#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jba n ARG 3 N 0.00 1.64 -2.84 0.00 1.74 -1.26 -4.84 116.66 111.09 2jba n ARG 3 Ca 0.00 -3.23 -0.42 0.00 -0.77 0.00 0.00 57.85 53.43 2jba n ARG 3 Cb 0.00 -1.33 -0.04 0.00 -1.02 0.00 0.00 32.46 30.07 2jba n ARG 3 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2jba s ARG 4 N -2.74 4.19 -0.20 5.56 3.52 -1.26 -0.47 118.95 127.56 2jba s ARG 4 Ca 0.35 1.02 0.00 0.00 -0.13 0.00 0.00 55.73 56.97 2jba s ARG 4 Cb 0.36 -3.65 0.02 0.00 -1.56 0.00 0.00 34.95 30.13 2jba s ARG 4 CO -0.06 -0.55 -0.15 0.42 -0.81 0.00 0.00 175.30 174.15 2jba s ILE 5 N 2.93 2.35 -0.26 4.11 -1.09 -0.42 -0.42 121.20 128.40 2jba s ILE 5 Ca 0.37 -0.97 -0.24 0.00 -2.23 0.00 0.00 60.65 57.58 2jba s ILE 5 Cb -0.15 -2.07 -0.00 0.00 -1.58 0.00 0.00 42.46 38.65 2jba s ILE 5 CO 0.07 0.41 0.79 -0.22 -1.23 0.00 0.00 174.94 174.77 2jba s LEU 6 N 1.30 4.08 -0.64 2.97 2.96 -0.58 -0.82 118.68 127.93 2jba s LEU 6 Ca 0.03 0.89 -0.13 0.00 -0.22 0.00 0.00 54.13 54.70 2jba s LEU 6 Cb -0.14 -3.12 0.16 0.00 0.50 0.00 0.00 46.19 43.59 2jba s LEU 6 CO -0.10 -0.53 0.56 -0.69 -1.32 0.00 0.00 176.35 174.28 2jba s VAL 7 N 2.84 5.01 -0.82 1.68 1.01 0.37 -0.70 120.40 129.78 2jba s VAL 7 Ca 0.33 -2.07 -0.16 0.00 0.00 0.00 0.00 61.98 60.08 2jba s VAL 7 Cb -0.15 -4.18 0.18 0.00 0.00 0.00 0.00 36.38 32.23 2jba s VAL 7 CO 0.09 -0.91 0.85 -0.69 0.00 0.00 0.00 175.10 174.44 2jba s VAL 8 N 0.84 5.28 -0.15 2.92 1.01 0.39 -1.14 120.40 129.57 2jba s VAL 8 Ca 0.11 -2.05 -0.06 0.00 0.00 0.00 0.00 61.98 59.97 2jba s VAL 8 Cb -0.21 -4.55 0.07 0.00 0.00 0.00 0.00 36.38 31.69 2jba s VAL 8 CO -0.03 -1.16 0.31 -0.70 0.00 0.00 0.00 175.10 173.52 2jba s GLU 9 N 1.14 0.22 0.21 2.72 2.56 -0.83 -0.90 118.70 123.81 2jba s GLU 9 Ca 0.21 0.81 0.25 0.00 0.00 0.00 0.00 54.97 56.23 2jba s GLU 9 Cb -0.11 0.06 0.53 0.00 2.00 0.00 0.00 34.13 36.61 2jba s GLU 9 CO -0.07 -0.25 1.55 0.38 -0.56 0.00 0.00 175.26 176.30 2jba h ASP 10 N 8.06 0.00 -3.32 -1.70 2.03 -1.80 -3.39 116.42 116.30 2jba h ASP 10 Ca -0.19 -0.08 -0.57 0.00 -0.73 0.00 0.00 57.03 55.46 2jba h ASP 10 Cb 1.12 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.53 2jba h ASP 10 CO 0.17 0.04 0.82 -1.61 -1.03 0.00 0.00 179.24 177.62 2jba s GLU 11 N -3.16 3.49 0.19 4.15 0.41 -1.26 -4.93 118.70 117.60 2jba s GLU 11 Ca 0.08 0.14 -0.11 0.00 -0.41 0.00 0.00 54.97 54.67 2jba s GLU 11 Cb 0.12 -4.00 0.19 0.00 -1.78 0.00 0.00 34.13 28.65 2jba s GLU 11 CO 0.66 -1.54 1.79 0.00 -0.49 0.00 0.00 175.26 175.68 2jba h ALA 12 N 9.39 0.76 -0.75 5.21 0.00 -1.98 -0.28 119.26 131.61 2jba h ALA 12 Ca -0.25 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2jba h ALA 12 Cb 1.06 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2jba h ALA 12 CO 1.13 -0.04 0.41 -1.00 0.00 0.00 0.00 179.25 179.75 2jba h PRO 13 N 0.57 1.04 -0.19 0.00 0.13 -1.98 -1.00 132.00 130.56 2jba h PRO 13 Ca 0.26 -0.12 -0.04 0.00 -0.87 0.00 0.00 66.00 65.23 2jba h PRO 13 Cb 0.17 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.09 2jba h PRO 13 CO -0.18 0.77 -0.06 0.82 -0.23 0.00 0.00 178.00 179.12 2jba h ILE 14 N 1.05 1.29 -0.57 -3.56 2.04 -1.83 -1.88 117.51 114.05 2jba h ILE 14 Ca 0.26 -1.05 0.04 0.00 1.00 0.00 0.00 64.86 65.11 2jba h ILE 14 Cb 0.03 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 2jba h ILE 14 CO -0.04 0.32 0.32 -0.09 0.00 0.00 0.00 178.15 178.66 2jba h ARG 15 N 0.08 0.61 -0.28 2.37 2.43 -0.80 -0.12 114.38 118.67 2jba h ARG 15 Ca 0.05 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 2jba h ARG 15 Cb 0.51 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2jba h ARG 15 CO 0.02 0.41 -0.37 0.93 -1.51 0.00 0.00 179.97 179.45 2jba h GLU 16 N 0.63 0.65 -0.48 0.20 5.08 -1.20 -1.23 114.58 118.23 2jba h GLU 16 Ca 0.24 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2jba h GLU 16 Cb 0.08 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2jba h GLU 16 CO -0.13 0.92 0.26 1.98 -1.00 0.00 0.00 179.01 181.04 2jba h MET 17 N 0.54 0.67 -0.51 2.33 4.05 -0.90 -1.36 114.93 119.74 2jba h MET 17 Ca 0.05 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 2jba h MET 17 Cb 0.88 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.53 2jba h MET 17 CO 0.08 0.53 0.28 0.28 0.23 0.00 0.00 176.91 178.31 2jba h VAL 18 N 0.63 1.18 -0.65 -5.77 2.07 -0.79 -1.26 116.25 111.66 2jba h VAL 18 Ca 0.17 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2jba h VAL 18 Cb 0.06 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2jba h VAL 18 CO -0.03 0.19 0.41 0.00 0.02 0.00 0.00 177.57 178.17 2jba h PHE 20 N 0.88 0.05 -0.54 0.00 3.57 -0.86 0.13 116.94 120.17 2jba h PHE 20 Ca 0.24 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.76 2jba h PHE 20 Cb -0.07 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 2jba h PHE 20 CO -0.02 0.03 0.34 0.28 -2.23 0.00 0.00 178.31 176.70 2jba h VAL 21 N 0.08 1.09 -0.24 1.41 2.07 -0.90 -2.06 116.25 117.70 2jba h VAL 21 Ca 0.04 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 2jba h VAL 21 Cb 0.03 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 2jba h VAL 21 CO -0.05 0.12 0.08 -0.07 0.02 0.00 0.00 177.57 177.67 2jba h LEU 22 N 0.68 0.34 -0.64 2.57 3.38 -0.83 -2.46 115.31 118.35 2jba h LEU 22 Ca 0.21 -0.19 0.12 0.00 0.09 0.00 0.00 57.88 58.11 2jba h LEU 22 Cb -0.02 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.55 2jba h LEU 22 CO -0.07 0.44 0.16 -0.33 0.09 0.00 0.00 178.44 178.73 2jba h GLU 23 N 0.22 0.29 0.00 1.13 5.08 -0.86 -0.73 114.58 119.71 2jba h GLU 23 Ca 0.08 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2jba h GLU 23 Cb 0.22 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2jba h GLU 23 CO -0.00 0.19 0.00 1.04 -1.00 0.00 0.00 179.01 179.24 2jba n GLN 24 N -5.11 0.06 -0.38 2.33 1.13 -0.79 -2.55 117.38 112.07 2jba n GLN 24 Ca 0.10 0.16 0.08 0.00 -1.94 0.00 0.00 57.00 55.40 2jba n GLN 24 Cb 0.35 -1.59 0.23 0.00 0.11 0.00 0.00 30.24 29.35 2jba n GLN 24 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2jba n ASN 25 N -1.69 3.66 0.00 1.08 3.02 -0.80 -4.98 115.26 115.55 2jba n ASN 25 Ca 0.05 -2.74 0.00 0.00 -0.03 0.00 0.00 54.58 51.87 2jba n ASN 25 Cb 0.29 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 2jba n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jba n GLY 26 N -0.21 0.72 3.99 7.41 0.00 -1.06 -5.04 105.19 111.01 2jba n GLY 26 Ca 0.19 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 2jba n GLY 26 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jba s PHE 27 N -2.00 3.06 -0.56 1.61 0.08 -0.35 -4.91 117.98 114.91 2jba s PHE 27 Ca 0.00 -0.23 -0.01 0.00 0.12 0.00 0.00 56.93 56.81 2jba s PHE 27 Cb 0.00 -2.08 0.15 0.00 -0.57 0.00 0.00 43.02 40.52 2jba s PHE 27 CO 0.00 -0.10 0.35 -0.65 -0.10 0.00 0.00 175.22 174.72 2jba s GLN 28 N -4.22 2.32 0.37 0.44 1.11 0.38 -3.98 119.66 116.08 2jba s GLN 28 Ca 0.47 -2.42 -0.22 0.00 0.01 0.00 0.00 55.36 53.19 2jba s GLN 28 Cb -0.10 -3.61 -0.10 0.00 -1.01 0.00 0.00 33.01 28.20 2jba s GLN 28 CO 0.32 -1.14 0.92 -1.25 0.01 0.00 0.00 175.29 174.15 2jba s PRO 29 N 0.10 4.35 -0.10 2.91 0.04 -1.26 -1.30 135.00 139.75 2jba s PRO 29 Ca 0.15 1.16 0.02 0.00 0.04 0.00 0.00 61.00 62.37 2jba s PRO 29 Cb -0.22 -2.48 0.01 0.00 0.04 0.00 0.00 34.50 31.86 2jba s PRO 29 CO -0.03 0.13 -0.14 0.08 0.04 0.00 0.00 177.00 177.08 2jba s VAL 30 N -1.91 1.35 0.21 -0.36 1.01 -0.01 -4.89 120.40 115.81 2jba s VAL 30 Ca 0.56 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 2jba s VAL 30 Cb -0.13 -1.24 -0.08 0.00 0.00 0.00 0.00 36.38 34.92 2jba s VAL 30 CO 0.18 0.41 1.03 -1.61 0.00 0.00 0.00 175.10 175.11 2jba s GLU 31 N 0.95 4.70 -0.23 2.72 2.02 -1.26 -0.48 118.70 127.12 2jba s GLU 31 Ca -0.08 1.64 -0.03 0.00 0.02 0.00 0.00 54.97 56.52 2jba s GLU 31 Cb -0.15 -3.27 0.08 0.00 0.10 0.00 0.00 34.13 30.89 2jba s GLU 31 CO -0.00 0.26 0.08 0.00 0.02 0.00 0.00 175.26 175.62 2jba s ALA 32 N -0.74 0.89 -1.12 5.21 0.00 -0.29 -4.87 121.76 120.84 2jba s ALA 32 Ca 0.45 -0.88 0.26 0.00 0.00 0.00 0.00 51.96 51.79 2jba s ALA 32 Cb -0.28 -1.28 0.78 0.00 0.00 0.00 0.00 23.12 22.34 2jba s ALA 32 CO 0.35 -1.37 1.60 -0.85 0.00 0.00 0.00 175.76 175.48 2jba n GLU 33 N 5.11 0.13 -3.91 0.00 0.28 -1.26 -1.97 120.64 119.01 2jba n GLU 33 Ca -0.07 -0.06 -0.11 0.00 -0.16 0.00 0.00 57.16 56.77 2jba n GLU 33 Cb 0.45 -1.50 -0.00 0.00 1.43 0.00 0.00 31.44 31.82 2jba n GLU 33 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 2jba s ASP 34 N -2.91 0.27 0.07 -1.84 1.47 -1.26 -4.09 116.67 108.39 2jba s ASP 34 Ca 0.14 -1.21 -0.24 0.00 1.18 0.00 0.00 52.55 52.43 2jba s ASP 34 Cb 0.18 0.78 -0.16 0.00 -0.34 0.00 0.00 42.92 43.38 2jba s ASP 34 CO 0.62 -1.53 1.67 0.22 0.68 0.00 0.00 175.17 176.84 2jba h TYR 35 N 2.04 -0.02 -0.44 2.11 3.20 -1.57 -2.23 116.97 120.07 2jba h TYR 35 Ca -0.30 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.52 2jba h TYR 35 Cb 1.25 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.50 2jba h TYR 35 CO 1.32 0.06 0.06 -0.44 -1.64 0.00 0.00 178.16 177.51 2jba h ASP 36 N -0.09 0.63 -0.89 -2.11 3.32 -1.88 -0.94 116.42 114.48 2jba h ASP 36 Ca -0.00 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 2jba h ASP 36 Cb 0.08 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 2jba h ASP 36 CO 0.00 0.66 0.48 0.28 -1.72 0.00 0.00 179.24 178.95 2jba h SER 37 N 0.65 1.11 -0.17 6.45 0.02 -1.91 -0.93 113.55 118.77 2jba h SER 37 Ca 0.14 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 2jba h SER 37 Cb 0.31 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 2jba h SER 37 CO 0.00 0.89 -0.09 0.00 -1.14 0.00 0.00 176.83 176.50 2jba h ALA 38 N 1.29 0.24 -0.84 3.77 0.00 -0.75 -2.89 119.26 120.08 2jba h ALA 38 Ca 0.31 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 55.01 2jba h ALA 38 Cb 0.03 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 2jba h ALA 38 CO -0.05 0.07 0.54 0.28 0.00 0.00 0.00 179.25 180.09 2jba h VAL 39 N 0.04 1.02 0.00 0.00 2.07 -0.93 -1.51 116.25 116.94 2jba h VAL 39 Ca 0.04 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2jba h VAL 39 Cb 0.57 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2jba h VAL 39 CO 0.03 0.16 0.00 0.59 0.02 0.00 0.00 177.57 178.37 2jba n ASN 40 N -4.50 0.00 -1.01 0.57 3.02 -0.38 -1.92 115.26 111.06 2jba n ASN 40 Ca 0.13 -0.04 0.12 0.00 -0.03 0.00 0.00 54.58 54.76 2jba n ASN 40 Cb 0.24 -0.27 0.13 0.00 -0.61 0.00 0.00 39.78 39.28 2jba n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jba n GLN 41 N -1.27 2.35 -2.21 3.52 1.13 -0.57 -4.74 117.38 115.60 2jba n GLN 41 Ca 0.10 -2.02 -0.42 0.00 -1.94 0.00 0.00 57.00 52.72 2jba n GLN 41 Cb 0.15 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.04 2jba n GLN 41 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2jba n LEU 42 N 1.38 6.57 -3.78 1.08 4.77 -0.81 -4.60 117.00 121.61 2jba n LEU 42 Ca 0.15 -4.46 -0.03 0.00 -0.03 0.00 0.00 56.01 51.64 2jba n LEU 42 Cb 0.60 -1.55 -0.01 0.00 -2.33 0.00 0.00 43.42 40.13 2jba n LEU 42 CO 0.15 1.22 0.74 0.54 -1.33 0.00 0.00 177.39 178.71 2jba s ASN 43 N 1.78 -0.13 0.19 -1.43 2.20 -1.26 -5.08 114.94 111.20 2jba s ASN 43 Ca 0.42 -0.48 -0.33 0.00 -0.94 0.00 0.00 52.86 51.54 2jba s ASN 43 Cb 0.10 0.49 -0.13 0.00 -2.00 0.00 0.00 41.25 39.71 2jba s ASN 43 CO -0.02 -0.93 1.61 -0.62 -2.94 0.00 0.00 177.10 174.20 2jba n GLU 44 N -0.52 2.36 -2.73 3.55 -0.58 -1.26 -2.82 120.64 118.64 2jba n GLU 44 Ca -0.06 0.85 -0.42 0.00 -0.42 0.00 0.00 57.16 57.12 2jba n GLU 44 Cb 0.60 -2.64 -0.03 0.00 -0.57 0.00 0.00 31.44 28.81 2jba n GLU 44 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2jba s PRO 45 N 0.82 4.58 0.37 3.49 0.04 -1.26 -5.12 135.00 137.92 2jba s PRO 45 Ca 0.76 1.40 -0.27 0.00 0.04 0.00 0.00 61.00 62.93 2jba s PRO 45 Cb -0.62 -3.44 -0.09 0.00 0.04 0.00 0.00 34.50 30.39 2jba s PRO 45 CO 0.37 0.01 1.22 -1.58 0.04 0.00 0.00 177.00 177.06 2jba s TRP 46 N 0.80 3.08 0.44 0.56 0.52 -1.13 -4.96 118.94 118.26 2jba s TRP 46 Ca 0.50 1.51 -0.25 0.00 0.02 0.00 0.00 56.10 57.88 2jba s TRP 46 Cb -0.21 -3.51 -0.09 0.00 -1.15 0.00 0.00 33.47 28.51 2jba s TRP 46 CO 0.28 -1.50 1.34 -2.30 0.02 0.00 0.00 176.95 174.78 2jba n PRO 47 N 0.43 2.05 0.10 4.98 -0.02 -1.26 -4.87 135.00 136.41 2jba n PRO 47 Ca 0.02 0.73 0.06 0.00 -2.02 0.00 0.00 63.50 62.29 2jba n PRO 47 Cb 0.44 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2jba n PRO 47 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2jba h ASP 48 N 2.14 0.00 -4.52 2.55 5.19 -1.06 -3.48 116.42 117.24 2jba h ASP 48 Ca -0.49 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 55.86 2jba h ASP 48 Cb 1.28 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.59 2jba h ASP 48 CO 0.60 0.31 0.11 -0.22 -3.12 0.00 0.00 179.24 176.92 2jba s LEU 49 N -5.88 -0.53 -0.12 1.55 0.20 -1.11 -4.25 118.68 108.54 2jba s LEU 49 Ca 0.01 0.99 0.02 0.00 0.69 0.00 0.00 54.13 55.83 2jba s LEU 49 Cb 0.08 2.36 -0.01 0.00 -0.43 0.00 0.00 46.19 48.19 2jba s LEU 49 CO 0.77 -0.42 -0.18 -0.63 -0.29 0.00 0.00 176.35 175.59 2jba s ILE 50 N -0.46 2.55 -0.21 6.68 1.01 -0.05 -1.53 121.20 129.18 2jba s ILE 50 Ca -0.06 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 59.64 2jba s ILE 50 Cb -0.03 -2.03 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 2jba s ILE 50 CO 0.05 0.54 0.16 -0.76 0.00 0.00 0.00 174.94 174.94 2jba s LEU 51 N 0.36 4.17 -0.08 2.97 1.43 0.12 -0.45 118.68 127.20 2jba s LEU 51 Ca -0.15 0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 53.15 2jba s LEU 51 Cb -0.17 -2.13 0.03 0.00 0.03 0.00 0.00 46.19 43.95 2jba s LEU 51 CO 0.07 0.12 0.02 -0.22 0.23 0.00 0.00 176.35 176.57 2jba s LEU 52 N 0.68 0.56 0.66 1.79 2.96 -0.08 -0.46 118.68 124.79 2jba s LEU 52 Ca 0.09 -0.13 -0.14 0.00 -0.22 0.00 0.00 54.13 53.73 2jba s LEU 52 Cb -0.12 -0.40 -0.00 0.00 0.50 0.00 0.00 46.19 46.16 2jba s LEU 52 CO 0.01 -0.21 1.08 0.00 -1.32 0.00 0.00 176.35 175.91 2jba s ALA 53 N 2.00 2.55 0.30 5.97 0.00 -0.08 -0.39 121.76 132.10 2jba s ALA 53 Ca 0.04 0.39 0.12 0.00 0.00 0.00 0.00 51.96 52.52 2jba s ALA 53 Cb -0.13 -3.26 0.53 0.00 0.00 0.00 0.00 23.12 20.26 2jba s ALA 53 CO -0.05 -1.20 1.71 -1.49 0.00 0.00 0.00 175.76 174.72 2jba h TRP 54 N -0.14 0.00 -3.29 0.00 4.06 -1.91 -3.31 115.95 111.36 2jba h TRP 54 Ca -0.46 0.00 -0.22 0.00 2.06 0.00 0.00 58.89 60.27 2jba h TRP 54 Cb 1.23 0.00 -0.30 0.00 -1.00 0.00 0.00 29.16 29.09 2jba h TRP 54 CO 0.57 0.50 -0.58 1.41 -3.56 0.00 0.00 178.44 176.79 2jba s MET 55 N -3.82 0.12 0.16 0.49 1.75 -1.26 -0.41 119.30 116.33 2jba s MET 55 Ca -0.02 0.31 0.05 0.00 -1.25 0.00 0.00 55.69 54.78 2jba s MET 55 Cb 0.13 -0.08 -0.04 0.00 2.84 0.00 0.00 34.83 37.68 2jba s MET 55 CO 0.74 -0.11 -0.10 -0.51 -0.65 0.00 0.00 175.02 174.39 2jba s LEU 56 N 0.77 2.52 0.13 4.11 1.43 -0.81 -4.77 118.68 122.07 2jba s LEU 56 Ca -0.06 -1.02 -0.33 0.00 -1.03 0.00 0.00 54.13 51.70 2jba s LEU 56 Cb -0.08 -0.37 -0.12 0.00 0.03 0.00 0.00 46.19 45.65 2jba s LEU 56 CO -0.04 -0.32 1.73 -2.65 0.23 0.00 0.00 176.35 175.30 2jba n PRO 57 N -0.22 2.53 -0.01 1.29 -0.02 -1.26 -2.74 135.00 134.55 2jba n PRO 57 Ca -0.10 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2jba n PRO 57 Cb 0.61 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 2jba n PRO 57 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jba n GLY 58 N 3.93 1.13 0.00 -1.23 0.00 -1.26 -1.52 105.19 106.24 2jba n GLY 58 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2jba n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jba n GLY 59 N -2.00 1.88 3.95 -0.02 0.00 -1.11 -4.82 105.19 103.07 2jba n GLY 59 Ca 0.00 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 2jba n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jba s SER 60 N 0.00 5.60 0.19 1.61 1.04 -1.26 -1.93 113.70 118.95 2jba s SER 60 Ca 0.00 0.33 -0.13 0.00 0.48 0.00 0.00 55.95 56.63 2jba s SER 60 Cb 0.00 -1.41 0.10 0.00 0.10 0.00 0.00 66.02 64.81 2jba s SER 60 CO 0.00 -0.93 1.85 1.23 0.98 0.00 0.00 173.24 176.38 2jba h GLY 61 N 0.14 0.85 1.03 7.32 0.00 -0.82 -1.11 103.07 110.49 2jba h GLY 61 Ca -0.45 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 46.54 2jba h GLY 61 CO 0.57 0.31 0.43 -2.22 0.00 0.00 0.00 176.54 175.63 2jba h ILE 62 N 0.82 1.25 -0.70 2.60 2.04 -1.88 -0.03 117.51 121.62 2jba h ILE 62 Ca 0.22 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.41 2jba h ILE 62 Cb -0.09 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.11 2jba h ILE 62 CO -0.05 0.30 0.46 -0.61 0.00 0.00 0.00 178.15 178.25 2jba h GLN 63 N 1.19 0.91 -0.56 2.37 4.15 -1.88 -1.39 115.11 119.90 2jba h GLN 63 Ca 0.29 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.59 2jba h GLN 63 Cb 0.08 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 2jba h GLN 63 CO -0.04 0.60 0.11 0.35 -1.93 0.00 0.00 178.83 177.92 2jba h PHE 64 N 0.93 0.98 -0.84 3.99 3.04 -0.43 -1.27 116.94 123.34 2jba h PHE 64 Ca 0.26 -0.13 0.00 0.00 3.98 0.00 0.00 57.97 62.08 2jba h PHE 64 Cb -0.09 -0.27 -0.04 0.00 2.56 0.00 0.00 35.95 38.10 2jba h PHE 64 CO -0.03 0.85 0.53 0.82 -2.02 0.00 0.00 178.31 178.47 2jba h ILE 65 N 0.82 1.22 -0.51 1.41 2.04 -0.72 -0.82 117.51 120.95 2jba h ILE 65 Ca 0.17 -0.44 -0.06 0.00 1.00 0.00 0.00 64.86 65.53 2jba h ILE 65 Cb 0.39 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 2jba h ILE 65 CO 0.01 0.22 0.05 0.11 0.00 0.00 0.00 178.15 178.54 2jba h LYS 66 N 1.14 0.81 -0.29 2.37 1.57 -0.95 -1.76 116.57 119.47 2jba h LYS 66 Ca 0.30 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2jba h LYS 66 Cb -0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 2jba h LYS 66 CO -0.06 0.78 0.18 1.25 -0.57 0.00 0.00 179.45 181.04 2jba h HIS 67 N 0.77 0.37 -0.82 -1.35 2.76 -0.63 -2.64 115.15 113.60 2jba h HIS 67 Ca 0.16 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.38 2jba h HIS 67 Cb 0.39 -0.12 -0.05 0.00 1.55 0.00 0.00 27.41 29.18 2jba h HIS 67 CO 0.02 0.25 0.54 -0.07 -1.30 0.00 0.00 177.93 177.37 2jba h LEU 68 N 0.38 0.85 -0.12 0.26 3.38 -0.57 -2.65 115.31 116.84 2jba h LEU 68 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2jba h LEU 68 Cb -0.02 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2jba h LEU 68 CO -0.02 0.57 0.00 0.54 0.09 0.00 0.00 178.44 179.62 2jba n ARG 69 N -4.46 0.21 0.12 1.13 5.12 -0.72 -2.36 116.66 115.71 2jba n ARG 69 Ca 0.11 0.23 0.13 0.00 -1.93 0.00 0.00 57.85 56.39 2jba n ARG 69 Cb 0.14 -1.77 0.44 0.00 -1.16 0.00 0.00 32.46 30.11 2jba n ARG 69 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2jba n ARG 70 N -2.15 0.24 -4.77 5.56 1.74 -1.00 -4.78 116.66 111.50 2jba n ARG 70 Ca 0.05 0.30 -0.25 0.00 -0.77 0.00 0.00 57.85 57.18 2jba n ARG 70 Cb 0.38 -1.84 -0.16 0.00 -1.02 0.00 0.00 32.46 29.82 2jba n ARG 70 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2jba s GLU 71 N -3.19 1.49 0.39 5.56 0.41 -1.21 -5.04 118.70 117.12 2jba s GLU 71 Ca 0.08 -0.57 0.06 0.00 -0.41 0.00 0.00 54.97 54.13 2jba s GLU 71 Cb 0.11 -1.37 0.80 0.00 -1.78 0.00 0.00 34.13 31.90 2jba s GLU 71 CO 0.52 0.28 2.04 0.66 -0.49 0.00 0.00 175.26 178.28 2jba h SER 72 N 6.02 0.52 0.81 -0.19 4.64 -1.87 0.48 113.55 123.97 2jba h SER 72 Ca -0.34 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2jba h SER 72 Cb 1.16 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2jba h SER 72 CO 0.48 0.39 0.00 0.23 -0.87 0.00 0.00 176.83 177.06 2jba n MET 73 N -4.46 0.15 0.00 4.77 2.81 -1.26 -3.64 117.12 115.49 2jba n MET 73 Ca 0.04 0.33 0.00 0.00 -1.81 0.00 0.00 57.70 56.26 2jba n MET 73 Cb 0.06 -1.76 0.00 0.00 -0.71 0.00 0.00 33.22 30.81 2jba n MET 73 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2jba n THR 74 N -2.05 0.00 0.38 2.03 -2.24 -0.80 -4.79 114.28 106.81 2jba n THR 74 Ca 0.03 -0.16 0.12 0.00 -2.27 0.00 0.00 64.05 61.77 2jba n THR 74 Cb 0.25 0.64 0.50 0.00 -2.10 0.00 0.00 70.33 69.63 2jba n THR 74 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2jba n ARG 75 N -1.11 0.20 -0.09 -0.78 1.85 0.10 -1.99 116.66 114.84 2jba n ARG 75 Ca 0.00 0.44 0.09 0.00 -1.00 0.00 0.00 57.85 57.38 2jba n ARG 75 Cb 0.00 -1.89 0.13 0.00 -1.05 0.00 0.00 32.46 29.65 2jba n ARG 75 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2jba n ASP 76 N -2.26 2.79 -4.69 2.89 8.00 -1.26 -4.85 116.55 117.17 2jba n ASP 76 Ca 0.02 -1.82 -0.42 0.00 0.71 0.00 0.00 54.79 53.27 2jba n ASP 76 Cb 0.22 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 2jba n ASP 76 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jba s ILE 77 N -1.33 3.85 0.36 0.53 1.01 -0.84 -4.98 121.20 119.80 2jba s ILE 77 Ca 0.26 1.23 -0.28 0.00 0.00 0.00 0.00 60.65 61.85 2jba s ILE 77 Cb 0.16 -3.79 -0.11 0.00 0.01 0.00 0.00 42.46 38.74 2jba s ILE 77 CO 0.23 0.01 1.42 -2.84 0.00 0.00 0.00 174.94 173.75 2jba s PRO 78 N 2.23 4.18 -0.09 2.79 0.02 -1.26 -4.86 135.00 138.00 2jba s PRO 78 Ca 0.62 2.43 0.03 0.00 0.02 0.00 0.00 61.00 64.10 2jba s PRO 78 Cb -0.30 -2.99 0.01 0.00 0.02 0.00 0.00 34.50 31.24 2jba s PRO 78 CO 0.26 -0.42 -0.19 0.08 -0.33 0.00 0.00 177.00 176.39 2jba s VAL 79 N -1.13 1.70 -0.18 3.83 1.01 -1.26 -0.87 120.40 123.49 2jba s VAL 79 Ca 0.52 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.70 2jba s VAL 79 Cb -0.44 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.47 2jba s VAL 79 CO 0.59 0.48 -0.19 -0.69 0.00 0.00 0.00 175.10 175.29 2jba s VAL 80 N 0.49 2.14 0.36 2.92 1.01 0.41 -0.11 120.40 127.61 2jba s VAL 80 Ca -0.17 -0.92 -0.26 0.00 0.00 0.00 0.00 61.98 60.63 2jba s VAL 80 Cb -0.17 -1.90 -0.09 0.00 0.00 0.00 0.00 36.38 34.22 2jba s VAL 80 CO 0.06 0.53 1.09 -0.04 0.00 0.00 0.00 175.10 176.75 2jba s MET 81 N 1.30 4.28 -0.34 2.72 -1.94 -0.00 -0.90 119.30 124.42 2jba s MET 81 Ca 0.05 1.69 -0.10 0.00 -1.71 0.00 0.00 55.69 55.62 2jba s MET 81 Cb -0.13 -2.78 0.01 0.00 2.01 0.00 0.00 34.83 33.94 2jba s MET 81 CO -0.12 -0.08 0.17 -0.51 -0.01 0.00 0.00 175.02 174.47 2jba s LEU 82 N -2.23 4.36 -0.15 -0.03 1.43 0.47 -0.88 118.68 121.66 2jba s LEU 82 Ca 0.53 -0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 2jba s LEU 82 Cb -0.27 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 43.94 2jba s LEU 82 CO 0.35 -0.29 -0.12 -0.89 0.23 0.00 0.00 176.35 175.63 2jba s THR 83 N 1.56 3.07 -0.07 5.49 2.01 -0.31 -3.93 115.64 123.47 2jba s THR 83 Ca 0.03 -0.64 -0.30 0.00 0.31 0.00 0.00 61.69 61.09 2jba s THR 83 Cb -0.18 -2.31 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 2jba s THR 83 CO 0.06 0.51 1.11 0.00 -0.69 0.00 0.00 174.62 175.61 2jba s ALA 84 N 0.61 3.45 0.37 7.40 0.00 -1.26 0.13 121.76 132.46 2jba s ALA 84 Ca -0.07 0.52 -0.25 0.00 0.00 0.00 0.00 51.96 52.16 2jba s ALA 84 Cb -0.15 -3.48 -0.13 0.00 0.00 0.00 0.00 23.12 19.36 2jba s ALA 84 CO 0.03 -0.68 0.84 -2.13 0.00 0.00 0.00 175.76 173.82 2jba n ARG 85 N 5.06 1.03 0.00 0.00 0.63 -0.73 -1.83 116.66 120.81 2jba n ARG 85 Ca 0.10 0.37 0.00 0.00 -0.92 0.00 0.00 57.85 57.40 2jba n ARG 85 Cb 0.47 -1.76 0.00 0.00 0.45 0.00 0.00 32.46 31.63 2jba n ARG 85 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jba n GLY 86 N 1.43 0.97 0.23 5.14 0.00 -1.26 -4.59 105.19 107.10 2jba n GLY 86 Ca 0.11 -1.36 -0.03 0.00 0.00 0.00 0.00 46.02 44.73 2jba n GLY 86 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jba h GLU 87 N 0.00 0.59 -0.21 1.61 4.81 -2.01 -2.12 114.58 117.26 2jba h GLU 87 Ca 0.00 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 2jba h GLU 87 Cb 0.00 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2jba h GLU 87 CO 0.00 0.39 -0.03 1.49 -0.73 0.00 0.00 179.01 180.13 2jba h GLU 88 N 0.61 0.40 -0.97 1.92 4.81 -1.81 -2.28 114.58 117.26 2jba h GLU 88 Ca 0.26 -0.14 0.11 0.00 -0.13 0.00 0.00 59.36 59.46 2jba h GLU 88 Cb 0.14 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.42 2jba h GLU 88 CO -0.16 0.62 0.62 1.49 -0.73 0.00 0.00 179.01 180.85 2jba h GLU 89 N 0.13 0.94 -0.44 1.92 4.81 -1.13 -1.68 114.58 119.13 2jba h GLU 89 Ca 0.06 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 2jba h GLU 89 Cb 0.47 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2jba h GLU 89 CO 0.02 0.62 -0.24 -0.44 -0.73 0.00 0.00 179.01 178.24 2jba h ASP 90 N 0.96 0.97 0.09 1.04 3.45 -1.18 -2.61 116.42 119.14 2jba h ASP 90 Ca 0.46 -0.41 -0.09 0.00 0.43 0.00 0.00 57.03 57.42 2jba h ASP 90 Cb 0.45 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.94 2jba h ASP 90 CO -0.23 1.17 -0.30 -0.09 -1.57 0.00 0.00 179.24 178.23 2jba h ARG 91 N 0.77 0.31 -0.05 3.56 2.43 -0.79 -3.29 114.38 117.31 2jba h ARG 91 Ca 0.09 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2jba h ARG 91 Cb 0.82 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 2jba h ARG 91 CO 0.07 0.59 0.00 1.33 -1.51 0.00 0.00 179.97 180.45 2jba n VAL 92 N -4.11 0.06 -2.02 0.20 0.24 -0.70 -4.91 118.33 107.09 2jba n VAL 92 Ca -0.01 -0.53 -0.42 0.00 -2.04 0.00 0.00 64.34 61.34 2jba n VAL 92 Cb 0.41 1.31 -0.03 0.00 -1.47 0.00 0.00 33.84 34.06 2jba n VAL 92 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jba s ARG 93 N -1.43 4.25 -0.03 7.34 1.70 -0.99 -2.46 118.95 127.34 2jba s ARG 93 Ca 0.21 2.25 0.00 0.00 -0.47 0.00 0.00 55.73 57.72 2jba s ARG 93 Cb 0.15 -3.22 0.00 0.00 -0.57 0.00 0.00 34.95 31.31 2jba s ARG 93 CO 0.22 -0.55 0.00 0.41 -1.08 0.00 0.00 175.30 174.30 2jba n GLY 94 N 3.67 0.39 3.62 3.88 0.00 -1.26 -4.99 105.19 110.50 2jba n GLY 94 Ca 0.13 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2jba n GLY 94 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jba s LEU 95 N -0.06 3.81 -0.19 0.99 2.96 -1.03 -5.01 118.68 120.15 2jba s LEU 95 Ca 0.00 0.72 -0.29 0.00 -0.22 0.00 0.00 54.13 54.34 2jba s LEU 95 Cb 0.00 -3.51 0.00 0.00 0.50 0.00 0.00 46.19 43.18 2jba s LEU 95 CO 0.00 -1.05 1.01 -1.61 -1.32 0.00 0.00 176.35 173.38 2jba s GLU 96 N 3.99 4.31 0.00 1.98 0.41 -1.26 -4.87 118.70 123.25 2jba s GLU 96 Ca 0.46 1.33 0.00 0.00 -0.41 0.00 0.00 54.97 56.35 2jba s GLU 96 Cb -0.10 -3.61 0.00 0.00 -1.78 0.00 0.00 34.13 28.64 2jba s GLU 96 CO 0.23 -0.51 0.07 0.25 -0.49 0.00 0.00 175.26 174.80 2jba n THR 97 N 5.05 0.00 -0.38 3.63 -2.24 -1.26 -4.99 114.28 114.09 2jba n THR 97 Ca 0.10 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2jba n THR 97 Cb 0.47 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 2jba n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jba n GLY 98 N 0.66 1.45 3.73 3.38 0.00 -1.26 -4.96 105.19 108.19 2jba n GLY 98 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2jba n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jba s ALA 99 N -3.09 2.31 -0.00 4.61 0.00 -1.26 -4.91 121.76 119.41 2jba s ALA 99 Ca 0.00 1.05 0.11 0.00 0.00 0.00 0.00 51.96 53.12 2jba s ALA 99 Cb 0.00 -3.50 -0.21 0.00 0.00 0.00 0.00 23.12 19.41 2jba s ALA 99 CO 0.00 -1.62 0.90 -0.44 0.00 0.00 0.00 175.76 174.60 2jba h ASP 100 N 0.29 0.00 -2.44 0.00 3.32 -0.91 -3.49 116.42 113.20 2jba h ASP 100 Ca -0.50 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.59 2jba h ASP 100 Cb 1.31 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 2jba h ASP 100 CO 0.52 0.95 0.32 -0.67 -1.72 0.00 0.00 179.24 178.65 2jba n ASP 101 N -3.14 -1.69 -3.80 6.45 -0.08 -1.10 -5.02 116.55 108.17 2jba n ASP 101 Ca -0.10 -2.07 -0.09 0.00 -1.51 0.00 0.00 54.79 51.01 2jba n ASP 101 Cb 0.99 2.79 -0.06 0.00 2.34 0.00 0.00 41.12 47.18 2jba n ASP 101 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jba s ILE 103 N -3.86 0.01 -0.08 0.00 2.07 -0.06 -4.88 121.20 114.40 2jba s ILE 103 Ca 0.07 -0.05 -0.16 0.00 -1.41 0.00 0.00 60.65 59.09 2jba s ILE 103 Cb 0.03 -0.28 -0.05 0.00 0.13 0.00 0.00 42.46 42.29 2jba s ILE 103 CO -0.09 -0.03 0.42 -0.89 -1.91 0.00 0.00 174.94 172.44 2jba s THR 104 N -0.02 5.14 0.03 4.00 2.01 -1.26 -1.16 115.64 124.38 2jba s THR 104 Ca -0.01 0.85 -0.19 0.00 0.31 0.00 0.00 61.69 62.65 2jba s THR 104 Cb -0.02 -3.75 -0.06 0.00 0.01 0.00 0.00 72.50 68.69 2jba s THR 104 CO 0.00 0.44 0.54 -0.54 -0.69 0.00 0.00 174.62 174.37 2jba s LYS 105 N -0.07 4.19 0.34 4.92 1.02 0.12 -3.38 119.74 126.88 2jba s LYS 105 Ca 0.24 0.66 -0.26 0.00 0.02 0.00 0.00 55.97 56.63 2jba s LYS 105 Cb -0.15 -3.27 -0.10 0.00 -0.52 0.00 0.00 37.83 33.78 2jba s LYS 105 CO 0.10 0.55 0.97 -1.25 -0.92 0.00 0.00 175.35 174.81 2jba s PRO 106 N -0.76 4.48 0.29 -1.68 0.04 -1.26 -1.77 135.00 134.34 2jba s PRO 106 Ca 0.28 1.38 0.10 0.00 0.04 0.00 0.00 61.00 62.80 2jba s PRO 106 Cb -0.18 -2.73 -0.06 0.00 0.04 0.00 0.00 34.50 31.57 2jba s PRO 106 CO 0.17 0.17 -0.13 -0.59 0.04 0.00 0.00 177.00 176.66 2jba s PHE 107 N -1.63 2.18 0.47 0.56 -0.12 -1.22 -5.07 117.98 113.15 2jba s PHE 107 Ca 0.52 -0.49 -0.15 0.00 -0.05 0.00 0.00 56.93 56.76 2jba s PHE 107 Cb -0.19 -1.11 -0.08 0.00 -0.63 0.00 0.00 43.02 41.00 2jba s PHE 107 CO 0.25 0.54 0.91 -1.54 -0.05 0.00 0.00 175.22 175.34 2jba s SER 108 N -3.50 6.64 0.24 1.98 1.04 -1.26 -4.95 113.70 113.88 2jba s SER 108 Ca 0.30 1.45 -0.05 0.00 0.48 0.00 0.00 55.95 58.13 2jba s SER 108 Cb -0.00 -2.46 0.41 0.00 0.10 0.00 0.00 66.02 64.07 2jba s SER 108 CO 0.14 -0.49 1.73 -0.65 0.98 0.00 0.00 173.24 174.95 2jba h PRO 109 N 1.18 0.43 -0.79 4.02 0.11 -2.00 -2.20 132.00 132.75 2jba h PRO 109 Ca -0.47 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 2jba h PRO 109 Cb 1.18 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 2jba h PRO 109 CO 0.62 0.28 0.35 0.87 -0.21 0.00 0.00 178.00 179.91 2jba h LYS 110 N 0.44 1.16 -0.51 1.05 1.57 -2.00 -2.22 116.57 116.06 2jba h LYS 110 Ca 0.39 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.89 2jba h LYS 110 Cb 0.56 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2jba h LYS 110 CO -0.38 0.92 -0.04 1.49 -0.57 0.00 0.00 179.45 180.87 2jba h GLU 111 N 1.13 0.93 0.03 3.15 4.57 -1.82 -0.65 114.58 121.93 2jba h GLU 111 Ca 0.27 -0.32 0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2jba h GLU 111 Cb 0.17 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 2jba h GLU 111 CO -0.03 0.97 -0.14 1.25 -1.18 0.00 0.00 179.01 179.88 2jba h LEU 112 N 0.79 -0.41 -0.56 1.64 5.85 -1.27 -1.06 115.31 120.29 2jba h LEU 112 Ca 0.14 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 2jba h LEU 112 Cb 0.58 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 2jba h LEU 112 CO 0.03 -0.21 0.25 0.58 -0.34 0.00 0.00 178.44 178.76 2jba h VAL 113 N -0.26 1.21 -0.78 1.05 2.07 -1.26 -1.67 116.25 116.62 2jba h VAL 113 Ca 0.04 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 2jba h VAL 113 Cb 0.30 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2jba h VAL 113 CO -0.12 0.25 0.32 0.00 0.02 0.00 0.00 177.57 178.04 2jba h ALA 114 N 1.09 1.10 -0.46 1.67 0.00 -0.94 -0.79 119.26 120.93 2jba h ALA 114 Ca 0.19 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2jba h ALA 114 Cb 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2jba h ALA 114 CO -0.02 0.65 -0.09 -0.09 0.00 0.00 0.00 179.25 179.70 2jba h ARG 115 N 1.12 0.87 -0.37 0.00 9.65 -0.88 -1.12 114.38 123.66 2jba h ARG 115 Ca 0.26 -0.32 -0.03 0.00 -1.10 0.00 0.00 59.98 58.79 2jba h ARG 115 Cb 0.19 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 2jba h ARG 115 CO -0.02 0.96 0.12 0.82 2.80 0.00 0.00 179.97 184.65 2jba h ILE 116 N 0.71 1.21 -0.70 1.20 2.04 -1.06 -1.84 117.51 119.07 2jba h ILE 116 Ca 0.12 -0.67 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 2jba h ILE 116 Cb 0.62 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 2jba h ILE 116 CO 0.04 0.23 0.25 0.11 0.00 0.00 0.00 178.15 178.79 2jba h LYS 117 N 0.45 1.06 -0.60 2.37 1.57 -1.00 -0.77 116.57 119.65 2jba h LYS 117 Ca 0.12 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 2jba h LYS 117 Cb 0.24 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2jba h LYS 117 CO -0.01 0.88 0.15 0.00 -0.57 0.00 0.00 179.45 179.91 2jba h ALA 118 N 1.24 0.79 -0.53 3.86 0.00 -1.00 -2.29 119.26 121.32 2jba h ALA 118 Ca 0.23 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2jba h ALA 118 Cb 0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2jba h ALA 118 CO -0.01 0.49 0.00 0.28 0.00 0.00 0.00 179.25 180.01 2jba h VAL 119 N 0.86 1.26 -0.06 0.00 2.07 -0.97 -2.84 116.25 116.58 2jba h VAL 119 Ca 0.19 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.56 2jba h VAL 119 Cb 0.35 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2jba h VAL 119 CO 0.00 0.39 -0.18 0.24 0.02 0.00 0.00 177.57 178.04 2jba h MET 120 N 0.81 0.09 -0.01 1.57 2.07 -0.89 -2.38 114.93 116.19 2jba h MET 120 Ca 0.15 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.76 2jba h MET 120 Cb 0.53 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.24 2jba h MET 120 CO 0.03 0.28 -0.17 2.89 1.07 0.00 0.00 176.91 181.00 2jba n ARG 121 N -4.28 1.06 -2.04 1.72 1.85 -0.89 -4.94 116.66 109.15 2jba n ARG 121 Ca -0.02 -0.60 -0.41 0.00 -1.00 0.00 0.00 57.85 55.81 2jba n ARG 121 Cb 0.27 -1.49 -0.02 0.00 -1.05 0.00 0.00 32.46 30.17 2jba n ARG 121 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2jba s ARG 122 N -2.35 4.29 0.62 2.89 3.52 -0.90 -4.98 118.95 122.03 2jba s ARG 122 Ca 0.29 2.26 -0.17 0.00 -0.13 0.00 0.00 55.73 57.98 2jba s ARG 122 Cb 0.20 -3.12 -0.02 0.00 -1.56 0.00 0.00 34.95 30.44 2jba s ARG 122 CO 0.46 -0.39 1.15 0.42 -0.81 0.00 0.00 175.30 176.13 2jba s ILE 123 N 0.00 2.94 -0.03 4.11 1.01 -1.26 -4.98 121.20 122.99 2jba s ILE 123 Ca 0.59 0.52 -0.30 0.00 0.00 0.00 0.00 60.65 61.46 2jba s ILE 123 Cb -0.41 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 2jba s ILE 123 CO 0.43 -0.19 1.38 -0.55 0.00 0.00 0.00 174.94 176.00 2jba s SER 124 N -2.02 6.88 0.57 3.58 0.15 -1.26 -4.96 113.70 116.64 2jba s SER 124 Ca 0.72 2.03 -0.21 0.00 0.70 0.00 0.00 55.95 59.19 2jba s SER 124 Cb -0.25 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.46 2jba s SER 124 CO 0.35 -0.72 1.33 -2.16 1.20 0.00 0.00 173.24 173.24 2jba s PRO 125 N 2.65 3.02 0.00 5.44 0.04 -1.26 -5.34 135.00 139.55 2jba s PRO 125 Ca 0.62 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.82 2jba s PRO 125 Cb -0.29 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.09 2jba s PRO 125 CO 0.25 -1.26 0.00 -0.12 0.04 0.00 0.00 177.00 175.90