#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jb9 s ARG 4 N 0.00 3.69 -0.25 5.56 3.52 -1.26 -0.20 118.95 130.01 2jb9 s ARG 4 Ca 0.00 0.32 -0.05 0.00 -0.13 0.00 0.00 55.73 55.86 2jb9 s ARG 4 Cb 0.00 -3.85 -0.00 0.00 -1.56 0.00 0.00 34.95 29.53 2jb9 s ARG 4 CO 0.00 -1.02 0.02 0.42 -0.81 0.00 0.00 175.30 173.91 2jb9 s ILE 5 N 3.43 3.72 -0.39 4.11 -1.09 -0.89 -0.07 121.20 130.02 2jb9 s ILE 5 Ca 0.35 -0.54 -0.22 0.00 -2.23 0.00 0.00 60.65 58.00 2jb9 s ILE 5 Cb -0.12 -2.80 0.01 0.00 -1.58 0.00 0.00 42.46 37.98 2jb9 s ILE 5 CO 0.21 0.27 0.75 -0.22 -1.23 0.00 0.00 174.94 174.71 2jb9 s LEU 6 N 1.50 4.20 -0.45 2.97 2.96 -0.15 -0.76 118.68 128.95 2jb9 s LEU 6 Ca 0.04 0.16 -0.17 0.00 -0.22 0.00 0.00 54.13 53.94 2jb9 s LEU 6 Cb -0.16 -2.95 0.04 0.00 0.50 0.00 0.00 46.19 43.62 2jb9 s LEU 6 CO -0.00 -0.76 0.48 -0.69 -1.32 0.00 0.00 176.35 174.06 2jb9 s VAL 7 N 3.06 5.06 -0.38 1.68 1.01 0.62 -0.53 120.40 130.92 2jb9 s VAL 7 Ca 0.29 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 2jb9 s VAL 7 Cb -0.13 -4.12 0.07 0.00 0.00 0.00 0.00 36.38 32.20 2jb9 s VAL 7 CO 0.18 -0.54 0.17 -0.69 0.00 0.00 0.00 175.10 174.22 2jb9 s VAL 8 N 2.19 3.81 -0.28 2.92 1.01 0.35 -1.17 120.40 129.22 2jb9 s VAL 8 Ca 0.12 -1.41 -0.21 0.00 0.00 0.00 0.00 61.98 60.48 2jb9 s VAL 8 Cb -0.19 -3.30 0.11 0.00 0.00 0.00 0.00 36.38 33.01 2jb9 s VAL 8 CO 0.12 -0.38 0.91 -0.70 0.00 0.00 0.00 175.10 175.05 2jb9 s GLU 9 N 1.36 0.55 0.21 2.72 2.56 -0.74 -0.71 118.70 124.66 2jb9 s GLU 9 Ca 0.01 0.78 -0.04 0.00 0.00 0.00 0.00 54.97 55.73 2jb9 s GLU 9 Cb -0.21 0.21 0.19 0.00 2.00 0.00 0.00 34.13 36.31 2jb9 s GLU 9 CO 0.01 -0.09 1.61 0.00 -0.56 0.00 0.00 175.26 176.23 2jb9 h ALA 10 N 5.28 0.85 -2.18 6.30 0.00 -1.83 -3.40 119.26 124.28 2jb9 h ALA 10 Ca -0.29 -0.40 -0.61 0.00 0.00 0.00 0.00 54.91 53.62 2jb9 h ALA 10 Cb 1.19 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.74 2jb9 h ALA 10 CO 0.13 0.63 0.41 -1.21 0.00 0.00 0.00 179.25 179.22 2jb9 s GLU 11 N -4.46 3.84 0.18 0.00 0.41 -1.26 -4.96 118.70 112.45 2jb9 s GLU 11 Ca -0.09 0.45 -0.19 0.00 -0.41 0.00 0.00 54.97 54.72 2jb9 s GLU 11 Cb 0.13 -3.78 0.13 0.00 -1.78 0.00 0.00 34.13 28.82 2jb9 s GLU 11 CO 0.83 -0.80 1.61 0.00 -0.49 0.00 0.00 175.26 176.41 2jb9 h ALA 12 N 8.35 0.05 -0.17 5.21 0.00 -2.00 -0.57 119.26 130.14 2jb9 h ALA 12 Ca -0.24 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2jb9 h ALA 12 Cb 1.09 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 2jb9 h ALA 12 CO 0.91 -0.61 -0.00 -1.00 0.00 0.00 0.00 179.25 178.54 2jb9 h PRO 13 N -0.15 0.24 0.04 0.00 0.13 -1.99 0.63 132.00 130.90 2jb9 h PRO 13 Ca 0.22 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2jb9 h PRO 13 Cb 0.51 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.60 2jb9 h PRO 13 CO -0.60 0.26 -0.02 0.82 -0.23 0.00 0.00 178.00 178.24 2jb9 h ILE 14 N 0.24 1.22 -0.90 -3.56 2.04 -1.77 -1.70 117.51 113.07 2jb9 h ILE 14 Ca 0.06 -0.87 0.16 0.00 1.00 0.00 0.00 64.86 65.21 2jb9 h ILE 14 Cb 0.17 1.79 -0.10 0.00 -0.74 0.00 0.00 36.82 37.94 2jb9 h ILE 14 CO 0.00 0.22 0.49 0.03 0.00 0.00 0.00 178.15 178.89 2jb9 h ARG 15 N -0.44 0.64 -0.22 2.37 3.08 -0.73 -0.37 114.38 118.71 2jb9 h ARG 15 Ca -0.01 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 2jb9 h ARG 15 Cb 0.40 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2jb9 h ARG 15 CO 0.01 0.42 -0.48 0.93 -1.07 0.00 0.00 179.97 179.78 2jb9 h GLU 16 N 0.65 0.58 -0.51 0.04 5.08 -0.79 0.23 114.58 119.85 2jb9 h GLU 16 Ca 0.50 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.47 2jb9 h GLU 16 Cb 0.75 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 2jb9 h GLU 16 CO -0.38 0.93 0.06 1.98 -1.00 0.00 0.00 179.01 180.60 2jb9 h MET 17 N 0.46 0.86 -0.16 2.33 4.05 -0.83 -0.05 114.93 121.58 2jb9 h MET 17 Ca 0.02 -0.24 -0.00 0.00 -0.28 0.00 0.00 59.70 59.19 2jb9 h MET 17 Cb 1.01 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.71 2jb9 h MET 17 CO 0.09 0.86 0.08 0.28 0.23 0.00 0.00 176.91 178.46 2jb9 h VAL 18 N 0.73 1.11 -0.71 -5.77 2.07 -0.68 -2.14 116.25 110.87 2jb9 h VAL 18 Ca 0.15 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 2jb9 h VAL 18 Cb 0.44 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2jb9 h VAL 18 CO 0.02 0.10 0.33 0.00 0.02 0.00 0.00 177.57 178.04 2jb9 h PHE 20 N 0.99 -0.36 -0.66 0.00 3.57 -0.91 0.24 116.94 119.80 2jb9 h PHE 20 Ca 0.24 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.79 2jb9 h PHE 20 Cb 0.13 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 2jb9 h PHE 20 CO 0.01 -0.21 0.39 0.28 -2.23 0.00 0.00 178.31 176.55 2jb9 h VAL 21 N -0.27 1.03 -0.30 1.41 2.07 -1.04 -0.94 116.25 118.21 2jb9 h VAL 21 Ca 0.03 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 2jb9 h VAL 21 Cb 0.29 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2jb9 h VAL 21 CO -0.09 0.14 0.01 -0.07 0.02 0.00 0.00 177.57 177.57 2jb9 h LEU 22 N 0.74 0.52 -0.80 2.57 3.38 -0.80 -2.53 115.31 118.39 2jb9 h LEU 22 Ca 0.28 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2jb9 h LEU 22 Cb 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2jb9 h LEU 22 CO -0.14 0.69 -0.21 1.05 0.09 0.00 0.00 178.44 179.91 2jb9 h GLU 23 N 0.33 0.68 0.00 1.13 4.11 -0.31 -0.95 114.58 119.57 2jb9 h GLU 23 Ca 0.09 -0.26 -0.01 0.00 0.07 0.00 0.00 59.36 59.25 2jb9 h GLU 23 Cb 0.41 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2jb9 h GLU 23 CO 0.01 0.84 -0.03 1.96 0.07 0.00 0.00 179.01 181.86 2jb9 h GLN 24 N 0.60 0.00 -0.66 1.06 1.08 -1.08 -2.01 115.11 114.09 2jb9 h GLN 24 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2jb9 h GLN 24 Cb 0.68 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 2jb9 h GLN 24 CO 0.05 0.03 0.00 0.09 -0.95 0.00 0.00 178.83 178.05 2jb9 n ASN 25 N -4.29 3.77 0.00 1.46 4.13 -0.82 -4.95 115.26 114.55 2jb9 n ASN 25 Ca -0.03 -2.10 0.00 0.00 1.68 0.00 0.00 54.58 54.13 2jb9 n ASN 25 Cb 0.12 -0.47 0.00 0.00 -1.54 0.00 0.00 39.78 37.89 2jb9 n ASN 25 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jb9 n GLY 26 N 1.44 0.75 3.93 7.41 0.00 -0.76 -5.05 105.19 112.92 2jb9 n GLY 26 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 2jb9 n GLY 26 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jb9 s PHE 27 N -2.63 3.07 -0.75 1.61 0.08 -0.42 -4.20 117.98 114.74 2jb9 s PHE 27 Ca 0.00 0.44 0.02 0.00 0.12 0.00 0.00 56.93 57.51 2jb9 s PHE 27 Cb 0.00 -2.88 0.18 0.00 -0.57 0.00 0.00 43.02 39.75 2jb9 s PHE 27 CO 0.00 -1.02 0.56 -0.65 -0.10 0.00 0.00 175.22 174.02 2jb9 s GLN 28 N -5.02 2.69 0.40 0.44 -0.21 0.72 -4.07 119.66 114.62 2jb9 s GLN 28 Ca 0.56 -3.22 -0.24 0.00 0.02 0.00 0.00 55.36 52.49 2jb9 s GLN 28 Cb -0.11 -3.61 -0.09 0.00 1.00 0.00 0.00 33.01 30.20 2jb9 s GLN 28 CO 0.43 -1.26 1.02 -1.25 -2.12 0.00 0.00 175.29 172.12 2jb9 s PRO 29 N -1.24 4.20 0.11 2.91 0.04 -1.26 -2.10 135.00 137.66 2jb9 s PRO 29 Ca 0.24 1.43 0.02 0.00 0.04 0.00 0.00 61.00 62.74 2jb9 s PRO 29 Cb -0.08 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 2jb9 s PRO 29 CO -0.13 -0.09 -0.07 0.14 0.04 0.00 0.00 177.00 176.88 2jb9 s VAL 30 N -1.73 0.79 0.05 -0.36 -7.23 0.06 -4.89 120.40 107.09 2jb9 s VAL 30 Ca 0.58 -1.96 0.06 0.00 -1.81 0.00 0.00 61.98 58.85 2jb9 s VAL 30 Cb -0.20 -1.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.97 2jb9 s VAL 30 CO 0.25 -0.83 -0.15 -1.61 -0.31 0.00 0.00 175.10 172.45 2jb9 s GLU 31 N -3.82 2.15 -0.04 4.82 2.02 -1.26 -0.28 118.70 122.30 2jb9 s GLU 31 Ca 0.13 -0.95 0.01 0.00 0.02 0.00 0.00 54.97 54.18 2jb9 s GLU 31 Cb 0.05 -2.26 0.02 0.00 0.10 0.00 0.00 34.13 32.04 2jb9 s GLU 31 CO -0.03 0.54 -0.03 0.00 0.02 0.00 0.00 175.26 175.76 2jb9 s ALA 32 N -1.00 0.55 -1.21 5.21 0.00 -0.32 -4.91 121.76 120.08 2jb9 s ALA 32 Ca 0.16 0.01 0.25 0.00 0.00 0.00 0.00 51.96 52.38 2jb9 s ALA 32 Cb -0.11 -0.36 0.53 0.00 0.00 0.00 0.00 23.12 23.18 2jb9 s ALA 32 CO 0.07 -0.01 1.43 -0.85 0.00 0.00 0.00 175.76 176.40 2jb9 n GLU 33 N 3.98 0.24 -3.83 0.00 0.28 -1.26 -1.78 120.64 118.27 2jb9 n GLU 33 Ca -0.25 -0.14 -0.07 0.00 -0.16 0.00 0.00 57.16 56.53 2jb9 n GLU 33 Cb 0.51 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.90 2jb9 n GLU 33 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 2jb9 s ASP 34 N -2.86 -0.04 0.10 -1.84 1.47 -1.26 -4.03 116.67 108.21 2jb9 s ASP 34 Ca 0.15 -0.93 -0.23 0.00 1.18 0.00 0.00 52.55 52.72 2jb9 s ASP 34 Cb 0.18 0.74 -0.11 0.00 -0.34 0.00 0.00 42.92 43.39 2jb9 s ASP 34 CO 0.66 -1.44 1.72 0.22 0.68 0.00 0.00 175.17 177.00 2jb9 h TYR 35 N 2.00 -0.10 -0.44 2.11 3.20 -1.41 -2.16 116.97 120.16 2jb9 h TYR 35 Ca -0.29 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.50 2jb9 h TYR 35 Cb 1.24 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.54 2jb9 h TYR 35 CO 1.20 -0.07 -0.06 -0.44 -1.64 0.00 0.00 178.16 177.15 2jb9 h ASP 36 N -0.06 0.74 -0.79 -2.11 3.32 -1.86 -0.43 116.42 115.23 2jb9 h ASP 36 Ca 0.03 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.85 2jb9 h ASP 36 Cb 0.10 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 2jb9 h ASP 36 CO -0.06 0.84 0.37 -1.28 -1.72 0.00 0.00 179.24 177.39 2jb9 h SER 37 N 0.70 1.05 -0.21 6.45 0.87 -1.91 0.12 113.55 120.62 2jb9 h SER 37 Ca 0.13 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2jb9 h SER 37 Cb 0.51 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2jb9 h SER 37 CO 0.03 0.90 0.01 0.00 -0.53 0.00 0.00 176.83 177.23 2jb9 h ALA 38 N 1.26 0.28 -0.80 6.23 0.00 -0.87 -2.86 119.26 122.50 2jb9 h ALA 38 Ca 0.27 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2jb9 h ALA 38 Cb 0.13 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2jb9 h ALA 38 CO -0.03 -0.01 0.53 0.28 0.00 0.00 0.00 179.25 180.02 2jb9 h VAL 39 N 0.14 1.19 0.00 0.00 2.07 -0.74 -1.26 116.25 117.65 2jb9 h VAL 39 Ca 0.06 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2jb9 h VAL 39 Cb 0.38 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2jb9 h VAL 39 CO 0.01 0.20 0.00 0.59 0.02 0.00 0.00 177.57 178.38 2jb9 n ASN 40 N -4.54 0.32 -0.86 0.57 3.02 0.38 -1.68 115.26 112.48 2jb9 n ASN 40 Ca 0.08 0.63 0.08 0.00 -0.03 0.00 0.00 54.58 55.34 2jb9 n ASN 40 Cb 0.03 -0.68 0.18 0.00 -0.61 0.00 0.00 39.78 38.71 2jb9 n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jb9 n GLN 41 N -1.91 2.45 -1.86 3.52 6.02 -0.48 -4.66 117.38 120.46 2jb9 n GLN 41 Ca 0.00 -2.10 -0.41 0.00 -0.01 0.00 0.00 57.00 54.48 2jb9 n GLN 41 Cb 0.07 -1.37 -0.00 0.00 1.02 0.00 0.00 30.24 29.96 2jb9 n GLN 41 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2jb9 n LEU 42 N 0.95 7.26 -3.82 1.08 4.77 -0.67 -4.51 117.00 122.04 2jb9 n LEU 42 Ca 0.15 -4.40 -0.03 0.00 -0.03 0.00 0.00 56.01 51.70 2jb9 n LEU 42 Cb 0.48 -1.56 0.01 0.00 -2.33 0.00 0.00 43.42 40.02 2jb9 n LEU 42 CO 0.11 1.45 0.81 0.54 -1.33 0.00 0.00 177.39 178.97 2jb9 s ASN 43 N 2.06 -0.06 0.18 -1.43 2.20 -1.26 -5.07 114.94 111.56 2jb9 s ASN 43 Ca 0.49 -0.53 -0.32 0.00 -0.94 0.00 0.00 52.86 51.56 2jb9 s ASN 43 Cb 0.14 0.46 -0.12 0.00 -2.00 0.00 0.00 41.25 39.73 2jb9 s ASN 43 CO -0.06 -0.89 1.75 1.21 -2.94 0.00 0.00 177.10 176.17 2jb9 n GLU 44 N -0.62 2.72 -2.83 3.55 4.07 -1.26 -2.23 120.64 124.03 2jb9 n GLU 44 Ca -0.04 0.98 -0.42 0.00 -0.06 0.00 0.00 57.16 57.62 2jb9 n GLU 44 Cb 0.60 -2.84 -0.04 0.00 -0.06 0.00 0.00 31.44 29.11 2jb9 n GLU 44 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2jb9 s PRO 45 N 1.63 4.29 0.36 5.31 0.04 -1.26 -5.13 135.00 140.25 2jb9 s PRO 45 Ca 0.78 1.10 -0.28 0.00 0.04 0.00 0.00 61.00 62.63 2jb9 s PRO 45 Cb -0.52 -3.59 -0.11 0.00 0.04 0.00 0.00 34.50 30.33 2jb9 s PRO 45 CO 0.34 -0.39 1.42 -1.58 0.04 0.00 0.00 177.00 176.83 2jb9 s TRP 46 N 2.35 2.76 0.56 0.56 0.52 -0.95 -4.98 118.94 119.76 2jb9 s TRP 46 Ca 0.40 1.26 -0.20 0.00 0.02 0.00 0.00 56.10 57.58 2jb9 s TRP 46 Cb -0.16 -3.89 -0.05 0.00 -1.15 0.00 0.00 33.47 28.22 2jb9 s TRP 46 CO 0.12 -2.56 1.23 -2.14 0.02 0.00 0.00 176.95 173.61 2jb9 s PRO 47 N -1.98 3.16 0.08 4.98 0.02 -1.26 -4.87 135.00 135.12 2jb9 s PRO 47 Ca 0.51 1.90 0.21 0.00 0.02 0.00 0.00 61.00 63.64 2jb9 s PRO 47 Cb -0.44 -2.09 -0.16 0.00 0.02 0.00 0.00 34.50 31.84 2jb9 s PRO 47 CO 0.59 -1.07 0.76 -0.25 -0.33 0.00 0.00 177.00 176.70 2jb9 n ASP 48 N -1.26 0.49 -3.60 2.53 9.92 0.89 -4.96 116.55 120.56 2jb9 n ASP 48 Ca 0.12 0.19 -0.16 0.00 -0.53 0.00 0.00 54.79 54.41 2jb9 n ASP 48 Cb 0.48 1.03 -0.07 0.00 -0.64 0.00 0.00 41.12 41.93 2jb9 n ASP 48 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2jb9 s LEU 49 N -5.10 -0.28 -0.11 0.64 0.20 -1.11 -4.20 118.68 108.73 2jb9 s LEU 49 Ca -0.04 0.68 0.03 0.00 0.69 0.00 0.00 54.13 55.49 2jb9 s LEU 49 Cb 0.11 2.19 0.01 0.00 -0.43 0.00 0.00 46.19 48.06 2jb9 s LEU 49 CO 0.84 -0.50 -0.21 -0.63 -0.29 0.00 0.00 176.35 175.56 2jb9 s ILE 50 N -0.94 1.88 -0.32 6.68 1.01 -0.46 -0.98 121.20 128.07 2jb9 s ILE 50 Ca -0.10 -0.90 -0.11 0.00 0.00 0.00 0.00 60.65 59.54 2jb9 s ILE 50 Cb -0.02 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 2jb9 s ILE 50 CO 0.07 0.52 0.20 -0.22 0.00 0.00 0.00 174.94 175.51 2jb9 s LEU 51 N 0.61 4.27 -0.24 2.97 1.98 0.31 -0.82 118.68 127.76 2jb9 s LEU 51 Ca -0.13 -0.37 0.01 0.00 -2.89 0.00 0.00 54.13 50.74 2jb9 s LEU 51 Cb -0.17 -2.08 0.04 0.00 0.66 0.00 0.00 46.19 44.64 2jb9 s LEU 51 CO 0.04 -0.18 -0.11 -0.22 -1.89 0.00 0.00 176.35 173.99 2jb9 s LEU 52 N 1.69 3.10 0.11 -0.68 2.96 -0.11 -0.50 118.68 125.26 2jb9 s LEU 52 Ca 0.06 -1.05 -0.31 0.00 -0.22 0.00 0.00 54.13 52.61 2jb9 s LEU 52 Cb -0.17 -1.58 -0.09 0.00 0.50 0.00 0.00 46.19 44.85 2jb9 s LEU 52 CO 0.09 -0.13 1.62 -0.70 -1.32 0.00 0.00 176.35 175.91 2jb9 s GLU 53 N 1.23 4.21 0.15 1.98 2.12 0.11 -0.47 118.70 128.02 2jb9 s GLU 53 Ca -0.03 2.35 -0.16 0.00 0.36 0.00 0.00 54.97 57.49 2jb9 s GLU 53 Cb -0.17 -3.41 0.02 0.00 0.26 0.00 0.00 34.13 30.83 2jb9 s GLU 53 CO -0.06 -0.68 1.79 2.35 -0.54 0.00 0.00 175.26 178.12 2jb9 h TRP 54 N 7.68 0.40 -0.10 5.30 2.91 -1.25 -1.68 115.95 129.22 2jb9 h TRP 54 Ca -0.43 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 59.59 2jb9 h TRP 54 Cb 1.20 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 29.72 2jb9 h TRP 54 CO 0.72 0.23 0.02 -1.33 -1.03 0.00 0.00 178.44 177.06 2jb9 n MET 55 N -4.88 1.48 -1.62 2.65 2.81 -1.26 -4.44 117.12 111.86 2jb9 n MET 55 Ca 0.00 -0.45 -0.47 0.00 -1.81 0.00 0.00 57.70 54.98 2jb9 n MET 55 Cb 0.06 -1.52 -0.03 0.00 -0.71 0.00 0.00 33.22 31.01 2jb9 n MET 55 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2jb9 n LEU 56 N 0.13 2.25 -4.74 4.03 7.94 -0.63 -4.90 117.00 121.07 2jb9 n LEU 56 Ca 0.05 1.14 -0.37 0.00 -1.11 0.00 0.00 56.01 55.72 2jb9 n LEU 56 Cb 0.44 -1.31 0.06 0.00 0.53 0.00 0.00 43.42 43.14 2jb9 n LEU 56 CO 0.06 -0.94 0.94 -2.84 -1.11 0.00 0.00 177.39 173.49 2jb9 s PRO 57 N -0.43 2.76 0.00 1.96 0.02 -1.26 -4.18 135.00 133.87 2jb9 s PRO 57 Ca 0.70 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.85 2jb9 s PRO 57 Cb -0.76 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 31.77 2jb9 s PRO 57 CO 0.51 -1.45 0.00 0.41 -0.33 0.00 0.00 177.00 176.14 2jb9 n GLY 58 N 0.83 0.47 0.00 0.52 0.00 -1.26 -1.09 105.19 104.66 2jb9 n GLY 58 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2jb9 n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jb9 n GLY 59 N -1.51 -0.72 3.67 -0.02 0.00 -1.26 -4.78 105.19 100.58 2jb9 n GLY 59 Ca 0.00 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 2jb9 n GLY 59 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jb9 s SER 60 N -4.00 5.68 0.52 1.61 0.15 -1.26 -4.84 113.70 111.57 2jb9 s SER 60 Ca 0.00 0.14 0.24 0.00 0.70 0.00 0.00 55.95 57.03 2jb9 s SER 60 Cb 0.00 -1.92 1.42 0.00 -1.71 0.00 0.00 66.02 63.82 2jb9 s SER 60 CO 0.00 0.23 2.10 1.23 1.20 0.00 0.00 173.24 178.00 2jb9 h GLY 61 N 6.27 0.00 0.65 9.45 0.00 -1.91 0.11 103.07 117.65 2jb9 h GLY 61 Ca -0.41 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 2jb9 h GLY 61 CO 0.67 0.00 -0.03 -2.22 0.00 0.00 0.00 176.54 174.96 2jb9 h ILE 62 N 0.00 1.33 -0.20 2.60 2.04 -1.94 -2.31 117.51 119.02 2jb9 h ILE 62 Ca -0.00 -1.05 -0.08 0.00 1.00 0.00 0.00 64.86 64.73 2jb9 h ILE 62 Cb 0.24 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 2jb9 h ILE 62 CO 0.01 0.29 -0.21 1.56 0.00 0.00 0.00 178.15 179.80 2jb9 h GLN 63 N -0.25 0.36 -0.13 2.37 4.20 -1.83 -1.74 115.11 118.10 2jb9 h GLN 63 Ca 0.01 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2jb9 h GLN 63 Cb 0.48 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2jb9 h GLN 63 CO 0.01 0.56 0.08 0.35 -0.67 0.00 0.00 178.83 179.17 2jb9 h PHE 64 N 0.33 0.17 -0.28 2.96 3.04 -0.91 -0.81 116.94 121.44 2jb9 h PHE 64 Ca 0.05 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.98 2jb9 h PHE 64 Cb 0.56 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.01 2jb9 h PHE 64 CO 0.01 0.13 0.08 0.82 -2.02 0.00 0.00 178.31 177.33 2jb9 h ILE 65 N 0.16 1.20 -0.84 1.41 2.04 -1.19 -2.70 117.51 117.60 2jb9 h ILE 65 Ca 0.05 -0.66 0.08 0.00 1.00 0.00 0.00 64.86 65.33 2jb9 h ILE 65 Cb 0.00 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.14 2jb9 h ILE 65 CO -0.01 0.22 0.55 0.11 0.00 0.00 0.00 178.15 179.02 2jb9 h LYS 66 N 0.28 0.85 -0.77 2.37 1.79 -1.26 -2.44 116.57 117.40 2jb9 h LYS 66 Ca 0.09 -0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.53 2jb9 h LYS 66 Cb 0.26 -0.19 -0.05 0.00 -1.58 0.00 0.00 32.23 30.67 2jb9 h LYS 66 CO -0.00 0.56 0.49 1.25 -1.08 0.00 0.00 179.45 180.68 2jb9 h HIS 67 N 0.88 0.93 -0.27 -1.35 2.76 -0.83 -2.20 115.15 115.06 2jb9 h HIS 67 Ca 0.38 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.57 2jb9 h HIS 67 Cb 0.31 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 2jb9 h HIS 67 CO -0.00 0.54 0.18 -0.07 -1.30 0.00 0.00 177.93 177.28 2jb9 h LEU 68 N 0.97 0.31 0.00 0.26 3.38 -1.16 -2.13 115.31 116.94 2jb9 h LEU 68 Ca 0.30 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2jb9 h LEU 68 Cb -0.01 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2jb9 h LEU 68 CO -0.10 0.22 0.00 0.29 0.09 0.00 0.00 178.44 178.94 2jb9 n LYS 69 N -4.50 0.13 0.22 1.13 4.76 -0.83 -1.94 118.16 117.12 2jb9 n LYS 69 Ca 0.01 0.05 0.10 0.00 -2.87 0.00 0.00 58.31 55.60 2jb9 n LYS 69 Cb 0.07 -1.50 0.44 0.00 -1.84 0.00 0.00 35.03 32.21 2jb9 n LYS 69 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jb9 h ARG 70 N 0.00 0.00 -4.54 1.97 3.08 -1.35 -3.43 114.38 110.10 2jb9 h ARG 70 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 2jb9 h ARG 70 Cb 0.37 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 30.09 2jb9 h ARG 70 CO 0.00 0.22 -0.82 -1.21 -1.07 0.00 0.00 179.97 177.10 2jb9 s GLU 71 N -3.62 1.73 0.35 0.04 2.02 -1.23 -5.03 118.70 112.96 2jb9 s GLU 71 Ca 0.01 -0.41 0.15 0.00 0.02 0.00 0.00 54.97 54.73 2jb9 s GLU 71 Cb 0.10 -1.45 1.07 0.00 0.10 0.00 0.00 34.13 33.95 2jb9 s GLU 71 CO 0.64 0.00 1.69 0.77 0.02 0.00 0.00 175.26 178.38 2jb9 h SER 72 N 7.07 0.53 -0.36 -0.19 0.02 -1.87 0.10 113.55 118.85 2jb9 h SER 72 Ca -0.31 0.16 0.07 0.00 -0.84 0.00 0.00 61.79 60.88 2jb9 h SER 72 Cb 1.18 0.10 -0.07 0.00 0.14 0.00 0.00 62.40 63.75 2jb9 h SER 72 CO 0.47 -0.06 -0.13 -0.03 -1.14 0.00 0.00 176.83 175.94 2jb9 h MET 73 N 0.38 -0.06 0.00 3.45 -1.53 -1.96 -3.01 114.93 112.20 2jb9 h MET 73 Ca 0.71 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.97 2jb9 h MET 73 Cb 1.62 0.01 0.00 0.00 -0.55 0.00 0.00 31.60 32.68 2jb9 h MET 73 CO -0.53 -0.04 -0.86 0.25 0.14 0.00 0.00 176.91 175.88 2jb9 n THR 74 N -5.32 0.01 -0.16 -0.77 -2.24 -0.29 -4.43 114.28 101.08 2jb9 n THR 74 Ca 0.01 -0.03 0.20 0.00 -2.27 0.00 0.00 64.05 61.96 2jb9 n THR 74 Cb 0.23 0.66 0.58 0.00 -2.10 0.00 0.00 70.33 69.70 2jb9 n THR 74 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2jb9 h ARG 75 N 0.00 0.26 -0.22 -0.78 2.43 -0.37 -2.52 114.38 113.18 2jb9 h ARG 75 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2jb9 h ARG 75 Cb 0.53 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2jb9 h ARG 75 CO 0.00 0.17 0.00 -0.25 -1.51 0.00 0.00 179.97 178.38 2jb9 n ASP 76 N -4.44 2.54 -4.67 -3.80 8.00 -1.26 -4.76 116.55 108.15 2jb9 n ASP 76 Ca 0.16 -1.83 -0.42 0.00 0.71 0.00 0.00 54.79 53.41 2jb9 n ASP 76 Cb 0.66 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.59 2jb9 n ASP 76 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jb9 s ILE 77 N -0.95 3.96 0.50 0.53 1.01 -0.95 -4.99 121.20 120.30 2jb9 s ILE 77 Ca 0.18 1.24 -0.22 0.00 0.00 0.00 0.00 60.65 61.85 2jb9 s ILE 77 Cb 0.10 -3.80 -0.06 0.00 0.01 0.00 0.00 42.46 38.71 2jb9 s ILE 77 CO 0.14 -0.06 1.23 -2.16 0.00 0.00 0.00 174.94 174.08 2jb9 s PRO 78 N 3.06 3.50 -0.12 2.79 0.04 -1.26 -4.88 135.00 138.13 2jb9 s PRO 78 Ca 0.61 1.91 0.02 0.00 0.04 0.00 0.00 61.00 63.58 2jb9 s PRO 78 Cb -0.27 -2.31 0.01 0.00 0.04 0.00 0.00 34.50 31.97 2jb9 s PRO 78 CO 0.22 -0.80 -0.17 0.08 0.04 0.00 0.00 177.00 176.37 2jb9 s VAL 79 N -1.48 1.64 -0.23 -0.36 1.01 -1.26 -1.35 120.40 118.36 2jb9 s VAL 79 Ca 0.67 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 2jb9 s VAL 79 Cb -0.32 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 2jb9 s VAL 79 CO 0.38 0.47 0.08 -0.69 0.00 0.00 0.00 175.10 175.34 2jb9 s VAL 80 N 1.02 4.50 -0.03 2.92 1.01 -0.00 -0.38 120.40 129.45 2jb9 s VAL 80 Ca -0.05 -0.12 -0.27 0.00 0.00 0.00 0.00 61.98 61.55 2jb9 s VAL 80 Cb -0.15 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 2jb9 s VAL 80 CO -0.03 0.36 0.85 -0.32 0.00 0.00 0.00 175.10 175.96 2jb9 s MET 81 N 1.29 4.51 -0.26 2.72 1.75 -0.23 -0.94 119.30 128.14 2jb9 s MET 81 Ca 0.05 1.17 -0.11 0.00 -1.25 0.00 0.00 55.69 55.56 2jb9 s MET 81 Cb -0.15 -3.45 -0.05 0.00 2.84 0.00 0.00 34.83 34.02 2jb9 s MET 81 CO 0.04 0.01 0.18 -1.17 -0.65 0.00 0.00 175.02 173.43 2jb9 s LEU 82 N 0.89 4.06 0.35 4.11 2.96 0.38 -1.10 118.68 130.33 2jb9 s LEU 82 Ca 0.45 0.05 0.09 0.00 -0.22 0.00 0.00 54.13 54.50 2jb9 s LEU 82 Cb -0.20 -2.12 -0.06 0.00 0.50 0.00 0.00 46.19 44.32 2jb9 s LEU 82 CO 0.24 -0.00 -0.02 0.42 -1.32 0.00 0.00 176.35 175.67 2jb9 s THR 83 N 1.46 2.46 -1.10 3.68 -4.23 -0.63 -0.68 115.64 116.59 2jb9 s THR 83 Ca 0.07 -2.04 -0.07 0.00 -1.18 0.00 0.00 61.69 58.47 2jb9 s THR 83 Cb -0.15 -2.76 0.28 0.00 1.34 0.00 0.00 72.50 71.21 2jb9 s THR 83 CO 0.08 -0.18 1.19 0.00 -0.54 0.00 0.00 174.62 175.17 2jb9 n ALA 84 N -0.91 4.45 0.00 3.99 0.00 -1.26 -0.34 120.51 126.44 2jb9 n ALA 84 Ca -0.04 -4.70 0.00 0.00 0.00 0.00 0.00 53.44 48.69 2jb9 n ALA 84 Cb 0.63 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.69 2jb9 n ALA 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jb9 n ARG 85 N 2.31 0.00 0.06 0.00 1.74 -0.95 -4.46 116.66 115.36 2jb9 n ARG 85 Ca 0.24 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.36 2jb9 n ARG 85 Cb 0.37 0.00 0.44 0.00 -1.02 0.00 0.00 32.46 32.26 2jb9 n ARG 85 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2jb9 h GLY 86 N 0.00 0.43 0.96 -0.13 0.00 -1.92 -1.60 103.07 100.82 2jb9 h GLY 86 Ca 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 2jb9 h GLY 86 CO 0.00 0.18 0.09 -2.09 0.00 0.00 0.00 176.54 174.72 2jb9 h GLU 87 N 0.41 0.21 -0.77 4.80 4.81 -2.00 0.14 114.58 122.18 2jb9 h GLU 87 Ca 0.10 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 2jb9 h GLU 87 Cb 0.05 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 2jb9 h GLU 87 CO -0.01 0.19 0.37 1.49 -0.73 0.00 0.00 179.01 180.32 2jb9 h GLU 88 N 0.17 1.10 -0.13 1.92 4.81 -1.67 -2.14 114.58 118.64 2jb9 h GLU 88 Ca 0.06 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2jb9 h GLU 88 Cb 0.04 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 2jb9 h GLU 88 CO -0.01 0.85 -0.02 1.49 -0.73 0.00 0.00 179.01 180.59 2jb9 h GLU 89 N 1.08 0.01 -0.53 1.92 4.81 -0.73 0.80 114.58 121.95 2jb9 h GLU 89 Ca 0.26 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.53 2jb9 h GLU 89 Cb 0.11 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 2jb9 h GLU 89 CO -0.03 0.01 0.28 -0.44 -0.73 0.00 0.00 179.01 178.10 2jb9 h ASP 90 N 0.01 0.42 -0.55 1.04 3.32 -0.57 0.16 116.42 120.26 2jb9 h ASP 90 Ca 0.06 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2jb9 h ASP 90 Cb 0.09 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 2jb9 h ASP 90 CO -0.12 0.29 0.34 0.03 -1.72 0.00 0.00 179.24 178.06 2jb9 h ARG 91 N 0.55 0.73 -0.18 3.56 3.08 -0.93 -1.52 114.38 119.67 2jb9 h ARG 91 Ca 0.23 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 60.07 2jb9 h ARG 91 Cb 0.11 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2jb9 h ARG 91 CO -0.14 0.52 -0.53 0.28 -1.07 0.00 0.00 179.97 179.02 2jb9 h VAL 92 N 0.74 1.32 -0.86 2.04 2.07 -0.33 -1.42 116.25 119.81 2jb9 h VAL 92 Ca 0.20 -1.78 0.11 0.00 0.82 0.00 0.00 66.70 66.05 2jb9 h VAL 92 Cb -0.04 1.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 2jb9 h VAL 92 CO -0.04 0.55 0.56 0.03 0.02 0.00 0.00 177.57 178.69 2jb9 h ARG 93 N 0.40 0.77 0.00 1.57 3.08 -0.34 -1.75 114.38 118.11 2jb9 h ARG 93 Ca 0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2jb9 h ARG 93 Cb 1.06 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 2jb9 h ARG 93 CO 0.10 0.51 -0.05 0.78 -1.07 0.00 0.00 179.97 180.24 2jb9 h GLY 94 N 0.79 0.00 0.95 0.04 0.00 -0.23 -3.10 103.07 101.52 2jb9 h GLY 94 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 2jb9 h GLY 94 CO -0.17 0.00 -0.27 1.04 0.00 0.00 0.00 176.54 177.14 2jb9 n LEU 95 N -3.19 0.54 -3.54 3.11 4.77 -0.66 -4.97 117.00 113.06 2jb9 n LEU 95 Ca -0.00 0.02 -0.23 0.00 -0.03 0.00 0.00 56.01 55.77 2jb9 n LEU 95 Cb 0.29 -0.24 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 2jb9 n LEU 95 CO 0.28 0.11 -0.01 -0.62 -1.33 0.00 0.00 177.39 175.82 2jb9 n GLU 96 N -1.16 -1.38 0.01 3.23 1.02 -1.17 -4.87 120.64 116.32 2jb9 n GLU 96 Ca 0.10 0.73 0.14 0.00 -0.02 0.00 0.00 57.16 58.11 2jb9 n GLU 96 Cb 0.32 -4.33 0.58 0.00 -0.02 0.00 0.00 31.44 27.99 2jb9 n GLU 96 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2jb9 n THR 97 N -3.41 0.08 -0.70 2.62 -2.24 -1.26 -4.92 114.28 104.44 2jb9 n THR 97 Ca -0.11 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2jb9 n THR 97 Cb 0.59 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 2jb9 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jb9 n GLY 98 N 1.47 0.74 3.76 3.38 0.00 -1.26 -4.82 105.19 108.46 2jb9 n GLY 98 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 2jb9 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jb9 s ALA 99 N -2.61 2.56 0.08 4.61 0.00 -1.26 -4.96 121.76 120.19 2jb9 s ALA 99 Ca 0.00 0.88 0.04 0.00 0.00 0.00 0.00 51.96 52.88 2jb9 s ALA 99 Cb 0.00 -3.41 -0.24 0.00 0.00 0.00 0.00 23.12 19.48 2jb9 s ALA 99 CO 0.00 -1.09 1.15 -0.44 0.00 0.00 0.00 175.76 175.39 2jb9 h ASP 100 N 0.82 0.15 -2.88 0.00 3.32 -1.11 -3.48 116.42 113.23 2jb9 h ASP 100 Ca -0.50 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 56.31 2jb9 h ASP 100 Cb 1.28 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 2jb9 h ASP 100 CO 0.55 1.14 0.14 -0.67 -1.72 0.00 0.00 179.24 178.68 2jb9 n ASP 101 N -3.38 -1.72 -3.85 6.45 -0.08 -1.18 -5.03 116.55 107.76 2jb9 n ASP 101 Ca -0.05 -2.39 -0.12 0.00 -1.51 0.00 0.00 54.79 50.72 2jb9 n ASP 101 Cb 0.98 2.92 -0.11 0.00 2.34 0.00 0.00 41.12 47.25 2jb9 n ASP 101 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 2jb9 s TYR 102 N -3.32 -0.06 -0.03 -0.67 2.02 -1.26 -1.07 117.35 112.96 2jb9 s TYR 102 Ca 0.16 0.14 -0.02 0.00 -0.37 0.00 0.00 57.07 56.98 2jb9 s TYR 102 Cb -0.03 0.00 0.02 0.00 -0.40 0.00 0.00 41.96 41.54 2jb9 s TYR 102 CO 0.12 -0.18 0.06 -1.50 -1.57 0.00 0.00 175.55 172.48 2jb9 s ILE 103 N -0.66 -0.02 0.06 2.71 2.07 -0.26 -4.93 121.20 120.18 2jb9 s ILE 103 Ca -0.07 0.07 0.03 0.00 -1.41 0.00 0.00 60.65 59.27 2jb9 s ILE 103 Cb -0.04 -0.11 -0.04 0.00 0.13 0.00 0.00 42.46 42.40 2jb9 s ILE 103 CO 0.01 0.03 0.02 0.28 -1.91 0.00 0.00 174.94 173.36 2jb9 s THR 104 N 0.41 4.18 0.05 4.00 -1.32 -1.26 -1.61 115.64 120.09 2jb9 s THR 104 Ca -0.03 -0.80 -0.17 0.00 -1.21 0.00 0.00 61.69 59.47 2jb9 s THR 104 Cb -0.05 -2.95 -0.06 0.00 -1.51 0.00 0.00 72.50 67.93 2jb9 s THR 104 CO -0.01 0.21 0.50 -0.54 -2.21 0.00 0.00 174.62 172.57 2jb9 s LYS 105 N -2.06 4.07 0.45 7.08 1.02 0.54 -3.19 119.74 127.64 2jb9 s LYS 105 Ca 0.24 0.59 -0.21 0.00 0.02 0.00 0.00 55.97 56.61 2jb9 s LYS 105 Cb -0.12 -3.20 -0.10 0.00 -0.52 0.00 0.00 37.83 33.89 2jb9 s LYS 105 CO 0.16 0.65 0.99 -1.25 -0.92 0.00 0.00 175.35 174.98 2jb9 s PRO 106 N -1.18 4.08 0.18 -1.68 0.04 -1.26 -2.23 135.00 132.95 2jb9 s PRO 106 Ca 0.28 1.23 0.10 0.00 0.04 0.00 0.00 61.00 62.65 2jb9 s PRO 106 Cb -0.18 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 2jb9 s PRO 106 CO 0.17 -0.17 -0.21 -0.59 0.04 0.00 0.00 177.00 176.24 2jb9 s PHE 107 N -2.06 2.05 0.52 0.56 -0.71 -1.19 -5.05 117.98 112.09 2jb9 s PHE 107 Ca 0.63 -0.41 -0.16 0.00 -1.04 0.00 0.00 56.93 55.95 2jb9 s PHE 107 Cb -0.13 -1.01 -0.08 0.00 -1.21 0.00 0.00 43.02 40.59 2jb9 s PHE 107 CO 0.17 0.42 0.99 -1.54 -1.34 0.00 0.00 175.22 173.91 2jb9 s SER 108 N -2.68 6.59 0.37 1.98 1.04 -1.26 -4.96 113.70 114.77 2jb9 s SER 108 Ca 0.18 1.55 0.08 0.00 0.48 0.00 0.00 55.95 58.24 2jb9 s SER 108 Cb -0.07 -2.50 0.79 0.00 0.10 0.00 0.00 66.02 64.34 2jb9 s SER 108 CO 0.08 -0.61 1.94 -0.65 0.98 0.00 0.00 173.24 174.98 2jb9 h PRO 109 N 0.82 0.68 -0.25 4.02 0.11 -2.00 -1.87 132.00 133.51 2jb9 h PRO 109 Ca -0.47 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2jb9 h PRO 109 Cb 1.18 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2jb9 h PRO 109 CO 0.62 0.45 0.07 -0.22 -0.21 0.00 0.00 178.00 178.71 2jb9 h LYS 110 N 0.70 0.40 -0.58 1.05 3.64 -2.00 -2.25 116.57 117.54 2jb9 h LYS 110 Ca 0.35 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.56 2jb9 h LYS 110 Cb 0.42 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2jb9 h LYS 110 CO -0.13 0.48 0.05 1.49 -2.27 0.00 0.00 179.45 179.07 2jb9 h GLU 111 N 0.24 0.98 -0.20 1.90 4.81 -1.88 0.90 114.58 121.33 2jb9 h GLU 111 Ca 0.08 -0.29 0.02 0.00 -0.13 0.00 0.00 59.36 59.05 2jb9 h GLU 111 Cb 0.25 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 2jb9 h GLU 111 CO -0.00 0.96 0.04 1.25 -0.73 0.00 0.00 179.01 180.53 2jb9 h LEU 112 N 0.87 0.02 -0.44 1.64 5.85 -1.27 -0.34 115.31 121.64 2jb9 h LEU 112 Ca 0.17 0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.76 2jb9 h LEU 112 Cb 0.48 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2jb9 h LEU 112 CO 0.02 0.04 -0.39 0.58 -0.34 0.00 0.00 178.44 178.35 2jb9 h VAL 113 N 0.13 1.28 -0.34 1.05 2.07 -1.21 -2.43 116.25 116.79 2jb9 h VAL 113 Ca 0.09 -1.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.04 2jb9 h VAL 113 Cb 0.08 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2jb9 h VAL 113 CO -0.11 0.52 0.21 0.00 0.02 0.00 0.00 177.57 178.20 2jb9 h ALA 114 N 0.83 0.43 -0.24 1.67 0.00 -0.58 -0.01 119.26 121.37 2jb9 h ALA 114 Ca 0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2jb9 h ALA 114 Cb 0.97 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2jb9 h ALA 114 CO 0.09 -0.07 0.03 0.00 0.00 0.00 0.00 179.25 179.30 2jb9 h ARG 115 N 0.44 0.40 -0.25 0.00 2.47 -0.99 -1.22 114.38 115.23 2jb9 h ARG 115 Ca 0.12 -0.11 -0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2jb9 h ARG 115 Cb 0.01 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 2jb9 h ARG 115 CO -0.02 0.54 0.14 0.82 0.56 0.00 0.00 179.97 182.01 2jb9 h ILE 116 N 0.19 1.11 -0.58 2.04 2.04 -1.35 -2.21 117.51 118.75 2jb9 h ILE 116 Ca 0.07 -0.29 0.07 0.00 1.00 0.00 0.00 64.86 65.71 2jb9 h ILE 116 Cb 0.34 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 2jb9 h ILE 116 CO 0.01 0.11 0.28 0.11 0.00 0.00 0.00 178.15 178.65 2jb9 h LYS 117 N 0.29 0.50 -0.55 2.37 1.57 -0.87 -1.56 116.57 118.32 2jb9 h LYS 117 Ca 0.09 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2jb9 h LYS 117 Cb 0.05 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2jb9 h LYS 117 CO -0.01 0.33 0.25 0.00 -0.57 0.00 0.00 179.45 179.45 2jb9 h ALA 118 N 1.34 0.71 -0.13 3.86 0.00 -0.93 0.11 119.26 124.22 2jb9 h ALA 118 Ca 0.27 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 2jb9 h ALA 118 Cb 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2jb9 h ALA 118 CO -0.22 0.28 -0.60 -0.39 0.00 0.00 0.00 179.25 178.33 2jb9 h VAL 119 N 0.74 1.35 -0.06 0.00 -1.51 -1.22 -2.84 116.25 112.70 2jb9 h VAL 119 Ca 0.19 -1.90 -0.15 0.00 -1.23 0.00 0.00 66.70 63.61 2jb9 h VAL 119 Cb 0.14 1.90 -0.01 0.00 -2.13 0.00 0.00 31.29 31.18 2jb9 h VAL 119 CO -0.02 0.58 -0.62 0.24 -1.23 0.00 0.00 177.57 176.52 2jb9 h MET 120 N 0.33 0.23 -0.50 5.19 2.07 -1.01 0.19 114.93 121.43 2jb9 h MET 120 Ca -0.00 -0.16 -0.12 0.00 -2.07 0.00 0.00 59.70 57.35 2jb9 h MET 120 Cb 1.13 0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.87 2jb9 h MET 120 CO 0.10 0.78 -0.14 -0.09 1.07 0.00 0.00 176.91 178.63 2jb9 h ARG 121 N 0.17 0.98 0.00 1.72 2.43 -0.84 -2.69 114.38 116.15 2jb9 h ARG 121 Ca -0.01 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 2jb9 h ARG 121 Cb 1.13 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2jb9 h ARG 121 CO 0.10 1.06 -0.56 2.89 -1.51 0.00 0.00 179.97 181.94 2jb9 n ARG 122 N -4.17 0.03 -0.38 0.20 1.85 -1.08 -5.11 116.66 108.00 2jb9 n ARG 122 Ca 0.01 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 2jb9 n ARG 122 Cb 0.42 -1.52 0.00 0.00 -1.05 0.00 0.00 32.46 30.31 2jb9 n ARG 122 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73