 N -0.13 -1.11 -0.03 1.82 5.08 -1.21 -1.96 114.58 117.04 2jyn h GLU 53 Ca 0.02 0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2jyn h GLU 53 Cb 0.14 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 2jyn h GLU 53 CO -0.05 -0.74 0.02 -0.91 -1.00 0.00 0.00 179.01 176.33 2jyn h ASN 54 N -1.18 0.00 -0.18 1.42 2.35 -1.20 -0.52 115.58 116.26 2jyn h ASN 54 Ca -0.12 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.56 2jyn h ASN 54 Cb 0.89 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.25 2jyn h ASN 54 CO 0.19 0.00 -0.18 0.15 -1.65 0.00 0.00 177.43 175.94 2jyn h PHE 55 N 0.00 0.54 0.00 1.19 3.04 -1.36 -2.21 116.94 118.13 2jyn h PHE 55 Ca 0.01 -0.16 0.00 0.00 3.98 0.00 0.00 57.97 61.80 2jyn h PHE 55 Cb 0.06 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.45 2jyn h PHE 55 CO 0.00 0.81 0.00 0.00 -2.02 0.00 0.00 178.31 177.10 2jyn h MET 56 N 0.11 0.00 0.03 1.11 -0.00 -0.49 0.10 114.93 115.78 2jyn h MET 56 Ca 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.68 2jyn h MET 56 Cb 0.72 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.33 2jyn h MET 56 CO 0.05 0.00 -0.20 0.93 -0.00 0.00 0.00 176.91 177.68 2jyn h GLU 57 N 0.00 0.09 0.00 -0.10 5.08 -1.14 -3.28 114.58 115.23 2jyn h GLU 57 Ca 0.00 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.10 2jyn h GLU 57 Cb 0.75 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 2jyn h GLU 57 CO 0.00 1.01 -1.01 0.00 -1.00 0.00 0.00 179.01 178.01 2jyn h ARG 58 N -0.77 0.00 -2.94 2.33 -0.00 -1.42 -3.40 114.38 108.18 2jyn h ARG 58 Ca -0.03 0.00 -0.61 0.00 -0.50 0.00 0.00 59.98 58.83 2jyn h ARG 58 Cb 1.11 0.00 -0.40 0.00 0.00 0.00 0.00 29.97 30.67 2jyn h ARG 58 CO 0.04 0.34 -0.72 -0.06 0.00 0.00 0.00 179.97 179.56 2jyn s PHE 59 N -2.98 2.39 -1.44 3.04 0.40 0.36 -4.97 117.98 114.77 2jyn s PHE 59 Ca 0.00 -2.74 0.04 0.00 -0.60 0.00 0.00 56.93 53.63 2jyn s PHE 59 Cb 0.08 -2.04 0.15 0.00 0.51 0.00 0.00 43.02 41.73 2jyn s PHE 59 CO 0.78 -0.72 0.94 -0.35 0.70 0.00 0.00 175.22 176.57 2jyn n PRO 60 N 2.93 1.57 0.05 0.24 -0.04 -1.24 -2.41 135.00 136.11 2jyn n PRO 60 Ca 0.15 -0.59 -0.19 0.00 -0.04 0.00 0.00 63.50 62.83 2jyn n PRO 60 Cb 0.37 -1.38 -0.14 0.00 -0.04 0.00 0.00 33.50 32.30 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 0.85 0.29 -0.23 0.54 4.11 -1.92 -3.39 114.58 114.83 2jyn h GLU 61 Ca 0.00 -0.49 -0.06 0.00 0.07 0.00 0.00 59.36 58.88 2jyn h GLU 61 Cb 0.50 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2jyn h GLU 61 CO 0.05 1.16 -0.10 -0.92 0.07 0.00 0.00 179.01 179.26 2jyn h TYR 62 N 0.08 0.38 -0.47 2.06 5.03 -1.80 -2.75 116.97 119.50 2jyn h TYR 62 Ca -0.31 -0.05 0.14 0.00 2.58 0.00 0.00 58.73 61.09 2jyn h TYR 62 Cb 2.05 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 40.20 2jyn h TYR 62 CO 0.07 0.47 0.37 1.57 -1.32 0.00 0.00 178.16 179.32 2jyn h LYS 63 N 0.35 0.00 -6.53 1.82 2.10 -1.76 -3.41 116.57 109.14 2jyn h LYS 63 Ca 0.07 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.19 2jyn h LYS 63 Cb 0.40 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 31.77 2jyn h LYS 63 CO 0.02 0.00 1.04 -0.51 -2.00 0.00 0.00 179.45 178.00 2jyn s ASP 64 N -5.99 6.48 0.44 7.07 1.11 -1.04 -4.91 116.67 119.83 2jyn s ASP 64 Ca -0.05 2.69 0.09 0.00 0.18 0.00 0.00 52.55 55.47 2jyn s ASP 64 Cb 0.18 -2.57 0.96 0.00 1.07 0.00 0.00 42.92 42.56 2jyn s ASP 64 CO 0.67 -0.95 2.08 0.58 1.18 0.00 0.00 175.17 178.74 2jyn h VAL 65 N 4.50 1.08 -0.40 -1.27 2.07 -1.89 -2.21 116.25 118.12 2jyn h VAL 65 Ca -0.44 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 66.97 2jyn h VAL 65 Cb 1.21 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 2jyn h VAL 65 CO 0.94 0.08 0.27 -0.33 0.02 0.00 0.00 177.57 178.55 2jyn h GLU 66 N 0.42 0.38 0.08 1.57 4.39 -1.92 -0.19 114.58 119.31 2jyn h GLU 66 Ca 0.11 -0.02 -0.26 0.00 0.34 0.00 0.00 59.36 59.54 2jyn h GLU 66 Cb -0.05 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 2jyn h GLU 66 CO -0.02 0.25 -1.20 0.00 -1.16 0.00 0.00 179.01 176.87 2jyn h ARG 67 N 0.39 0.17 0.00 2.33 2.47 -1.59 -3.27 114.38 114.88 2jyn h ARG 67 Ca 0.17 -0.29 -0.29 0.00 -1.26 0.00 0.00 59.98 58.31 2jyn h ARG 67 Cb 0.18 0.11 -0.05 0.00 -1.65 0.00 0.00 29.97 28.56 2jyn h ARG 67 CO -0.04 1.11 -1.69 -0.39 0.56 0.00 0.00 179.97 179.52 2jyn h VAL 68 N 0.05 0.86 0.00 2.04 -1.51 -1.43 -3.36 116.25 112.90 2jyn h VAL 68 Ca -0.11 -2.72 -0.13 0.00 -1.23 0.00 0.00 66.70 62.52 2jyn h VAL 68 Cb 1.91 2.43 -0.02 0.00 -2.13 0.00 0.00 31.29 33.48 2jyn h VAL 68 CO 0.17 0.50 -0.61 0.07 -1.23 0.00 0.00 177.57 176.47 2jyn h LYS 69 N 0.00 0.00 -2.22 5.19 2.10 -1.19 -3.44 116.57 117.00 2jyn h LYS 69 Ca -0.28 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.30 2jyn h LYS 69 Cb 2.01 0.00 -0.20 0.00 -0.90 0.00 0.00 32.23 33.13 2jyn h LYS 69 CO 0.08 0.61 0.06 -1.59 -2.00 0.00 0.00 179.45 176.61 2jyn s LYS 70 N -3.54 0.87 0.16 0.07 0.00 -1.23 0.15 119.74 116.20 2jyn s LYS 70 Ca -0.01 0.48 -0.02 0.00 0.00 0.00 0.00 55.97 56.42 2jyn s LYS 70 Cb 0.12 0.41 0.01 0.00 0.00 0.00 0.00 37.83 38.37 2jyn s LYS 70 CO 0.76 -0.20 0.23 1.97 0.00 0.00 0.00 175.35 178.11 2jyn n PHE 71 N 1.77 -0.99 -4.33 1.78 1.16 -0.58 -4.31 117.46 111.95 2jyn n PHE 71 Ca -0.17 -0.99 -0.17 0.00 -1.87 0.00 0.00 57.45 54.25 2jyn n PHE 71 Cb 0.56 0.27 -0.10 0.00 -1.61 0.00 0.00 39.48 38.60 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 -2.60 1.26 -0.13 1.97 2.01 -1.26 -4.60 115.64 112.28 2jyn s THR 72 Ca 0.12 -2.08 0.15 0.00 0.31 0.00 0.00 61.69 60.19 2jyn s THR 72 Cb -0.01 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.30 2jyn s THR 72 CO 0.08 -0.48 1.20 1.05 -0.69 0.00 0.00 174.62 175.79 2jyn h GLU 73 N 2.54 0.00 -0.37 4.92 4.11 -1.99 -3.36 114.58 120.42 2jyn h GLU 73 Ca -0.38 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.00 2jyn h GLU 73 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 2jyn h GLU 73 CO 0.64 0.44 0.02 1.05 0.07 0.00 0.00 179.01 181.23 2jyn h GLU 74 N 0.00 0.58 0.00 1.06 4.11 -2.00 -1.19 114.58 117.14 2jyn h GLU 74 Ca -0.06 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 59.24 2jyn h GLU 74 Cb 1.47 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.63 2jyn h GLU 74 CO 0.06 0.59 0.00 1.05 0.07 0.00 0.00 179.01 180.78 2jyn h GLU 75 N 0.56 0.00 0.00 1.06 4.11 -2.01 -2.65 114.58 115.65 2jyn h GLU 75 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.55 2jyn h GLU 75 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2jyn h GLU 75 CO 0.01 0.00 -1.11 1.28 0.07 0.00 0.00 179.01 179.26 2jyn n LEU 76 N -2.35 0.66 0.12 3.06 4.77 -0.48 -4.35 117.00 118.43 2jyn n LEU 76 Ca 0.02 -0.20 0.07 0.00 -0.03 0.00 0.00 56.01 55.87 2jyn n LEU 76 Cb 0.23 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.29 2jyn n LEU 76 CO 0.20 0.12 0.24 0.11 -1.33 0.00 0.00 177.39 176.73 2jyn h LYS 77 N 0.00 0.00 -7.31 3.23 1.79 -1.13 -3.39 116.57 109.77 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 0.66 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 31.42 2jyn h LYS 77 CO 0.00 0.17 0.34 -0.08 -1.08 0.00 0.00 179.45 178.80 2jyn s THR 78 N -3.15 3.56 0.34 -0.16 -1.32 -1.25 -4.80 115.64 108.87 2jyn s THR 78 Ca 0.02 0.54 0.06 0.00 -1.21 0.00 0.00 61.69 61.09 2jyn s THR 78 Cb 0.08 -3.11 0.30 0.00 -1.51 0.00 0.00 72.50 68.26 2jyn s THR 78 CO 0.76 -0.63 1.90 0.50 -2.21 0.00 0.00 174.62 174.93 2jyn h LYS 79 N -0.82 0.79 -0.54 7.08 3.64 -1.95 -0.49 116.57 124.28 2jyn h LYS 79 Ca -0.44 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 58.98 2jyn h LYS 79 Cb 1.23 -0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 32.80 2jyn h LYS 79 CO 0.54 0.52 0.17 0.93 -2.27 0.00 0.00 179.45 179.34 2jyn h GLU 80 N 0.81 0.33 -0.01 1.90 4.39 -1.94 -2.13 114.58 117.92 2jyn h GLU 80 Ca 0.41 -0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.93 2jyn h GLU 80 Cb 0.47 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2jyn h GLU 80 CO -0.17 0.22 -0.59 0.00 -1.16 0.00 0.00 179.01 177.30 2jyn h ALA 81 N 1.39 0.09 -0.97 3.43 0.00 -1.49 -2.72 119.26 118.99 2jyn h ALA 81 Ca 0.27 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jyn h ALA 81 Cb 0.33 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2jyn h ALA 81 CO -0.30 0.36 0.62 0.87 0.00 0.00 0.00 179.25 180.80 2jyn h LYS 82 N -0.08 1.30 0.27 0.00 1.57 -1.01 0.18 116.57 118.79 2jyn h LYS 82 Ca -0.07 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2jyn h LYS 82 Cb 1.30 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 33.33 2jyn h LYS 82 CO 0.12 0.88 -0.13 0.93 -0.57 0.00 0.00 179.45 180.67 2jyn h GLU 83 N 1.33 -0.35 0.00 3.15 5.08 -1.47 -2.60 114.58 119.72 2jyn h GLU 83 Ca 0.35 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.72 2jyn h GLU 83 Cb -0.12 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2jyn h GLU 83 CO -0.07 -0.02 -0.11 0.07 -1.00 0.00 0.00 179.01 177.88 2jyn h ARG 84 N -0.76 0.00 -0.41 2.33 0.11 -1.27 -0.41 114.38 113.98 2jyn h ARG 84 Ca -0.04 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.94 2jyn h ARG 84 Cb 0.50 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.56 2jyn h ARG 84 CO 0.06 0.11 -0.18 -1.49 0.10 0.00 0.00 179.97 178.57 2jyn h TRP 85 N 0.00 0.87 -0.27 4.08 4.06 -0.67 -0.31 115.95 123.71 2jyn h TRP 85 Ca -0.00 -0.18 -0.04 0.00 2.06 0.00 0.00 58.89 60.73 2jyn h TRP 85 Cb 0.47 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.41 2jyn h TRP 85 CO 0.00 0.90 0.03 -0.09 -3.56 0.00 0.00 178.44 175.72 2jyn h ARG 86 N 0.69 0.46 -0.80 0.49 2.43 -0.70 -0.87 114.38 116.08 2jyn h ARG 86 Ca 0.10 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2jyn h ARG 86 Cb 0.68 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.14 2jyn h ARG 86 CO 0.05 0.59 0.52 0.87 -1.51 0.00 0.00 179.97 180.49 2jyn h LYS 87 N 0.26 1.05 -0.46 0.20 6.56 -1.21 -0.18 116.57 122.79 2jyn h LYS 87 Ca 0.08 -0.07 -0.11 0.00 -1.06 0.00 0.00 60.65 59.49 2jyn h LYS 87 Cb 0.37 -0.24 -0.01 0.00 -0.57 0.00 0.00 32.23 31.78 2jyn h LYS 87 CO 0.01 0.70 -0.15 0.35 -2.06 0.00 0.00 179.45 178.30 2jyn h PHE 88 N 1.08 1.03 -0.14 -1.35 3.57 -0.92 -2.89 116.94 117.33 2jyn h PHE 88 Ca 0.29 -0.24 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2jyn h PHE 88 Cb -0.12 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.37 2jyn h PHE 88 CO 0.00 1.02 0.07 0.35 -2.23 0.00 0.00 178.31 177.52 2jyn h PHE 89 N 0.75 0.20 0.00 0.41 3.57 -0.88 -3.14 116.94 117.84 2jyn h PHE 89 Ca 0.11 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2jyn h PHE 89 Cb 0.71 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.39 2jyn h PHE 89 CO 0.05 0.22 0.00 1.79 -2.23 0.00 0.00 178.31 178.14 2jyn h THR 90 N 0.11 0.00 0.03 4.41 1.35 -0.88 0.21 112.91 118.14 2jyn h THR 90 Ca 0.05 -0.10 -0.00 0.00 -0.55 0.00 0.00 66.41 65.81 2jyn h THR 90 Cb 0.10 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 2jyn h THR 90 CO -0.01 0.00 -0.01 0.40 -0.25 0.00 0.00 175.52 175.65 2jyn h ILE 91 N 0.00 1.27 -0.53 6.82 2.04 -1.46 -3.37 117.51 122.27 2jyn h ILE 91 Ca 0.00 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.94 2jyn h ILE 91 Cb 0.13 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 2jyn h ILE 91 CO 0.00 0.23 0.00 0.49 0.00 0.00 0.00 178.15 178.87 2jyn n PHE 92 N -4.91 0.70 0.30 1.37 3.72 0.43 -4.17 117.46 114.90 2jyn n PHE 92 Ca -0.08 -0.38 0.10 0.00 -0.05 0.00 0.00 57.45 57.04 2jyn n PHE 92 Cb 0.22 -0.00 0.47 0.00 -0.94 0.00 0.00 39.48 39.22 2jyn n PHE 92 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2jyn n GLU 93 N 1.44 0.15 0.10 -1.08 0.28 0.45 -0.41 120.64 121.57 2jyn n GLU 93 Ca 0.21 0.48 0.06 0.00 -0.16 0.00 0.00 57.16 57.75 2jyn n GLU 93 Cb 0.59 -1.84 -0.00 0.00 1.43 0.00 0.00 31.44 31.61 2jyn n GLU 93 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 2jyn h LYS 94 N 0.00 0.00 0.00 3.44 1.79 -1.86 -3.44 116.57 116.51 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 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 2jyn h LYS 94 CO 0.00 0.16 -0.05 0.36 -1.08 0.00 0.00 179.45 178.84 2jyn n LYS 95 N -2.88 0.03 -2.48 3.15 0.00 -0.90 -4.95 118.16 110.13 2jyn n LYS 95 Ca -0.02 0.01 -0.40 0.00 -0.00 0.00 0.00 58.31 57.90 2jyn n LYS 95 Cb 0.67 -0.35 -0.03 0.00 -0.00 0.00 0.00 35.03 35.31 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 -1.62 3.72 -0.00 0.58 -1.09 0.45 -4.86 121.20 118.38 2jyn s ILE 96 Ca -0.02 0.07 -0.23 0.00 -2.23 0.00 0.00 60.65 58.24 2jyn s ILE 96 Cb 0.00 -4.82 -0.14 0.00 -1.58 0.00 0.00 42.46 35.92 2jyn s ILE 96 CO 0.02 -1.75 1.04 -0.33 -1.23 0.00 0.00 174.94 172.70 2jyn h GLU 97 N 10.52 -0.60 -5.00 2.79 5.08 -1.86 -3.37 114.58 122.14 2jyn h GLU 97 Ca -0.15 0.04 -0.72 0.00 -1.00 0.00 0.00 59.36 57.53 2jyn h GLU 97 Cb 1.05 0.14 -0.15 0.00 0.50 0.00 0.00 28.75 30.29 2jyn h GLU 97 CO 1.31 -0.31 1.63 -3.47 -1.00 0.00 0.00 179.01 177.17 2jyn n ASP 98 N -5.22 5.13 0.02 1.42 2.03 -1.26 -4.65 116.55 114.02 2jyn n ASP 98 Ca -0.10 -2.97 -0.21 0.00 0.52 0.00 0.00 54.79 52.03 2jyn n ASP 98 Cb 0.30 -1.62 -0.14 0.00 -0.72 0.00 0.00 41.12 38.94 2jyn n ASP 98 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 2jyn h TYR 99 N 7.18 0.53 -1.79 -0.67 -0.00 -1.97 -3.43 116.97 116.82 2jyn h TYR 99 Ca 0.36 -0.39 -0.77 0.00 -0.00 0.00 0.00 58.73 57.93 2jyn h TYR 99 Cb 0.86 -0.02 -0.19 0.00 -0.00 0.00 0.00 36.73 37.38 2jyn h TYR 99 CO 1.20 1.72 1.69 -1.71 -0.00 0.00 0.00 178.16 181.06 2jyn n ASN 100 N -3.50 5.42 -3.80 0.10 5.15 -1.26 -1.17 115.26 116.20 2jyn n ASN 100 Ca -0.29 -3.18 -0.23 0.00 -0.60 0.00 0.00 54.58 50.28 2jyn n ASN 100 Cb 1.06 -1.43 -0.17 0.00 -0.53 0.00 0.00 39.78 38.70 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 -0.36 0.76 0.09 1.20 5.36 -1.26 -4.96 117.98 118.81 2jyn s PHE 101 Ca 0.37 -0.23 -0.31 0.00 -0.96 0.00 0.00 56.93 55.80 2jyn s PHE 101 Cb 0.08 -0.82 -0.09 0.00 -0.34 0.00 0.00 43.02 41.85 2jyn s PHE 101 CO 0.03 -0.32 1.65 0.20 -1.46 0.00 0.00 175.22 175.31 2jyn s GLY 102 N 1.77 1.54 -0.00 13.12 0.00 -1.26 -1.10 107.32 121.38 2jyn s GLY 102 Ca 0.02 1.26 0.00 0.00 0.00 0.00 0.00 44.72 46.01 2jyn s GLY 102 CO -0.05 2.85 -0.00 -1.59 0.00 0.00 0.00 173.10 174.31 2jyn s THR 103 N 2.31 0.02 -0.43 0.90 2.01 -0.42 -4.39 115.64 115.64 2jyn s THR 103 Ca 0.74 -0.00 -0.28 0.00 0.31 0.00 0.00 61.69 62.45 2jyn s THR 103 Cb -0.41 -0.03 0.00 0.00 0.01 0.00 0.00 72.50 72.07 2jyn s THR 103 CO 0.32 0.01 1.53 -0.76 -0.69 0.00 0.00 174.62 175.04 2jyn s LEU 104 N 0.05 3.52 -0.30 4.42 2.01 -1.25 -2.49 118.68 124.65 2jyn s LEU 104 Ca -0.00 0.83 -0.13 0.00 0.01 0.00 0.00 54.13 54.83 2jyn s LEU 104 Cb -0.01 -3.40 -0.03 0.00 0.01 0.00 0.00 46.19 42.76 2jyn s LEU 104 CO -0.00 -1.60 0.29 -0.22 1.01 0.00 0.00 176.35 175.83 2jyn s LEU 105 N 6.09 4.20 0.08 1.79 2.96 -0.46 -4.78 118.68 128.55 2jyn s LEU 105 Ca 0.65 -0.05 -0.31 0.00 -0.22 0.00 0.00 54.13 54.20 2jyn s LEU 105 Cb -0.15 -2.26 -0.09 0.00 0.50 0.00 0.00 46.19 44.19 2jyn s LEU 105 CO 0.31 -0.18 1.78 0.00 -1.32 0.00 0.00 176.35 176.94 2jyn s ARG 106 N 1.90 4.16 0.18 1.98 1.70 -1.26 -0.47 118.95 127.14 2jyn s ARG 106 Ca 0.10 2.49 -0.09 0.00 -0.47 0.00 0.00 55.73 57.75 2jyn s ARG 106 Cb -0.16 -3.71 0.05 0.00 -0.57 0.00 0.00 34.95 30.56 2jyn s ARG 106 CO 0.11 -0.83 1.62 1.79 -1.08 0.00 0.00 175.30 176.91 2jyn h THR 107 N 4.93 1.27 -2.73 4.99 1.35 -1.23 -3.45 112.91 118.05 2jyn h THR 107 Ca -0.45 -1.21 -0.58 0.00 -0.55 0.00 0.00 66.41 63.62 2jyn h THR 107 Cb 1.21 0.87 -0.08 0.00 -1.73 0.00 0.00 68.15 68.42 2jyn h THR 107 CO 0.94 0.44 -0.60 -0.62 -0.25 0.00 0.00 175.52 175.43 2jyn s ASP 108 N -6.61 5.21 0.00 5.36 2.15 -1.26 -1.53 116.67 119.99 2jyn s ASP 108 Ca -0.12 -0.25 0.28 0.00 0.43 0.00 0.00 52.55 52.89 2jyn s ASP 108 Cb 0.13 -1.26 1.13 0.00 -0.30 0.00 0.00 42.92 42.62 2jyn s ASP 108 CO 0.86 0.07 1.81 0.00 -0.17 0.00 0.00 175.17 177.74 2jyn n ALA 109 N -0.32 2.80 -1.40 3.66 0.00 0.12 -2.95 120.51 122.42 2jyn n ALA 109 Ca -0.09 -0.25 0.08 0.00 0.00 0.00 0.00 53.44 53.18 2jyn n ALA 109 Cb 0.55 -1.33 0.18 0.00 0.00 0.00 0.00 19.45 18.85 2jyn n ALA 109 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jyn n SER 110 N -1.12 1.94 -4.86 0.00 2.88 -1.26 -4.63 113.62 106.57 2jyn n SER 110 Ca 0.12 -3.53 -0.32 0.00 -1.33 0.00 0.00 58.87 53.81 2jyn n SER 110 Cb 0.30 -0.48 -0.06 0.00 -0.75 0.00 0.00 64.21 63.22 2jyn n SER 110 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jyn s ALA 111 N -3.01 3.41 0.00 -1.46 0.00 -1.15 -5.11 121.76 114.44 2jyn s ALA 111 Ca 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.21 2jyn s ALA 111 Cb 0.33 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.81 2jyn s ALA 111 CO -0.03 0.36 0.00 -0.85 0.00 0.00 0.00 175.76 175.24 2jyn n GLU 112 N -0.38 3.27 -2.97 0.00 -0.00 -1.26 -5.01 120.64 114.28 2jyn n GLU 112 Ca 0.02 0.00 -0.44 0.00 -0.00 0.00 0.00 57.16 56.74 2jyn n GLU 112 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 31.44 31.95 2jyn n GLU 112 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.13 178.65 2jyn s TYR 113 N 1.17 3.29 0.29 -1.84 1.13 -1.26 -3.90 117.35 116.23 2jyn s TYR 113 Ca 0.00 -1.66 -0.03 0.00 -1.41 0.00 0.00 57.07 53.97 2jyn s TYR 113 Cb 0.00 -4.25 -0.01 0.00 -1.10 0.00 0.00 41.96 36.60 2jyn s TYR 113 CO 0.00 -1.42 0.38 0.20 -2.51 0.00 0.00 175.55 172.21 2jyn s GLY 114 N 3.26 1.39 0.10 5.49 0.00 -1.26 -5.00 107.32 111.31 2jyn s GLY 114 Ca 0.34 -1.49 -0.13 0.00 0.00 0.00 0.00 44.72 43.44 2jyn s GLY 114 CO -0.07 -1.06 1.35 -1.61 0.00 0.00 0.00 173.10 171.71 2jyn h GLN 115 N 2.24 0.79 0.16 2.90 4.15 -1.93 -1.01 115.11 122.41 2jyn h GLN 115 Ca -0.29 -0.56 -0.30 0.00 0.77 0.00 0.00 58.65 58.27 2jyn h GLN 115 Cb 1.24 0.09 0.01 0.00 0.21 0.00 0.00 27.48 29.03 2jyn h GLN 115 CO 0.41 1.18 -1.40 0.35 -1.93 0.00 0.00 178.83 177.43 2jyn h PHE 116 N 0.53 0.60 -0.00 3.99 3.57 -1.98 -3.35 116.94 120.30 2jyn h PHE 116 Ca -0.01 -0.44 -0.23 0.00 3.53 0.00 0.00 57.97 60.82 2jyn h PHE 116 Cb 1.21 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 39.93 2jyn h PHE 116 CO 0.08 1.39 -0.95 1.79 -2.23 0.00 0.00 178.31 178.39 2jyn h THR 117 N 0.09 1.38 -3.22 4.41 1.35 -1.84 -3.41 112.91 111.67 2jyn h THR 117 Ca -0.20 -2.41 -0.65 0.00 -0.55 0.00 0.00 66.41 62.60 2jyn h THR 117 Cb 2.04 2.40 -0.36 0.00 -1.73 0.00 0.00 68.15 70.50 2jyn h THR 117 CO 0.21 0.72 -0.84 0.42 -0.25 0.00 0.00 175.52 175.78 2jyn s THR 118 N -3.29 1.92 0.07 6.82 -4.23 -0.38 -0.82 115.64 115.72 2jyn s THR 118 Ca -0.06 -0.97 -0.06 0.00 -1.18 0.00 0.00 61.69 59.42 2jyn s THR 118 Cb 0.09 -1.81 -0.05 0.00 1.34 0.00 0.00 72.50 72.06 2jyn s THR 118 CO 0.87 0.41 0.32 0.00 -0.54 0.00 0.00 174.62 175.68 2jyn s PHE 120 N -1.45 2.79 0.18 0.00 0.08 -1.26 -1.36 117.98 116.96 2jyn s PHE 120 Ca 0.33 0.25 0.01 0.00 0.12 0.00 0.00 56.93 57.64 2jyn s PHE 120 Cb -0.13 -4.17 -0.00 0.00 -0.57 0.00 0.00 43.02 38.15 2jyn s PHE 120 CO 0.20 -1.33 0.04 1.33 -0.10 0.00 0.00 175.22 175.37 2jyn n VAL 121 N 6.41 0.00 -2.56 -0.44 0.24 -1.04 -5.00 118.33 115.95 2jyn n VAL 121 Ca 0.05 -0.99 -0.23 0.00 -2.04 0.00 0.00 64.34 61.14 2jyn n VAL 121 Cb 0.48 0.31 0.04 0.00 -1.47 0.00 0.00 33.84 33.20 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 -2.04 2.83 0.19 3.34 -7.23 -1.26 -1.30 120.40 114.92 2jyn s VAL 122 Ca 0.06 -0.49 -0.14 0.00 -1.81 0.00 0.00 61.98 59.60 2jyn s VAL 122 Cb 0.00 -3.10 0.13 0.00 0.56 0.00 0.00 36.38 33.97 2jyn s VAL 122 CO 0.04 -0.08 1.68 0.03 -0.31 0.00 0.00 175.10 176.46 2jyn h ARG 123 N -0.07 0.10 -0.76 4.82 3.08 0.41 -2.45 114.38 119.51 2jyn h ARG 123 Ca -0.43 -0.01 0.11 0.00 0.07 0.00 0.00 59.98 59.72 2jyn h ARG 123 Cb 1.29 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 31.24 2jyn h ARG 123 CO 0.55 0.07 0.38 1.25 -1.07 0.00 0.00 179.97 181.15 2jyn h LEU 124 N 0.10 0.47 -0.06 3.04 7.12 -1.87 -1.24 115.31 122.87 2jyn h LEU 124 Ca 0.25 0.07 -0.16 0.00 0.13 0.00 0.00 57.88 58.18 2jyn h LEU 124 Cb 0.37 -0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.51 2jyn h LEU 124 CO -0.42 0.24 -0.57 1.56 -0.13 0.00 0.00 178.44 179.12 2jyn h GLN 125 N 0.60 0.49 0.07 1.25 1.08 -1.84 -2.53 115.11 114.23 2jyn h GLN 125 Ca 0.39 -0.45 0.02 0.00 -1.45 0.00 0.00 58.65 57.16 2jyn h GLN 125 Cb 0.47 0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.96 2jyn h GLN 125 CO -0.31 1.09 -0.37 0.35 -0.95 0.00 0.00 178.83 178.64 2jyn h PHE 126 N 0.05 -1.04 0.57 2.96 3.57 -0.92 -2.88 116.94 119.25 2jyn h PHE 126 Ca -0.06 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 2jyn h PHE 126 Cb 1.24 0.45 -0.01 0.00 2.79 0.00 0.00 35.95 40.42 2jyn h PHE 126 CO 0.12 -0.47 -0.40 1.88 -2.23 0.00 0.00 178.31 177.21 2jyn h TYR 127 N -0.57 -1.08 -0.32 0.41 0.05 -1.34 -2.76 116.97 111.36 2jyn h TYR 127 Ca 0.04 -0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.88 2jyn h TYR 127 Cb 0.63 0.40 -0.08 0.00 1.01 0.00 0.00 36.73 38.68 2jyn h TYR 127 CO -0.35 -0.59 -0.37 0.00 -1.05 0.00 0.00 178.16 175.80 2jyn h ALA 128 N -0.65 -0.34 -0.32 3.88 0.00 -1.34 0.29 119.26 120.79 2jyn h ALA 128 Ca -0.07 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2jyn h ALA 128 Cb 0.78 0.75 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 2jyn h ALA 128 CO 0.03 -0.80 -0.28 0.74 0.00 0.00 0.00 179.25 178.95 2jyn h PHE 129 N -0.33 0.75 0.00 0.00 0.04 -1.61 -2.93 116.94 112.86 2jyn h PHE 129 Ca 0.14 -0.18 -0.06 0.00 2.80 0.00 0.00 57.97 60.66 2jyn h PHE 129 Cb 0.57 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 2jyn h PHE 129 CO -0.53 0.86 -0.31 1.49 -0.60 0.00 0.00 178.31 179.22 2jyn h GLU 130 N 0.56 0.00 -0.18 1.51 4.57 -0.85 -2.39 114.58 117.80 2jyn h GLU 130 Ca 0.07 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.20 2jyn h GLU 130 Cb 0.76 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.35 2jyn h GLU 130 CO 0.06 0.31 -0.08 0.82 -1.18 0.00 0.00 179.01 178.94 2jyn h ILE 131 N 0.00 1.30 -0.82 2.32 2.04 -0.40 -1.00 117.51 120.96 2jyn h ILE 131 Ca -0.00 -1.12 0.06 0.00 1.00 0.00 0.00 64.86 64.80 2jyn h ILE 131 Cb 1.03 1.66 -0.06 0.00 -0.74 0.00 0.00 36.82 38.70 2jyn h ILE 131 CO 0.04 0.34 0.50 0.00 0.00 0.00 0.00 178.15 179.02 2jyn h ALA 132 N 0.70 1.13 -0.51 1.87 0.00 -1.35 -1.11 119.26 119.98 2jyn h ALA 132 Ca 0.04 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2jyn h ALA 132 Cb 0.55 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2jyn h ALA 132 CO 0.03 0.22 0.04 0.00 0.00 0.00 0.00 179.25 179.54 2jyn h ARG 133 N 0.91 0.87 -0.61 0.00 3.08 -1.35 -1.54 114.38 115.74 2jyn h ARG 133 Ca 0.36 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 2jyn h ARG 133 Cb 0.19 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 2jyn h ARG 133 CO -0.18 0.88 0.23 -0.97 -1.07 0.00 0.00 179.97 178.86 2jyn h ASN 134 N 0.74 0.86 1.06 7.04 -1.24 -0.59 0.16 115.58 123.61 2jyn h ASN 134 Ca 0.15 -0.18 -0.15 0.00 0.71 0.00 0.00 56.30 56.83 2jyn h ASN 134 Cb 0.46 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.27 2jyn h ASN 134 CO 0.02 0.81 -0.70 0.11 -1.29 0.00 0.00 177.43 176.38 2jyn h LYS 135 N 0.86 0.00 -0.02 6.67 1.57 -1.22 -3.17 116.57 121.26 2jyn h LYS 135 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2jyn h LYS 135 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2jyn h LYS 135 CO -0.01 0.70 -0.13 0.72 -0.57 0.00 0.00 179.45 180.16 2jyn n HIS 136 N -3.41 0.00 -2.88 -1.35 8.25 -0.58 -4.98 115.22 110.26 2jyn n HIS 136 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.27 2jyn n HIS 136 Cb 0.77 -0.02 0.03 0.00 1.12 0.00 0.00 29.99 31.88 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 1.30 -0.34 0.07 -1.41 0.00 0.42 -4.91 105.19 100.33 2jyn n GLY 137 Ca 0.15 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.42 0.68 -0.34 0.99 4.77 -0.40 -3.50 117.00 115.78 2jyn n LEU 138 Ca -0.10 0.38 0.03 0.00 -0.03 0.00 0.00 56.01 56.29 2jyn n LEU 138 Cb 0.61 -0.27 0.08 0.00 -2.33 0.00 0.00 43.42 41.50 2jyn n LEU 138 CO 0.40 -0.09 0.54 -0.46 -1.33 0.00 0.00 177.39 176.45 2jyn n ASN 139 N -2.08 2.38 0.21 -1.43 6.94 -1.26 -4.71 115.26 115.32 2jyn n ASN 139 Ca 0.05 -1.91 0.06 0.00 -0.02 0.00 0.00 54.58 52.76 2jyn n ASN 139 Cb 0.42 -0.11 0.48 0.00 -2.36 0.00 0.00 39.78 38.21 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 1.12 0.00 -0.03 0.53 3.58 -1.88 -2.79 116.42 116.96 2jyn h ASP 140 Ca 0.00 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.46 2jyn h ASP 140 Cb 0.58 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.63 2jyn h ASP 140 CO 0.00 0.26 0.03 4.11 -2.88 0.00 0.00 179.24 180.76 2jyn h TRP 141 N 0.00 0.00 0.00 0.28 5.08 -1.84 -2.24 115.95 117.23 2jyn h TRP 141 Ca -0.00 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.89 2jyn h TRP 141 Cb 0.50 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.65 2jyn h TRP 141 CO 0.00 0.00 -0.39 0.82 -1.28 0.00 0.00 178.44 177.59 2jyn h ILE 142 N 0.00 0.98 0.00 0.12 2.04 -1.88 -3.11 117.51 115.67 2jyn h ILE 142 Ca 0.01 -1.49 -0.04 0.00 1.00 0.00 0.00 64.86 64.34 2jyn h ILE 142 Cb 0.06 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2jyn h ILE 142 CO -0.00 0.38 -0.18 -0.37 0.00 0.00 0.00 178.15 177.98 2jyn h VAL 143 N 0.00 0.57 -1.28 1.67 -1.51 -1.53 -3.18 116.25 110.99 2jyn h VAL 143 Ca -0.00 -0.82 -0.55 0.00 -1.23 0.00 0.00 66.70 64.09 2jyn h VAL 143 Cb 0.85 1.54 -0.42 0.00 -2.13 0.00 0.00 31.29 31.13 2jyn h VAL 143 CO 0.05 0.17 -0.80 0.61 -1.23 0.00 0.00 177.57 176.37 2jyn n GLY 144 N -0.30 5.59 3.68 5.19 0.00 -1.17 -4.57 105.19 113.61 2jyn n GLY 144 Ca -0.01 -2.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.01 2jyn n GLY 144 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jyn s GLN 145 N -3.52 4.26 0.00 1.61 -1.52 -1.20 -5.07 119.66 114.22 2jyn s GLN 145 Ca 0.46 2.00 0.05 0.00 -1.95 0.00 0.00 55.36 55.92 2jyn s GLN 145 Cb 0.41 -3.62 0.30 0.00 -0.22 0.00 0.00 33.01 29.88 2jyn s GLN 145 CO -0.12 -0.62 0.77 1.63 -0.25 0.00 0.00 175.29 176.71