#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 6.51 -4.07 7.83 3.41 -1.26 -4.91 113.62 121.13 2jyn n SER 2 Ca 0.00 -3.18 -0.33 0.00 -0.26 0.00 0.00 58.87 55.09 2jyn n SER 2 Cb 0.00 -1.25 -0.13 0.00 -0.26 0.00 0.00 64.21 62.57 2jyn n SER 2 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2jyn s THR 3 N -2.09 2.76 -0.37 6.66 2.01 -1.26 -4.91 115.64 118.44 2jyn s THR 3 Ca 0.59 -2.16 0.21 0.00 0.31 0.00 0.00 61.69 60.64 2jyn s THR 3 Cb 0.37 -2.93 0.26 0.00 0.01 0.00 0.00 72.50 70.21 2jyn s THR 3 CO -0.21 -0.61 1.53 0.15 -0.69 0.00 0.00 174.62 174.79 2jyn h PHE 4 N 7.83 0.00 -3.52 4.92 3.57 -2.01 -3.46 116.94 124.27 2jyn h PHE 4 Ca -0.09 0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.88 2jyn h PHE 4 Cb 1.03 0.00 0.06 0.00 2.79 0.00 0.00 35.95 39.83 2jyn h PHE 4 CO 0.51 0.10 0.73 1.21 -2.23 0.00 0.00 178.31 178.63 2jyn s ASN 5 N -6.19 6.67 -0.20 0.41 2.47 -1.26 -5.02 114.94 111.82 2jyn s ASN 5 Ca 0.06 2.68 -0.05 0.00 0.42 0.00 0.00 52.86 55.97 2jyn s ASN 5 Cb 0.06 -2.63 0.10 0.00 -1.45 0.00 0.00 41.25 37.33 2jyn s ASN 5 CO 0.69 -0.67 0.37 0.00 -3.72 0.00 0.00 177.10 173.78 2jyn s ALA 6 N -0.30 -1.01 0.43 1.71 0.00 -1.26 -4.93 121.76 116.40 2jyn s ALA 6 Ca 0.57 1.21 -0.21 0.00 0.00 0.00 0.00 51.96 53.53 2jyn s ALA 6 Cb -0.41 -1.37 -0.11 0.00 0.00 0.00 0.00 23.12 21.23 2jyn s ALA 6 CO 0.46 -0.89 0.95 -2.00 0.00 0.00 0.00 175.76 174.28 2jyn s GLU 7 N 2.55 4.21 -1.14 0.00 2.12 -1.26 -4.98 118.70 120.21 2jyn s GLU 7 Ca 0.03 1.10 -0.20 0.00 0.36 0.00 0.00 54.97 56.27 2jyn s GLU 7 Cb -0.13 -2.18 -0.05 0.00 0.26 0.00 0.00 34.13 32.03 2jyn s GLU 7 CO -0.13 -0.04 1.96 0.25 -0.54 0.00 0.00 175.26 176.76 2jyn n THR 8 N -0.67 2.65 -3.94 -1.70 -2.24 -1.26 -4.72 114.28 102.39 2jyn n THR 8 Ca 0.07 -2.53 0.02 0.00 -2.27 0.00 0.00 64.05 59.33 2jyn n THR 8 Cb 0.54 -2.35 0.01 0.00 -2.10 0.00 0.00 70.33 66.43 2jyn n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jyn n ALA 9 N 9.14 -2.06 -0.05 6.98 0.00 -1.26 -5.08 120.51 128.17 2jyn n ALA 9 Ca 0.49 -0.45 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 2jyn n ALA 9 Cb 0.43 0.08 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 2jyn n ALA 9 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2jyn h ASP 10 N 1.13 0.00 0.00 0.00 5.19 -2.00 -3.45 116.42 117.29 2jyn h ASP 10 Ca -0.12 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 2jyn h ASP 10 Cb 0.66 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.17 2jyn h ASP 10 CO 0.17 0.53 0.00 -3.20 -3.12 0.00 0.00 179.24 173.62 2jyn n ASN 11 N -4.77 -1.10 0.07 6.45 5.15 -1.26 -2.39 115.26 117.41 2jyn n ASN 11 Ca -0.01 0.00 0.07 0.00 -0.60 0.00 0.00 54.58 54.04 2jyn n ASN 11 Cb 0.02 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.24 2jyn n ASN 11 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2jyn n LEU 12 N 0.00 0.82 0.51 1.20 4.77 -1.26 -4.33 117.00 118.70 2jyn n LEU 12 Ca 0.00 0.33 -0.20 0.00 -0.03 0.00 0.00 56.01 56.11 2jyn n LEU 12 Cb 0.00 -0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 40.99 2jyn n LEU 12 CO 0.00 -0.05 0.52 -0.33 -1.33 0.00 0.00 177.39 176.20 2jyn h GLU 13 N 0.00 -1.25 0.00 3.23 5.08 -1.95 -0.81 114.58 118.88 2jyn h GLU 13 Ca -0.07 0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2jyn h GLU 13 Cb 1.23 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 2jyn h GLU 13 CO 0.02 -0.84 -0.24 0.22 -1.00 0.00 0.00 179.01 177.17 2jyn h ASP 14 N -1.33 0.00 0.13 1.42 3.58 -1.73 -1.01 116.42 117.48 2jyn h ASP 14 Ca -0.13 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.31 2jyn h ASP 14 Cb 1.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.05 2jyn h ASP 14 CO 0.22 0.24 -0.06 0.40 -2.88 0.00 0.00 179.24 177.16 2jyn h ILE 15 N 0.00 1.05 0.00 2.25 1.08 -1.62 -2.72 117.51 117.55 2jyn h ILE 15 Ca -0.00 -0.85 -0.06 0.00 -0.39 0.00 0.00 64.86 63.56 2jyn h ILE 15 Cb 0.74 1.57 -0.01 0.00 -3.07 0.00 0.00 36.82 36.05 2jyn h ILE 15 CO 0.03 0.20 -0.30 -0.33 -0.69 0.00 0.00 178.15 177.06 2jyn h GLU 16 N -0.58 0.00 0.74 2.37 5.08 -0.96 0.39 114.58 121.62 2jyn h GLU 16 Ca -0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2jyn h GLU 16 Cb 0.45 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2jyn h GLU 16 CO 0.03 0.30 -0.45 -0.22 -1.00 0.00 0.00 179.01 177.67 2jyn h LYS 17 N 0.00 -1.07 -0.13 2.33 3.64 -1.20 -1.01 116.57 119.12 2jyn h LYS 17 Ca -0.00 0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 59.29 2jyn h LYS 17 Cb 0.56 0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 2jyn h LYS 17 CO 0.04 -0.72 -0.60 1.96 -2.27 0.00 0.00 179.45 177.87 2jyn h GLN 18 N -1.11 0.45 -0.15 1.90 4.20 -1.31 -2.89 115.11 116.20 2jyn h GLN 18 Ca -0.10 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.29 2jyn h GLN 18 Cb 0.89 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.71 2jyn h GLN 18 CO 0.10 0.91 -0.01 0.35 -0.67 0.00 0.00 178.83 179.51 2jyn h PHE 19 N 0.33 0.29 0.18 2.96 3.57 -0.96 -2.02 116.94 121.30 2jyn h PHE 19 Ca -0.00 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 2jyn h PHE 19 Cb 1.13 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.80 2jyn h PHE 19 CO 0.04 0.52 -0.08 0.00 -2.23 0.00 0.00 178.31 176.55 2jyn h ALA 20 N 0.74 -0.24 -0.29 2.41 0.00 -1.18 -1.99 119.26 118.71 2jyn h ALA 20 Ca 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2jyn h ALA 20 Cb 0.41 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2jyn h ALA 20 CO 0.01 -0.56 0.13 -0.24 0.00 0.00 0.00 179.25 178.59 2jyn h VAL 21 N -0.38 1.16 -0.62 0.00 3.04 -1.57 -0.52 116.25 117.36 2jyn h VAL 21 Ca -0.02 -0.47 -0.10 0.00 -1.01 0.00 0.00 66.70 65.10 2jyn h VAL 21 Cb 0.29 0.93 -0.02 0.00 -2.01 0.00 0.00 31.29 30.48 2jyn h VAL 21 CO 0.04 0.16 0.00 1.62 -1.01 0.00 0.00 177.57 178.39 2jyn h VAL 22 N 0.33 1.27 0.00 1.51 3.04 -1.35 -2.28 116.25 118.76 2jyn h VAL 22 Ca 0.10 -1.16 -0.25 0.00 -1.01 0.00 0.00 66.70 64.39 2jyn h VAL 22 Cb 0.14 0.78 -0.04 0.00 -2.01 0.00 0.00 31.29 30.16 2jyn h VAL 22 CO -0.01 0.42 -1.30 0.00 -1.01 0.00 0.00 177.57 175.67 2jyn h ALA 23 N 1.00 0.52 0.07 3.17 0.00 -1.31 -2.15 119.26 120.56 2jyn h ALA 23 Ca 0.18 -1.14 -0.26 0.00 0.00 0.00 0.00 54.91 53.68 2jyn h ALA 23 Cb 0.56 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.48 2jyn h ALA 23 CO 0.03 1.39 -1.11 -0.24 0.00 0.00 0.00 179.25 179.31 2jyn h VAL 24 N 0.00 1.37 -0.31 0.00 3.04 -1.07 -1.02 116.25 118.27 2jyn h VAL 24 Ca -0.13 -2.56 -0.10 0.00 -1.01 0.00 0.00 66.70 62.90 2jyn h VAL 24 Cb 1.88 2.61 -0.01 0.00 -2.01 0.00 0.00 31.29 33.76 2jyn h VAL 24 CO 0.11 0.77 -0.19 -0.33 -1.01 0.00 0.00 177.57 176.91 2jyn h GLU 25 N 0.23 0.67 -0.65 4.17 4.39 -1.52 -2.36 114.58 119.51 2jyn h GLU 25 Ca -0.13 -0.31 0.06 0.00 0.34 0.00 0.00 59.36 59.32 2jyn h GLU 25 Cb 1.78 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 30.36 2jyn h GLU 25 CO 0.20 0.91 0.34 0.37 -1.16 0.00 0.00 179.01 179.67 2jyn h GLN 26 N 0.43 0.61 -0.11 2.33 5.75 -1.37 -0.66 115.11 122.08 2jyn h GLN 26 Ca 0.06 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 2jyn h GLN 26 Cb 0.73 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 29.14 2jyn h GLN 26 CO 0.05 0.40 0.00 0.00 -2.65 0.00 0.00 178.83 176.64 2jyn h ALA 27 N 1.35 0.15 0.00 3.38 0.00 -1.14 -2.74 119.26 120.26 2jyn h ALA 27 Ca 0.30 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2jyn h ALA 27 Cb 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2jyn h ALA 27 CO -0.20 -0.16 -0.20 1.05 0.00 0.00 0.00 179.25 179.73 2jyn h GLU 28 N -0.08 0.00 -0.46 0.00 -0.00 -1.28 -2.67 114.58 110.09 2jyn h GLU 28 Ca 0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.35 2jyn h GLU 28 Cb 0.35 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.08 2jyn h GLU 28 CO 0.01 0.20 0.12 1.15 -0.00 0.00 0.00 179.01 180.49 2jyn h THR 29 N 0.00 1.23 -0.70 -1.06 2.02 -0.95 -0.38 112.91 113.08 2jyn h THR 29 Ca -0.00 -0.81 0.05 0.00 0.77 0.00 0.00 66.41 66.42 2jyn h THR 29 Cb 0.74 0.88 -0.05 0.00 -1.74 0.00 0.00 68.15 67.98 2jyn h THR 29 CO 0.03 0.29 0.41 1.88 0.37 0.00 0.00 175.52 178.49 2jyn h TYR 30 N 0.62 0.75 -0.30 3.16 0.05 -1.18 0.30 116.97 120.37 2jyn h TYR 30 Ca 0.15 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.97 2jyn h TYR 30 Cb 0.32 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 2jyn h TYR 30 CO 0.02 0.38 0.15 2.35 -1.05 0.00 0.00 178.16 180.02 2jyn h TRP 31 N 0.76 0.29 0.00 4.88 2.91 -1.28 -2.60 115.95 120.91 2jyn h TRP 31 Ca 0.30 0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.25 2jyn h TRP 31 Cb 0.14 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 28.69 2jyn h TRP 31 CO -0.06 0.16 -0.39 0.87 -1.03 0.00 0.00 178.44 177.99 2jyn h LYS 32 N 0.32 0.00 -0.16 2.65 1.79 -0.42 -1.32 116.57 119.43 2jyn h LYS 32 Ca 0.12 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.53 2jyn h LYS 32 Cb 0.03 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.68 2jyn h LYS 32 CO -0.08 0.39 -0.16 -0.07 -1.08 0.00 0.00 179.45 178.45 2jyn h LEU 33 N 0.00 0.43 -0.28 2.94 3.38 -0.80 -2.06 115.31 118.91 2jyn h LEU 33 Ca -0.00 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 2jyn h LEU 33 Cb 0.86 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2jyn h LEU 33 CO 0.05 0.82 -0.06 -0.07 0.09 0.00 0.00 178.44 179.27 2jyn h LEU 34 N 0.04 0.54 -1.88 1.67 4.07 -1.31 -0.62 115.31 117.82 2jyn h LEU 34 Ca 0.03 -0.36 -0.02 0.00 0.08 0.00 0.00 57.88 57.61 2jyn h LEU 34 Cb 0.70 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.29 2jyn h LEU 34 CO 0.04 0.77 -0.09 0.71 -1.08 0.00 0.00 178.44 178.79 2jyn h THR 35 N 0.29 0.35 0.00 0.22 1.35 -1.24 -3.14 112.91 110.75 2jyn h THR 35 Ca 0.07 -0.52 -0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2jyn h THR 35 Cb 0.53 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 68.33 2jyn h THR 35 CO 0.03 0.09 -0.05 -1.28 -0.25 0.00 0.00 175.52 174.05 2jyn h SER 36 N 0.00 0.00 -4.70 5.36 0.87 -1.21 -3.47 113.55 110.40 2jyn h SER 36 Ca -0.00 -0.21 -0.29 0.00 -1.23 0.00 0.00 61.79 60.06 2jyn h SER 36 Cb 0.37 0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 62.13 2jyn h SER 36 CO 0.01 0.63 -0.74 0.68 -0.53 0.00 0.00 176.83 176.89 2jyn s VAL 37 N -1.74 0.64 0.81 2.23 -7.23 -0.25 -5.10 120.40 109.75 2jyn s VAL 37 Ca -0.05 -1.20 -0.11 0.00 -1.81 0.00 0.00 61.98 58.81 2jyn s VAL 37 Cb -0.00 -0.78 0.08 0.00 0.56 0.00 0.00 36.38 36.24 2jyn s VAL 37 CO 0.16 -0.41 1.12 -2.16 -0.31 0.00 0.00 175.10 173.50 2jyn s PRO 38 N -1.83 1.86 0.00 4.82 0.04 -1.26 -3.98 135.00 134.65 2jyn s PRO 38 Ca -0.07 1.34 0.17 0.00 0.04 0.00 0.00 61.00 62.48 2jyn s PRO 38 Cb -0.08 -1.84 0.98 0.00 0.04 0.00 0.00 34.50 33.60 2jyn s PRO 38 CO 0.00 -1.97 1.43 0.41 0.04 0.00 0.00 177.00 176.92 2jyn n GLY 39 N -0.62 -0.59 0.27 0.56 0.00 -1.26 -3.74 105.19 99.82 2jyn n GLY 39 Ca 0.10 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.69 0.74 1.61 0.87 -2.01 -2.97 113.55 111.10 2jyn h SER 40 Ca 0.00 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2jyn h SER 40 Cb 0.03 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2jyn h SER 40 CO 0.00 -0.32 -0.58 2.29 -0.53 0.00 0.00 176.83 177.69 2jyn n LYS 41 N -5.36 0.19 -3.14 2.24 0.00 -1.25 -4.80 118.16 106.05 2jyn n LYS 41 Ca -0.06 0.05 -0.43 0.00 -0.00 0.00 0.00 58.31 57.87 2jyn n LYS 41 Cb 0.27 -1.62 -0.07 0.00 -0.00 0.00 0.00 35.03 33.62 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 -3.79 4.69 0.32 -5.58 1.43 -1.12 -5.05 118.68 109.57 2jyn s LEU 42 Ca 0.08 -0.58 0.09 0.00 -1.03 0.00 0.00 54.13 52.69 2jyn s LEU 42 Cb 0.15 -2.59 -0.05 0.00 0.03 0.00 0.00 46.19 43.73 2jyn s LEU 42 CO 0.71 -0.81 0.03 0.00 0.23 0.00 0.00 176.35 176.51 2jyn s ARG 43 N 2.71 2.19 -0.13 1.70 1.04 -1.26 -4.85 118.95 120.35 2jyn s ARG 43 Ca 0.19 -1.61 -0.18 0.00 -1.04 0.00 0.00 55.73 53.09 2jyn s ARG 43 Cb -0.16 -2.04 -0.25 0.00 -2.04 0.00 0.00 34.95 30.45 2jyn s ARG 43 CO 0.16 0.20 0.50 -0.07 -0.04 0.00 0.00 175.30 176.05 2jyn h LEU 44 N 1.79 0.27 -8.56 -1.89 -0.00 -1.96 -3.49 115.31 101.46 2jyn h LEU 44 Ca -0.43 -0.80 -0.31 0.00 -0.00 0.00 0.00 57.88 56.34 2jyn h LEU 44 Cb 1.25 -0.09 -0.08 0.00 -0.00 0.00 0.00 40.66 41.75 2jyn h LEU 44 CO 0.64 1.54 -0.18 0.42 -0.00 0.00 0.00 178.44 180.86 2jyn s THR 45 N -2.43 0.00 -0.42 0.22 -4.23 -1.26 -4.98 115.64 102.54 2jyn s THR 45 Ca -0.22 -1.61 0.26 0.00 -1.18 0.00 0.00 61.69 58.95 2jyn s THR 45 Cb 0.04 -2.69 0.30 0.00 1.34 0.00 0.00 72.50 71.49 2jyn s THR 45 CO 0.72 0.00 1.78 0.11 -0.54 0.00 0.00 174.62 176.69 2jyn h LYS 46 N 2.07 0.00 -0.29 3.99 1.57 -2.01 -3.13 116.57 118.76 2jyn h LYS 46 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2jyn h LYS 46 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2jyn h LYS 46 CO 0.38 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.45 2jyn n PHE 47 N -2.52 0.39 -0.25 -1.35 3.72 -1.26 -4.74 117.46 111.45 2jyn n PHE 47 Ca 0.03 -0.35 -0.05 0.00 -0.05 0.00 0.00 57.45 57.03 2jyn n PHE 47 Cb 0.33 -0.02 0.10 0.00 -0.94 0.00 0.00 39.48 38.96 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 2.43 1.02 -0.67 4.37 2.03 -1.92 -0.65 116.42 123.03 2jyn h ASP 48 Ca 0.00 -0.16 0.01 0.00 -0.73 0.00 0.00 57.03 56.15 2jyn h ASP 48 Cb 0.71 -0.26 -0.03 0.00 -0.83 0.00 0.00 39.33 38.91 2jyn h ASP 48 CO 0.00 0.91 0.44 -0.78 -1.03 0.00 0.00 179.24 178.79 2jyn h ASP 49 N 1.08 0.77 0.95 4.15 3.58 -1.85 -2.19 116.42 122.91 2jyn h ASP 49 Ca 0.25 -0.02 -0.10 0.00 0.42 0.00 0.00 57.03 57.57 2jyn h ASP 49 Cb 0.22 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 2jyn h ASP 49 CO -0.02 0.56 -0.49 1.05 -2.88 0.00 0.00 179.24 177.46 2jyn h GLU 50 N 0.91 0.00 -0.78 0.28 4.11 -1.71 -2.80 114.58 114.58 2jyn h GLU 50 Ca 0.25 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.71 2jyn h GLU 50 Cb -0.10 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 2jyn h GLU 50 CO -0.05 0.49 0.50 0.82 0.07 0.00 0.00 179.01 180.84 2jyn h ILE 51 N 0.00 1.11 -0.15 -1.06 2.04 -0.51 0.59 117.51 119.54 2jyn h ILE 51 Ca -0.00 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 2jyn h ILE 51 Cb 1.10 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2jyn h ILE 51 CO 0.06 0.18 0.07 0.22 0.00 0.00 0.00 178.15 178.68 2jyn h TYR 52 N 0.96 0.21 0.72 1.37 3.20 -1.44 -2.44 116.97 119.55 2jyn h TYR 52 Ca 0.32 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.15 2jyn h TYR 52 Cb 0.03 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.23 2jyn h TYR 52 CO -0.03 0.25 -0.44 0.93 -1.64 0.00 0.00 178.16 177.23 2jyn h GLU 53 N 0.11 -1.06 -0.19 1.82 4.39 -1.06 -1.11 114.58 117.49 2jyn h GLU 53 Ca 0.05 0.07 0.05 0.00 0.34 0.00 0.00 59.36 59.88 2jyn h GLU 53 Cb 0.12 0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2jyn h GLU 53 CO -0.01 -0.70 0.14 -0.91 -1.16 0.00 0.00 179.01 176.37 2jyn h ASN 54 N -1.10 0.00 -0.19 1.42 2.35 -1.02 0.93 115.58 117.98 2jyn h ASN 54 Ca -0.09 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.62 2jyn h ASN 54 Cb 0.88 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 2jyn h ASN 54 CO 0.09 0.00 -0.04 0.15 -1.65 0.00 0.00 177.43 175.99 2jyn h PHE 55 N 0.00 0.40 -0.00 1.19 3.57 -1.04 -1.94 116.94 119.12 2jyn h PHE 55 Ca 0.09 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2jyn h PHE 55 Cb 0.37 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.01 2jyn h PHE 55 CO 0.00 0.60 -0.09 0.00 -2.23 0.00 0.00 178.31 176.60 2jyn n MET 56 N -4.65 0.20 -0.08 1.11 0.00 -0.46 -1.08 117.12 112.16 2jyn n MET 56 Ca -0.05 -0.04 -0.12 0.00 0.00 0.00 0.00 57.70 57.49 2jyn n MET 56 Cb 0.27 -1.50 -0.07 0.00 0.00 0.00 0.00 33.22 31.91 2jyn n MET 56 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2jyn h GLU 57 N 0.09 0.00 0.02 3.17 5.08 -0.82 -3.17 114.58 118.94 2jyn h GLU 57 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 2jyn h GLU 57 Cb 0.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2jyn h GLU 57 CO 0.00 0.58 -0.98 0.00 -1.00 0.00 0.00 179.01 177.61 2jyn h ARG 58 N -1.00 0.07 -2.28 2.33 -0.00 -1.43 -3.37 114.38 108.70 2jyn h ARG 58 Ca -0.13 -0.11 -0.59 0.00 -0.50 0.00 0.00 59.98 58.66 2jyn h ARG 58 Cb 0.82 0.04 -0.41 0.00 0.00 0.00 0.00 29.97 30.42 2jyn h ARG 58 CO -0.08 0.99 -0.79 1.19 0.00 0.00 0.00 179.97 181.28 2jyn n PHE 59 N -3.47 1.83 1.63 3.04 3.01 -0.24 -4.94 117.46 118.31 2jyn n PHE 59 Ca -0.02 -3.90 0.03 0.00 1.01 0.00 0.00 57.45 54.57 2jyn n PHE 59 Cb 0.90 -0.41 0.18 0.00 -0.01 0.00 0.00 39.48 40.14 2jyn n PHE 59 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2jyn n PRO 60 N 1.41 0.81 0.09 -1.08 -0.04 -1.20 -3.26 135.00 131.73 2jyn n PRO 60 Ca 0.26 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.65 2jyn n PRO 60 Cb 0.45 -1.12 0.02 0.00 -0.04 0.00 0.00 33.50 32.81 2jyn n PRO 60 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2jyn h GLU 61 N 0.00 0.16 -0.00 0.54 4.11 -1.91 -3.25 114.58 114.23 2jyn h GLU 61 Ca 0.00 -0.17 0.00 0.00 0.07 0.00 0.00 59.36 59.26 2jyn h GLU 61 Cb 0.00 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2jyn h GLU 61 CO 0.00 0.89 -0.06 2.48 0.07 0.00 0.00 179.01 182.39 2jyn n TYR 62 N -3.68 0.00 0.21 2.06 4.11 -1.20 -4.11 117.16 114.54 2jyn n TYR 62 Ca -0.03 0.00 0.18 0.00 -0.00 0.00 0.00 57.90 58.05 2jyn n TYR 62 Cb 0.77 -0.39 0.83 0.00 -0.00 0.00 0.00 39.34 40.55 2jyn n TYR 62 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.86 178.43 2jyn h LYS 63 N 0.05 0.00 -6.96 -3.48 2.10 -1.77 -3.27 116.57 103.24 2jyn h LYS 63 Ca 0.00 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.11 2jyn h LYS 63 Cb 0.43 0.00 0.11 0.00 -0.90 0.00 0.00 32.23 31.87 2jyn h LYS 63 CO 0.00 0.00 0.73 0.34 -2.00 0.00 0.00 179.45 178.52 2jyn s ASP 64 N -5.41 6.15 0.24 7.07 2.15 -1.26 -4.88 116.67 120.74 2jyn s ASP 64 Ca -0.04 2.96 -0.05 0.00 0.43 0.00 0.00 52.55 55.84 2jyn s ASP 64 Cb 0.14 -2.66 0.35 0.00 -0.30 0.00 0.00 42.92 40.45 2jyn s ASP 64 CO 0.50 -0.99 1.82 0.58 -0.17 0.00 0.00 175.17 176.91 2jyn h VAL 65 N 2.65 0.97 -0.03 1.11 2.07 -1.97 -1.71 116.25 119.33 2jyn h VAL 65 Ca -0.51 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 66.65 2jyn h VAL 65 Cb 1.25 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2jyn h VAL 65 CO 0.63 0.15 -0.34 -0.33 0.02 0.00 0.00 177.57 177.70 2jyn h GLU 66 N 0.84 0.05 0.01 1.57 4.39 -1.92 -0.19 114.58 119.33 2jyn h GLU 66 Ca 0.37 -0.02 -0.20 0.00 0.34 0.00 0.00 59.36 59.86 2jyn h GLU 66 Cb 0.27 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2jyn h GLU 66 CO -0.21 0.39 -0.90 0.00 -1.16 0.00 0.00 179.01 177.13 2jyn h ARG 67 N 0.05 0.16 0.03 2.33 2.47 -1.54 -3.11 114.38 114.77 2jyn h ARG 67 Ca 0.00 -0.19 -0.13 0.00 -1.26 0.00 0.00 59.98 58.41 2jyn h ARG 67 Cb 0.62 0.06 0.01 0.00 -1.65 0.00 0.00 29.97 29.01 2jyn h ARG 67 CO 0.05 0.95 -0.51 0.28 0.56 0.00 0.00 179.97 181.30 2jyn h VAL 68 N 0.09 1.50 0.11 2.04 2.07 -0.91 -3.39 116.25 117.75 2jyn h VAL 68 Ca -0.04 -2.14 -0.01 0.00 0.82 0.00 0.00 66.70 65.33 2jyn h VAL 68 Cb 1.54 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 34.11 2jyn h VAL 68 CO 0.13 0.61 -0.05 0.07 0.02 0.00 0.00 177.57 178.35 2jyn h LYS 69 N -0.31 -0.14 -5.37 1.57 2.10 -1.16 -3.43 116.57 109.83 2jyn h LYS 69 Ca -0.07 0.01 -0.44 0.00 -2.00 0.00 0.00 60.65 58.15 2jyn h LYS 69 Cb 1.27 0.03 -0.14 0.00 -0.90 0.00 0.00 32.23 32.49 2jyn h LYS 69 CO 0.10 0.33 -0.68 -1.59 -2.00 0.00 0.00 179.45 175.61 2jyn s LYS 70 N -3.89 1.41 0.37 0.07 0.00 -1.17 -0.57 119.74 115.95 2jyn s LYS 70 Ca -0.15 -1.69 -0.08 0.00 0.00 0.00 0.00 55.97 54.05 2jyn s LYS 70 Cb 0.01 -0.96 0.03 0.00 0.00 0.00 0.00 37.83 36.90 2jyn s LYS 70 CO 0.58 0.03 0.62 -0.59 0.00 0.00 0.00 175.35 175.99 2jyn s PHE 71 N -3.14 0.68 0.26 1.78 -0.12 -0.58 -4.35 117.98 112.51 2jyn s PHE 71 Ca 0.27 -1.11 0.09 0.00 -0.05 0.00 0.00 56.93 56.13 2jyn s PHE 71 Cb 0.03 0.32 -0.05 0.00 -0.63 0.00 0.00 43.02 42.69 2jyn s PHE 71 CO 0.09 -1.35 -0.15 0.99 -0.05 0.00 0.00 175.22 174.75 2jyn s THR 72 N -2.64 2.07 0.40 -4.49 2.01 -1.26 -4.81 115.64 106.92 2jyn s THR 72 Ca 0.24 -2.28 0.18 0.00 0.31 0.00 0.00 61.69 60.15 2jyn s THR 72 Cb -0.03 -2.27 0.19 0.00 0.01 0.00 0.00 72.50 70.41 2jyn s THR 72 CO 0.17 -0.44 1.96 1.05 -0.69 0.00 0.00 174.62 176.67 2jyn h GLU 73 N 2.35 0.00 -0.81 4.92 4.11 -2.00 -3.20 114.58 119.95 2jyn h GLU 73 Ca -0.39 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.06 2jyn h GLU 73 Cb 1.24 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.44 2jyn h GLU 73 CO 0.63 0.23 0.52 0.93 0.07 0.00 0.00 179.01 181.39 2jyn h GLU 74 N 0.00 1.00 -0.04 1.06 5.08 -1.98 -0.35 114.58 119.35 2jyn h GLU 74 Ca -0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2jyn h GLU 74 Cb 0.45 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2jyn h GLU 74 CO 0.03 0.66 0.00 -0.85 -1.00 0.00 0.00 179.01 177.85 2jyn n GLU 75 N -4.57 1.16 -0.07 2.33 0.28 -1.21 -2.04 120.64 116.52 2jyn n GLU 75 Ca 0.09 -0.24 -0.09 0.00 -0.16 0.00 0.00 57.16 56.76 2jyn n GLU 75 Cb 0.07 -1.28 -0.08 0.00 1.43 0.00 0.00 31.44 31.58 2jyn n GLU 75 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2jyn n LEU 76 N -0.51 1.76 0.04 -1.84 4.77 -0.52 -4.73 117.00 115.97 2jyn n LEU 76 Ca 0.13 -0.05 -0.03 0.00 -0.03 0.00 0.00 56.01 56.03 2jyn n LEU 76 Cb 0.11 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 40.92 2jyn n LEU 76 CO 0.10 0.58 -0.13 0.11 -1.33 0.00 0.00 177.39 176.72 2jyn h LYS 77 N 0.00 0.00 -7.15 3.23 1.57 -0.91 -3.37 116.57 109.93 2jyn h LYS 77 Ca -0.35 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.90 2jyn h LYS 77 Cb 1.64 0.00 0.14 0.00 0.08 0.00 0.00 32.23 34.09 2jyn h LYS 77 CO -0.02 0.51 0.42 -0.08 -0.57 0.00 0.00 179.45 179.70 2jyn s THR 78 N -2.81 2.46 0.24 -0.16 -1.32 -0.87 -4.81 115.64 108.38 2jyn s THR 78 Ca -0.01 0.24 -0.05 0.00 -1.21 0.00 0.00 61.69 60.66 2jyn s THR 78 Cb 0.09 -2.90 0.22 0.00 -1.51 0.00 0.00 72.50 68.40 2jyn s THR 78 CO 0.80 -0.10 1.85 0.50 -2.21 0.00 0.00 174.62 175.47 2jyn h LYS 79 N 0.11 0.97 -0.85 7.08 3.64 -1.92 -1.20 116.57 124.40 2jyn h LYS 79 Ca -0.49 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 58.83 2jyn h LYS 79 Cb 1.29 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.86 2jyn h LYS 79 CO 0.52 0.64 0.51 0.93 -2.27 0.00 0.00 179.45 179.78 2jyn h GLU 80 N 1.00 1.15 -0.50 1.90 4.39 -1.97 -2.70 114.58 117.85 2jyn h GLU 80 Ca 0.38 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.89 2jyn h GLU 80 Cb 0.17 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 2jyn h GLU 80 CO -0.17 0.81 -0.05 0.00 -1.16 0.00 0.00 179.01 178.43 2jyn h ALA 81 N 1.28 0.97 -0.82 3.43 0.00 -1.54 -1.22 119.26 121.36 2jyn h ALA 81 Ca 0.30 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2jyn h ALA 81 Cb -0.05 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 2jyn h ALA 81 CO -0.06 0.62 0.52 0.87 0.00 0.00 0.00 179.25 181.20 2jyn h LYS 82 N 0.80 0.96 -0.12 0.00 1.57 -1.05 -0.67 116.57 118.06 2jyn h LYS 82 Ca 0.14 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2jyn h LYS 82 Cb 0.55 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 2jyn h LYS 82 CO 0.03 0.63 -0.01 0.93 -0.57 0.00 0.00 179.45 180.47 2jyn h GLU 83 N 0.99 0.22 -0.22 3.15 4.39 -1.21 -2.36 114.58 119.54 2jyn h GLU 83 Ca 0.34 -0.07 0.05 0.00 0.34 0.00 0.00 59.36 60.02 2jyn h GLU 83 Cb 0.06 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.62 2jyn h GLU 83 CO -0.13 0.48 -0.39 0.00 -1.16 0.00 0.00 179.01 177.81 2jyn h ARG 84 N -0.06 -0.39 0.00 2.33 3.08 -0.69 -0.96 114.38 117.68 2jyn h ARG 84 Ca 0.03 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 2jyn h ARG 84 Cb 0.38 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 2jyn h ARG 84 CO 0.01 -0.26 -0.17 -1.49 -1.07 0.00 0.00 179.97 176.99 2jyn h TRP 85 N -0.41 0.00 0.21 3.04 -0.00 -1.19 -0.59 115.95 117.00 2jyn h TRP 85 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.98 2jyn h TRP 85 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.75 2jyn h TRP 85 CO -0.50 0.17 -0.10 -0.09 -0.00 0.00 0.00 178.44 177.92 2jyn h ARG 86 N 0.00 -0.27 -0.08 0.49 2.43 -0.73 -0.93 114.38 115.29 2jyn h ARG 86 Ca -0.00 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2jyn h ARG 86 Cb 0.51 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2jyn h ARG 86 CO 0.02 0.12 0.09 0.87 -1.51 0.00 0.00 179.97 179.56 2jyn h LYS 87 N -0.87 0.00 0.06 0.20 6.56 -1.05 -2.16 116.57 119.30 2jyn h LYS 87 Ca -0.03 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.56 2jyn h LYS 87 Cb 0.51 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.17 2jyn h LYS 87 CO 0.05 0.00 -0.03 0.35 -2.06 0.00 0.00 179.45 177.76 2jyn h PHE 88 N 0.00 -0.07 0.00 -1.35 3.57 -1.09 -3.33 116.94 114.67 2jyn h PHE 88 Ca 0.04 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 2jyn h PHE 88 Cb 0.22 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 2jyn h PHE 88 CO 0.00 0.53 -0.41 0.27 -2.23 0.00 0.00 178.31 176.47 2jyn h PHE 89 N -0.85 0.00 0.00 0.41 -5.15 -0.90 -2.69 116.94 107.76 2jyn h PHE 89 Ca -0.01 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.76 2jyn h PHE 89 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.81 2jyn h PHE 89 CO 0.15 0.41 0.00 1.79 -2.00 0.00 0.00 178.31 178.66 2jyn h THR 90 N 0.00 0.00 -0.32 0.88 1.35 -1.54 0.28 112.91 113.56 2jyn h THR 90 Ca -0.00 -0.22 -0.17 0.00 -0.55 0.00 0.00 66.41 65.47 2jyn h THR 90 Cb 0.96 1.01 -0.00 0.00 -1.73 0.00 0.00 68.15 68.39 2jyn h THR 90 CO 0.05 0.00 -0.45 0.40 -0.25 0.00 0.00 175.52 175.27 2jyn h ILE 91 N 0.00 1.28 -0.00 6.82 2.04 -1.58 -3.37 117.51 122.69 2jyn h ILE 91 Ca 0.00 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.23 2jyn h ILE 91 Cb 0.28 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 2jyn h ILE 91 CO 0.00 0.53 -0.80 0.49 0.00 0.00 0.00 178.15 178.37 2jyn n PHE 92 N -4.07 0.00 0.26 1.37 3.72 -0.36 -4.20 117.46 114.17 2jyn n PHE 92 Ca -0.04 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.52 2jyn n PHE 92 Cb 0.58 0.00 0.87 0.00 -0.94 0.00 0.00 39.48 39.99 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 0.63 0.00 -0.25 -1.08 4.11 -0.66 0.56 114.58 117.88 2jyn h GLU 93 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.28 2jyn h GLU 93 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2jyn h GLU 93 CO 0.00 0.00 -0.46 0.87 0.07 0.00 0.00 179.01 179.49 2jyn h LYS 94 N 0.00 0.65 0.00 1.06 1.79 -1.83 -3.39 116.57 114.86 2jyn h LYS 94 Ca 0.04 -0.36 -0.05 0.00 -2.18 0.00 0.00 60.65 58.10 2jyn h LYS 94 Cb 0.22 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 2jyn h LYS 94 CO -0.00 0.97 -0.72 0.36 -1.08 0.00 0.00 179.45 178.98 2jyn n LYS 95 N -4.01 0.22 -2.58 3.15 0.00 -0.61 -4.83 118.16 109.49 2jyn n LYS 95 Ca -0.02 0.09 -0.41 0.00 -0.00 0.00 0.00 58.31 57.96 2jyn n LYS 95 Cb 0.56 -0.87 -0.03 0.00 -0.00 0.00 0.00 35.03 34.68 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 -2.32 3.96 0.09 0.58 -1.09 0.19 -4.84 121.20 117.77 2jyn s ILE 96 Ca -0.13 -0.78 -0.15 0.00 -2.23 0.00 0.00 60.65 57.37 2jyn s ILE 96 Cb 0.03 -5.04 -0.13 0.00 -1.58 0.00 0.00 42.46 35.73 2jyn s ILE 96 CO 0.18 -1.91 1.33 -0.33 -1.23 0.00 0.00 174.94 172.97 2jyn h GLU 97 N 9.75 0.71 -2.96 2.79 5.08 -1.75 -3.34 114.58 124.86 2jyn h GLU 97 Ca 0.19 -0.50 -0.79 0.00 -1.00 0.00 0.00 59.36 57.26 2jyn h GLU 97 Cb 1.01 0.08 -0.23 0.00 0.50 0.00 0.00 28.75 30.11 2jyn h GLU 97 CO 1.41 1.12 1.31 -3.47 -1.00 0.00 0.00 179.01 178.38 2jyn n ASP 98 N -4.12 6.32 -0.02 1.42 2.03 -1.26 -4.64 116.55 116.28 2jyn n ASP 98 Ca -0.06 -3.35 -0.01 0.00 0.52 0.00 0.00 54.79 51.89 2jyn n ASP 98 Cb 0.61 -1.32 -0.12 0.00 -0.72 0.00 0.00 41.12 39.56 2jyn n ASP 98 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jyn n TYR 99 N 1.88 0.50 -0.87 -0.67 4.11 -1.25 -4.36 117.16 116.50 2jyn n TYR 99 Ca 0.36 0.17 0.02 0.00 -0.00 0.00 0.00 57.90 58.45 2jyn n TYR 99 Cb 0.32 -0.95 0.36 0.00 -0.00 0.00 0.00 39.34 39.07 2jyn n TYR 99 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.86 177.13 2jyn n ASN 100 N -2.73 5.27 0.30 9.48 6.94 -1.26 -1.01 115.26 132.24 2jyn n ASN 100 Ca -0.16 -2.99 -0.13 0.00 -0.02 0.00 0.00 54.58 51.28 2jyn n ASN 100 Cb 0.89 -0.70 -0.07 0.00 -2.36 0.00 0.00 39.78 37.54 2jyn n ASN 100 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 2jyn h PHE 101 N 3.38 -0.74 0.00 -2.53 3.57 -1.93 -3.44 116.94 115.25 2jyn h PHE 101 Ca 0.10 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2jyn h PHE 101 Cb 2.06 0.25 0.00 0.00 2.79 0.00 0.00 35.95 41.05 2jyn h PHE 101 CO 1.13 -0.44 0.00 0.41 -2.23 0.00 0.00 178.31 177.18 2jyn n GLY 102 N -0.38 2.62 2.91 2.40 0.00 -1.26 -4.83 105.19 106.66 2jyn n GLY 102 Ca -0.11 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.40 2.61 2.01 -0.32 -4.65 115.64 114.95 2jyn s THR 103 Ca 0.00 -0.27 -0.28 0.00 0.31 0.00 0.00 61.69 61.45 2jyn s THR 103 Cb 0.00 -0.11 -0.00 0.00 0.01 0.00 0.00 72.50 72.40 2jyn s THR 103 CO 0.00 -0.13 1.55 -0.76 -0.69 0.00 0.00 174.62 174.60 2jyn s LEU 104 N -0.41 3.54 -0.14 4.42 1.02 -1.26 -2.26 118.68 123.59 2jyn s LEU 104 Ca -0.04 0.93 -0.12 0.00 0.02 0.00 0.00 54.13 54.91 2jyn s LEU 104 Cb -0.03 -3.47 -0.05 0.00 0.02 0.00 0.00 46.19 42.67 2jyn s LEU 104 CO -0.00 -1.57 0.27 -0.22 0.02 0.00 0.00 176.35 174.84 2jyn s LEU 105 N 6.07 4.29 0.18 1.79 2.96 -0.50 -4.82 118.68 128.65 2jyn s LEU 105 Ca 0.67 0.53 -0.31 0.00 -0.22 0.00 0.00 54.13 54.80 2jyn s LEU 105 Cb -0.16 -2.32 -0.09 0.00 0.50 0.00 0.00 46.19 44.12 2jyn s LEU 105 CO 0.32 0.18 1.37 0.00 -1.32 0.00 0.00 176.35 176.91 2jyn s ARG 106 N 0.03 4.34 0.00 1.98 3.03 -1.26 -1.09 118.95 125.98 2jyn s ARG 106 Ca 0.16 2.12 0.24 0.00 2.03 0.00 0.00 55.73 60.27 2jyn s ARG 106 Cb -0.13 -3.20 1.01 0.00 -1.03 0.00 0.00 34.95 31.60 2jyn s ARG 106 CO 0.04 -0.36 1.75 0.25 -1.13 0.00 0.00 175.30 175.86 2jyn n THR 107 N 3.12 0.38 -3.83 4.99 -2.24 -0.57 -4.84 114.28 111.28 2jyn n THR 107 Ca 0.08 0.09 -0.09 0.00 -2.27 0.00 0.00 64.05 61.87 2jyn n THR 107 Cb 0.42 -0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 67.90 2jyn n THR 107 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jyn s ASP 108 N -2.99 0.00 0.10 3.42 2.15 -1.25 -1.52 116.67 116.58 2jyn s ASP 108 Ca 0.12 -0.63 -0.28 0.00 0.43 0.00 0.00 52.55 52.19 2jyn s ASP 108 Cb 0.15 0.41 -0.10 0.00 -0.30 0.00 0.00 42.92 43.08 2jyn s ASP 108 CO 0.43 -0.82 1.64 0.00 -0.17 0.00 0.00 175.17 176.25 2jyn h ALA 109 N 2.58 -0.47 -0.29 3.66 0.00 -1.12 -2.87 119.26 120.75 2jyn h ALA 109 Ca -0.33 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2jyn h ALA 109 Cb 1.22 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2jyn h ALA 109 CO 0.51 -0.80 0.00 0.43 0.00 0.00 0.00 179.25 179.39 2jyn n SER 110 N -5.37 2.85 -4.79 0.00 7.64 -1.26 -4.78 113.62 107.90 2jyn n SER 110 Ca -0.08 -2.32 -0.36 0.00 1.01 0.00 0.00 58.87 57.13 2jyn n SER 110 Cb 0.28 -0.49 -0.06 0.00 -1.01 0.00 0.00 64.21 62.93 2jyn n SER 110 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jyn s ALA 111 N -1.75 3.13 0.00 -0.43 0.00 -1.08 -5.09 121.76 116.54 2jyn s ALA 111 Ca 0.25 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.75 2jyn s ALA 111 Cb 0.17 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 20.10 2jyn s ALA 111 CO 0.10 0.06 0.00 -0.85 0.00 0.00 0.00 175.76 175.06 2jyn n GLU 112 N 0.06 2.79 -3.07 0.00 0.28 -1.26 -4.92 120.64 114.53 2jyn n GLU 112 Ca 0.04 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.60 2jyn n GLU 112 Cb 0.51 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.33 2jyn n GLU 112 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 2jyn s TYR 113 N 1.24 2.94 0.26 -1.84 1.13 -1.26 -4.06 117.35 115.75 2jyn s TYR 113 Ca 0.00 -0.78 -0.13 0.00 -1.41 0.00 0.00 57.07 54.75 2jyn s TYR 113 Cb 0.00 -3.97 0.05 0.00 -1.10 0.00 0.00 41.96 36.93 2jyn s TYR 113 CO 0.00 -1.31 0.66 0.41 -2.51 0.00 0.00 175.55 172.80 2jyn n GLY 114 N 5.27 1.09 0.06 5.49 0.00 -1.26 -4.96 105.19 110.87 2jyn n GLY 114 Ca -0.08 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 2jyn n GLY 114 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2jyn h GLN 115 N 0.00 -0.04 0.00 1.61 4.15 -1.95 0.40 115.11 119.29 2jyn h GLN 115 Ca -0.24 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.18 2jyn h GLN 115 Cb 0.94 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.64 2jyn h GLN 115 CO 0.31 0.15 -0.31 1.19 -1.93 0.00 0.00 178.83 178.24 2jyn n PHE 116 N -5.02 0.67 0.48 3.99 3.72 -1.26 -4.05 117.46 115.99 2jyn n PHE 116 Ca -0.08 0.19 0.06 0.00 -0.05 0.00 0.00 57.45 57.57 2jyn n PHE 116 Cb 0.12 -0.76 -0.07 0.00 -0.94 0.00 0.00 39.48 37.84 2jyn n PHE 116 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2jyn n THR 117 N -2.12 0.00 -3.69 4.37 -2.24 -1.17 -4.76 114.28 104.68 2jyn n THR 117 Ca 0.05 -0.23 -0.16 0.00 -2.27 0.00 0.00 64.05 61.43 2jyn n THR 117 Cb 0.43 0.91 -0.16 0.00 -2.10 0.00 0.00 70.33 69.41 2jyn n THR 117 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2jyn s THR 118 N -2.19 -0.20 -0.08 4.28 -4.23 0.12 -1.52 115.64 111.83 2jyn s THR 118 Ca 0.03 0.32 -0.04 0.00 -1.18 0.00 0.00 61.69 60.82 2jyn s THR 118 Cb 0.09 -0.27 -0.04 0.00 1.34 0.00 0.00 72.50 73.62 2jyn s THR 118 CO 0.48 0.13 0.11 0.00 -0.54 0.00 0.00 174.62 174.81 2jyn s PHE 120 N -1.07 2.35 0.42 0.00 0.40 -1.26 -1.40 117.98 117.41 2jyn s PHE 120 Ca 0.18 0.60 0.00 0.00 -0.60 0.00 0.00 56.93 57.11 2jyn s PHE 120 Cb -0.12 -4.34 0.00 0.00 0.51 0.00 0.00 43.02 39.07 2jyn s PHE 120 CO 0.07 -1.97 0.01 1.33 0.70 0.00 0.00 175.22 175.36 2jyn n VAL 121 N 7.01 0.00 -1.73 -0.44 0.24 -0.96 -4.99 118.33 117.45 2jyn n VAL 121 Ca 0.15 -1.99 -0.30 0.00 -2.04 0.00 0.00 64.34 60.16 2jyn n VAL 121 Cb 0.49 0.39 0.07 0.00 -1.47 0.00 0.00 33.84 33.31 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 -2.52 3.27 0.39 3.34 -7.23 -1.26 -1.17 120.40 115.22 2jyn s VAL 122 Ca 0.00 0.41 0.25 0.00 -1.81 0.00 0.00 61.98 60.84 2jyn s VAL 122 Cb -0.00 -3.29 0.27 0.00 0.56 0.00 0.00 36.38 33.91 2jyn s VAL 122 CO 0.00 -0.54 2.03 -0.09 -0.31 0.00 0.00 175.10 176.19 2jyn h ARG 123 N -0.86 0.00 -0.05 4.82 2.43 -1.49 -2.38 114.38 116.85 2jyn h ARG 123 Ca -0.46 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.69 2jyn h ARG 123 Cb 1.26 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2jyn h ARG 123 CO 0.62 0.15 -0.06 1.25 -1.51 0.00 0.00 179.97 180.42 2jyn h LEU 124 N 0.00 0.14 -1.04 3.80 7.12 -1.37 -2.46 115.31 121.50 2jyn h LEU 124 Ca -0.00 -0.50 -0.04 0.00 0.13 0.00 0.00 57.88 57.47 2jyn h LEU 124 Cb 0.39 -0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.45 2jyn h LEU 124 CO 0.02 0.61 0.21 1.56 -0.13 0.00 0.00 178.44 180.71 2jyn h GLN 125 N -0.33 0.90 0.04 1.25 4.20 -1.74 -0.37 115.11 119.06 2jyn h GLN 125 Ca 0.01 -0.16 0.03 0.00 0.06 0.00 0.00 58.65 58.59 2jyn h GLN 125 Cb 0.58 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 2jyn h GLN 125 CO 0.01 0.76 -0.29 0.35 -0.67 0.00 0.00 178.83 178.99 2jyn h PHE 126 N 0.88 -0.80 -0.14 2.96 3.57 -1.47 -2.90 116.94 119.05 2jyn h PHE 126 Ca 0.20 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.77 2jyn h PHE 126 Cb 0.22 0.35 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 2jyn h PHE 126 CO 0.02 -0.39 -0.16 1.88 -2.23 0.00 0.00 178.31 177.43 2jyn h TYR 127 N -0.47 -0.40 -0.28 0.41 0.05 -0.90 -1.64 116.97 113.75 2jyn h TYR 127 Ca 0.05 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.89 2jyn h TYR 127 Cb 0.53 0.20 -0.07 0.00 1.01 0.00 0.00 36.73 38.40 2jyn h TYR 127 CO -0.30 -0.23 -0.52 0.00 -1.05 0.00 0.00 178.16 176.06 2jyn h ALA 128 N 0.86 -0.80 -0.03 3.88 0.00 -0.96 -0.63 119.26 121.58 2jyn h ALA 128 Ca 0.10 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.73 2jyn h ALA 128 Cb 0.33 1.06 0.01 0.00 0.00 0.00 0.00 17.79 19.20 2jyn h ALA 128 CO -0.25 -1.03 -0.97 0.74 0.00 0.00 0.00 179.25 177.74 2jyn h PHE 129 N -0.45 0.95 -0.42 0.00 -1.00 -1.54 -2.95 116.94 111.54 2jyn h PHE 129 Ca 0.05 -0.49 -0.07 0.00 2.81 0.00 0.00 57.97 60.27 2jyn h PHE 129 Cb 0.59 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 40.02 2jyn h PHE 129 CO -0.66 1.33 -0.02 1.49 -1.61 0.00 0.00 178.31 178.83 2jyn h GLU 130 N 0.38 0.75 -0.61 1.51 4.57 -1.01 -0.86 114.58 119.31 2jyn h GLU 130 Ca -0.10 -0.25 -0.09 0.00 -1.18 0.00 0.00 59.36 57.74 2jyn h GLU 130 Cb 1.61 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 30.11 2jyn h GLU 130 CO 0.19 0.83 0.05 0.82 -1.18 0.00 0.00 179.01 179.72 2jyn h ILE 131 N 0.58 1.26 -0.25 2.32 2.04 -1.23 0.60 117.51 122.83 2jyn h ILE 131 Ca 0.12 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 64.90 2jyn h ILE 131 Cb 0.51 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2jyn h ILE 131 CO 0.02 0.40 0.15 0.00 0.00 0.00 0.00 178.15 178.72 2jyn h ALA 132 N 1.08 0.31 -0.81 1.87 0.00 -1.30 -0.38 119.26 120.02 2jyn h ALA 132 Ca 0.18 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2jyn h ALA 132 Cb 0.49 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2jyn h ALA 132 CO 0.02 -0.24 0.50 0.00 0.00 0.00 0.00 179.25 179.54 2jyn h ARG 133 N 0.31 1.09 -0.64 0.00 3.08 -0.97 -1.54 114.38 115.71 2jyn h ARG 133 Ca 0.10 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 2jyn h ARG 133 Cb -0.01 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.78 2jyn h ARG 133 CO -0.04 0.76 0.20 -0.97 -1.07 0.00 0.00 179.97 178.85 2jyn h ASN 134 N 1.11 0.91 1.16 7.04 -1.24 -0.31 0.33 115.58 124.57 2jyn h ASN 134 Ca 0.29 -0.16 0.00 0.00 0.71 0.00 0.00 56.30 57.15 2jyn h ASN 134 Cb -0.06 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 38.75 2jyn h ASN 134 CO -0.06 0.85 -0.27 0.29 -1.29 0.00 0.00 177.43 176.95 2jyn n LYS 135 N -4.27 0.25 -0.11 6.67 5.02 -0.20 -3.20 118.16 122.31 2jyn n LYS 135 Ca 0.05 0.14 0.09 0.00 -2.02 0.00 0.00 58.31 56.57 2jyn n LYS 135 Cb 0.21 -1.73 0.14 0.00 -0.02 0.00 0.00 35.03 33.64 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 -2.12 0.30 -2.44 2.13 8.25 -0.59 -5.00 115.22 115.74 2jyn n HIS 136 Ca 0.05 -0.20 -0.16 0.00 -0.26 0.00 0.00 57.72 57.15 2jyn n HIS 136 Cb 0.42 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.53 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 1.05 -0.26 0.63 -1.41 0.00 0.94 -4.91 105.19 101.23 2jyn n GLY 137 Ca 0.14 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.47 2.07 -0.35 0.99 4.77 0.04 -3.52 117.00 118.53 2jyn n LEU 138 Ca -0.16 -0.69 0.04 0.00 -0.03 0.00 0.00 56.01 55.17 2jyn n LEU 138 Cb 0.63 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.77 2jyn n LEU 138 CO 0.25 0.35 0.47 -0.46 -1.33 0.00 0.00 177.39 176.68 2jyn n ASN 139 N 0.48 2.09 0.16 -1.43 6.94 -1.25 -4.58 115.26 117.67 2jyn n ASN 139 Ca 0.15 -1.64 0.01 0.00 -0.02 0.00 0.00 54.58 53.08 2jyn n ASN 139 Cb 0.46 -0.07 0.33 0.00 -2.36 0.00 0.00 39.78 38.13 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 1.37 0.05 0.12 0.53 3.58 -1.89 -2.51 116.42 117.68 2jyn h ASP 140 Ca 0.00 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 2jyn h ASP 140 Cb 0.47 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.51 2jyn h ASP 140 CO 0.00 0.43 -0.07 4.11 -2.88 0.00 0.00 179.24 180.83 2jyn h TRP 141 N 0.05 0.00 -0.10 0.28 5.08 -1.84 -2.57 115.95 116.85 2jyn h TRP 141 Ca 0.00 0.00 -0.21 0.00 1.08 0.00 0.00 58.89 59.77 2jyn h TRP 141 Cb 0.69 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.85 2jyn h TRP 141 CO 0.00 0.07 -0.78 0.82 -1.28 0.00 0.00 178.44 177.27 2jyn h ILE 142 N 0.00 1.34 0.00 0.12 2.04 -1.81 -2.91 117.51 116.29 2jyn h ILE 142 Ca -0.00 -2.11 0.00 0.00 1.00 0.00 0.00 64.86 63.75 2jyn h ILE 142 Cb 0.15 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2jyn h ILE 142 CO 0.01 0.65 0.00 1.33 0.00 0.00 0.00 178.15 180.14 2jyn n VAL 143 N -3.86 0.52 -2.83 1.67 0.24 -0.98 -3.27 118.33 109.82 2jyn n VAL 143 Ca -0.06 0.13 -0.16 0.00 -2.04 0.00 0.00 64.34 62.21 2jyn n VAL 143 Cb 0.74 -0.78 -0.00 0.00 -1.47 0.00 0.00 33.84 32.33 2jyn n VAL 143 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jyn n GLY 144 N 0.57 3.28 1.06 7.63 0.00 -1.13 -4.75 105.19 111.86 2jyn n GLY 144 Ca 0.07 -1.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 2jyn n GLY 144 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jyn n GLN 145 N -0.04 -1.26 0.00 1.61 1.13 -1.11 -4.92 117.38 112.79 2jyn n GLN 145 Ca 0.21 -0.54 0.00 0.00 -1.94 0.00 0.00 57.00 54.73 2jyn n GLN 145 Cb 0.70 -0.46 0.00 0.00 0.11 0.00 0.00 30.24 30.59 2jyn n GLN 145 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25