#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jra s MET 2 N 0.00 4.22 -0.13 0.03 0.00 -1.26 -5.00 119.30 117.17 2jra s MET 2 Ca 0.00 2.00 -0.06 0.00 0.00 0.00 0.00 55.69 57.63 2jra s MET 2 Cb 0.00 -3.81 -0.04 0.00 0.00 0.00 0.00 34.83 30.99 2jra s MET 2 CO 0.00 -0.73 0.08 0.95 0.00 0.00 0.00 175.02 175.31 2jra s THR 3 N 3.41 4.94 -0.29 3.16 -4.23 -1.26 -5.07 115.64 116.31 2jra s THR 3 Ca 0.66 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 61.16 2jra s THR 3 Cb -0.30 -3.15 0.12 0.00 1.34 0.00 0.00 72.50 70.51 2jra s THR 3 CO 0.25 0.57 0.24 0.00 -0.54 0.00 0.00 174.62 175.13 2jra s ALA 4 N -0.57 -0.06 -0.30 3.99 0.00 -1.26 -5.11 121.76 118.46 2jra s ALA 4 Ca 0.11 -0.63 -0.10 0.00 0.00 0.00 0.00 51.96 51.34 2jra s ALA 4 Cb -0.12 -1.66 0.16 0.00 0.00 0.00 0.00 23.12 21.50 2jra s ALA 4 CO 0.02 -1.71 0.82 -1.54 0.00 0.00 0.00 175.76 173.35 2jra s SER 5 N 2.22 -0.90 0.75 0.00 1.04 -1.26 -5.17 113.70 110.38 2jra s SER 5 Ca 0.10 0.98 -0.11 0.00 0.48 0.00 0.00 55.95 57.39 2jra s SER 5 Cb -0.15 1.92 0.04 0.00 0.10 0.00 0.00 66.02 67.93 2jra s SER 5 CO -0.33 -0.17 1.08 1.51 0.98 0.00 0.00 173.24 176.31 2jra s ASP 6 N 2.74 4.95 -0.09 7.02 -4.77 -1.26 -5.00 116.67 120.27 2jra s ASP 6 Ca 0.01 1.40 0.13 0.00 -3.30 0.00 0.00 52.55 50.79 2jra s ASP 6 Cb -0.10 -2.20 0.20 0.00 -1.09 0.00 0.00 42.92 39.72 2jra s ASP 6 CO -0.18 -1.69 1.09 -2.11 0.70 0.00 0.00 175.17 172.99 2jra n ARG 7 N -3.26 1.00 -2.19 2.11 1.85 -1.26 -5.08 116.66 109.82 2jra n ARG 7 Ca 0.07 -2.09 -0.35 0.00 -1.00 0.00 0.00 57.85 54.48 2jra n ARG 7 Cb 0.55 -1.20 0.01 0.00 -1.05 0.00 0.00 32.46 30.77 2jra n ARG 7 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2jra s LEU 8 N -2.01 3.74 0.00 2.89 1.43 -1.26 -5.02 118.68 118.45 2jra s LEU 8 Ca 0.22 2.24 0.00 0.00 -1.03 0.00 0.00 54.13 55.56 2jra s LEU 8 Cb 0.19 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.84 2jra s LEU 8 CO 0.02 -1.30 0.00 0.61 0.23 0.00 0.00 176.35 175.91 2jra n GLY 9 N 0.27 -1.52 3.82 -3.19 0.00 -1.26 -5.16 105.19 98.15 2jra n GLY 9 Ca 0.12 1.01 -0.33 0.00 0.00 0.00 0.00 46.02 46.82 2jra n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jra s ALA 10 N 0.00 2.96 -0.01 4.61 0.00 -1.26 -5.02 121.76 123.05 2jra s ALA 10 Ca 0.00 0.33 -0.30 0.00 0.00 0.00 0.00 51.96 51.99 2jra s ALA 10 Cb 0.00 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 2jra s ALA 10 CO 0.00 -0.30 1.07 0.16 0.00 0.00 0.00 175.76 176.69 2jra s ASP 11 N -2.67 7.23 -0.29 0.00 -4.77 -1.26 -4.95 116.67 109.96 2jra s ASP 11 Ca 0.62 1.75 -0.03 0.00 -3.30 0.00 0.00 52.55 51.58 2jra s ASP 11 Cb -0.12 -2.57 0.03 0.00 -1.09 0.00 0.00 42.92 39.17 2jra s ASP 11 CO 0.27 -0.39 2.69 -0.81 0.70 0.00 0.00 175.17 177.63 2jra n PRO 12 N 4.29 2.04 -2.03 2.11 -0.04 -1.26 -4.92 135.00 135.19 2jra n PRO 12 Ca 0.08 -1.66 -0.27 0.00 -0.04 0.00 0.00 63.50 61.60 2jra n PRO 12 Cb 0.49 -1.88 -0.05 0.00 -0.04 0.00 0.00 33.50 32.02 2jra n PRO 12 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2jra s THR 13 N -1.40 3.42 -0.47 0.52 -4.23 -1.26 -4.88 115.64 107.35 2jra s THR 13 Ca 0.48 -0.30 0.02 0.00 -1.18 0.00 0.00 61.69 60.71 2jra s THR 13 Cb 0.30 -3.96 0.12 0.00 1.34 0.00 0.00 72.50 70.30 2jra s THR 13 CO -0.10 -0.91 0.22 -1.10 -0.54 0.00 0.00 174.62 172.19 2jra s GLN 14 N 7.08 1.94 -0.08 3.99 -0.21 -1.26 -5.09 119.66 126.03 2jra s GLN 14 Ca 0.71 -2.27 -0.27 0.00 0.02 0.00 0.00 55.36 53.55 2jra s GLN 14 Cb -0.07 -3.40 -0.03 0.00 1.00 0.00 0.00 33.01 30.51 2jra s GLN 14 CO 0.02 -1.07 0.86 0.00 -2.12 0.00 0.00 175.29 172.98 2jra s ALA 15 N 0.31 3.34 -1.03 6.09 0.00 -1.26 -4.95 121.76 124.26 2jra s ALA 15 Ca 0.14 0.26 -0.24 0.00 0.00 0.00 0.00 51.96 52.12 2jra s ALA 15 Cb -0.22 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 19.62 2jra s ALA 15 CO -0.04 -0.35 1.94 0.00 0.00 0.00 0.00 175.76 177.31 2jra s ALA 16 N 1.38 1.72 0.18 0.00 0.00 -1.26 -4.93 121.76 118.85 2jra s ALA 16 Ca 0.43 -1.81 -0.31 0.00 0.00 0.00 0.00 51.96 50.28 2jra s ALA 16 Cb -0.18 -4.61 -0.10 0.00 0.00 0.00 0.00 23.12 18.22 2jra s ALA 16 CO 0.19 -5.02 1.53 -1.12 0.00 0.00 0.00 175.76 171.34 2jra s SER 17 N 7.33 6.62 -0.42 0.00 0.01 -1.26 -4.99 113.70 120.98 2jra s SER 17 Ca 0.69 2.61 0.00 0.00 1.31 0.00 0.00 55.95 60.56 2jra s SER 17 Cb -0.04 -2.60 0.11 0.00 0.21 0.00 0.00 66.02 63.71 2jra s SER 17 CO 0.06 -0.79 0.18 -0.44 0.41 0.00 0.00 173.24 172.66 2jra s SER 18 N 0.97 4.98 0.68 2.44 0.01 -1.26 -5.11 113.70 116.41 2jra s SER 18 Ca 0.67 -2.27 -0.13 0.00 1.31 0.00 0.00 55.95 55.53 2jra s SER 18 Cb -0.43 -1.74 0.01 0.00 0.21 0.00 0.00 66.02 64.07 2jra s SER 18 CO 0.34 -0.43 1.08 -2.16 0.41 0.00 0.00 173.24 172.48 2jra s PRO 19 N 0.77 2.79 0.00 12.44 0.04 -1.26 -5.04 135.00 144.74 2jra s PRO 19 Ca 0.11 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.36 2jra s PRO 19 Cb -0.21 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2jra s PRO 19 CO -0.05 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.16 2jra n GLY 20 N -1.07 2.54 0.00 0.56 0.00 -1.26 -5.03 105.19 100.93 2jra n GLY 20 Ca 0.09 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2jra n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jra n GLY 21 N 0.00 3.00 3.75 -0.02 0.00 -1.26 -5.08 105.19 105.58 2jra n GLY 21 Ca 0.00 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 2jra n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jra s ALA 22 N -0.88 3.50 0.11 4.61 0.00 -1.26 -5.12 121.76 122.73 2jra s ALA 22 Ca 0.00 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 2jra s ALA 22 Cb 0.00 -1.51 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 2jra s ALA 22 CO 0.00 0.68 0.14 -0.98 0.00 0.00 0.00 175.76 175.60 2jra s ARG 23 N -1.67 0.91 -0.38 0.00 1.70 -1.26 -5.13 118.95 113.12 2jra s ARG 23 Ca 0.22 -1.20 -0.05 0.00 -0.47 0.00 0.00 55.73 54.23 2jra s ARG 23 Cb -0.12 0.30 0.08 0.00 -0.57 0.00 0.00 34.95 34.64 2jra s ARG 23 CO 0.13 -0.28 0.17 0.00 -1.08 0.00 0.00 175.30 174.23 2jra s ALA 24 N -3.95 3.12 0.05 7.88 0.00 -1.26 -5.09 121.76 122.51 2jra s ALA 24 Ca 0.14 -2.15 -0.07 0.00 0.00 0.00 0.00 51.96 49.88 2jra s ALA 24 Cb 0.06 -2.38 -0.05 0.00 0.00 0.00 0.00 23.12 20.74 2jra s ALA 24 CO -0.04 -1.58 0.33 0.14 0.00 0.00 0.00 175.76 174.60 2jra s VAL 25 N 1.29 5.21 0.13 0.00 -7.23 -1.26 -5.10 120.40 113.45 2jra s VAL 25 Ca 0.02 0.22 0.02 0.00 -1.81 0.00 0.00 61.98 60.44 2jra s VAL 25 Cb -0.22 -3.60 -0.04 0.00 0.56 0.00 0.00 36.38 33.08 2jra s VAL 25 CO -0.01 0.28 0.25 -0.94 -0.31 0.00 0.00 175.10 174.37 2jra s SER 26 N -1.86 6.23 -0.08 4.85 1.04 -1.26 -5.11 113.70 117.51 2jra s SER 26 Ca 0.32 0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.92 2jra s SER 26 Cb -0.13 -1.85 0.01 0.00 0.10 0.00 0.00 66.02 64.14 2jra s SER 26 CO 0.18 0.08 -0.15 -0.63 0.98 0.00 0.00 173.24 173.71 2jra s ILE 27 N -1.69 1.35 -0.65 -1.02 1.09 -1.26 -4.78 121.20 114.25 2jra s ILE 27 Ca 0.34 -0.60 -0.12 0.00 -1.10 0.00 0.00 60.65 59.17 2jra s ILE 27 Cb -0.11 -1.22 0.17 0.00 -1.06 0.00 0.00 42.46 40.24 2jra s ILE 27 CO 0.28 0.40 0.57 0.68 -0.10 0.00 0.00 174.94 176.77 2jra s VAL 28 N 0.63 4.95 0.00 2.92 -7.23 -0.99 -4.82 120.40 115.86 2jra s VAL 28 Ca -0.15 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 57.87 2jra s VAL 28 Cb -0.16 -4.14 0.00 0.00 0.56 0.00 0.00 36.38 32.63 2jra s VAL 28 CO 0.04 -0.91 0.00 0.61 -0.31 0.00 0.00 175.10 174.53 2jra n GLY 29 N 4.43 1.46 2.68 2.32 0.00 -1.26 -2.84 105.19 111.98 2jra n GLY 29 Ca 0.01 0.21 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 2jra n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jra n ASN 30 N 3.10 -1.78 -3.73 1.61 6.94 -1.26 -5.13 115.26 115.00 2jra n ASN 30 Ca 0.00 -3.14 -0.12 0.00 -0.02 0.00 0.00 54.58 51.30 2jra n ASN 30 Cb 0.00 1.30 -0.07 0.00 -2.36 0.00 0.00 39.78 38.64 2jra n ASN 30 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 2jra s GLN 31 N -0.11 0.83 0.13 -3.83 0.74 -1.13 -5.18 119.66 111.11 2jra s GLN 31 Ca 0.23 -0.44 -0.24 0.00 0.05 0.00 0.00 55.36 54.96 2jra s GLN 31 Cb 0.34 0.36 0.07 0.00 1.10 0.00 0.00 33.01 34.89 2jra s GLN 31 CO -0.06 -0.27 0.70 -1.50 -0.55 0.00 0.00 175.29 173.61 2jra s ILE 32 N -2.42 0.00 -0.17 -2.34 2.07 -1.26 -2.36 121.20 114.72 2jra s ILE 32 Ca -0.06 -0.13 -0.07 0.00 -1.41 0.00 0.00 60.65 58.98 2jra s ILE 32 Cb -0.01 -1.14 -0.04 0.00 0.13 0.00 0.00 42.46 41.39 2jra s ILE 32 CO -0.02 0.00 0.06 -0.62 -1.91 0.00 0.00 174.94 172.45 2jra s ASP 33 N -2.71 5.65 0.44 4.50 -1.08 -1.26 -5.00 116.67 117.21 2jra s ASP 33 Ca 0.03 0.11 0.21 0.00 -0.52 0.00 0.00 52.55 52.38 2jra s ASP 33 Cb -0.02 -1.94 1.17 0.00 -1.46 0.00 0.00 42.92 40.68 2jra s ASP 33 CO -0.09 0.20 1.85 -1.28 0.52 0.00 0.00 175.17 176.37 2jra h SER 34 N 6.51 0.32 -0.55 -0.34 0.87 -2.01 -1.13 113.55 117.21 2jra h SER 34 Ca -0.39 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.20 2jra h SER 34 Cb 1.17 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 63.08 2jra h SER 34 CO 0.69 0.12 0.31 -0.09 -0.53 0.00 0.00 176.83 177.33 2jra h ARG 35 N 0.32 0.78 -0.63 2.24 1.12 -1.94 -1.78 114.38 114.49 2jra h ARG 35 Ca 0.48 -0.08 -0.01 0.00 -1.11 0.00 0.00 59.98 59.26 2jra h ARG 35 Cb 1.34 -0.16 -0.03 0.00 -0.01 0.00 0.00 29.97 31.11 2jra h ARG 35 CO -0.16 0.58 0.34 0.93 -3.11 0.00 0.00 179.97 178.55 2jra h GLU 36 N 0.79 0.87 0.01 0.20 4.39 -1.63 -1.80 114.58 117.41 2jra h GLU 36 Ca 0.20 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 2jra h GLU 36 Cb 0.02 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 2jra h GLU 36 CO -0.03 0.65 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.39 2jra h LEU 37 N 0.88 -0.01 -2.95 1.33 3.38 -1.48 -3.34 115.31 113.12 2jra h LEU 37 Ca 0.22 -0.76 -0.23 0.00 0.09 0.00 0.00 57.88 57.20 2jra h LEU 37 Cb 0.03 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.66 2jra h LEU 37 CO -0.04 0.85 0.29 0.49 0.09 0.00 0.00 178.44 180.13 2jra n PHE 38 N -4.67 1.30 1.44 1.13 3.72 -0.74 -4.39 117.46 115.25 2jra n PHE 38 Ca -0.08 -1.21 0.09 0.00 -0.05 0.00 0.00 57.45 56.20 2jra n PHE 38 Cb 0.37 -0.61 0.55 0.00 -0.94 0.00 0.00 39.48 38.85 2jra n PHE 38 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 2jra n THR 39 N -0.06 0.00 0.08 4.37 5.66 -0.69 -4.24 114.28 119.40 2jra n THR 39 Ca 0.25 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.25 2jra n THR 39 Cb 0.91 -0.54 0.00 0.00 -1.55 0.00 0.00 70.33 69.15 2jra n THR 39 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 2jra n VAL 40 N -0.90 0.00 -4.50 1.08 3.14 -1.26 -5.11 118.33 110.77 2jra n VAL 40 Ca 0.14 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.19 2jra n VAL 40 Cb 0.06 -0.33 -0.11 0.00 -1.06 0.00 0.00 33.84 32.41 2jra n VAL 40 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2jra s ASP 41 N -3.98 4.61 -0.11 6.55 -1.08 -1.26 -5.01 116.67 116.39 2jra s ASP 41 Ca 0.00 -0.12 0.05 0.00 -0.52 0.00 0.00 52.55 51.96 2jra s ASP 41 Cb 0.00 -1.09 0.35 0.00 -1.46 0.00 0.00 42.92 40.72 2jra s ASP 41 CO 0.00 0.30 1.08 0.54 0.52 0.00 0.00 175.17 177.61 2jra n ARG 42 N 1.70 2.55 -3.73 4.34 3.00 -1.26 -4.32 116.66 118.94 2jra n ARG 42 Ca -0.16 -1.35 -0.12 0.00 -0.01 0.00 0.00 57.85 56.21 2jra n ARG 42 Cb 0.53 -1.79 -0.10 0.00 0.00 0.00 0.00 32.46 31.09 2jra n ARG 42 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2jra s GLU 43 N -1.72 0.44 0.08 5.56 2.12 -1.26 -1.26 118.70 122.66 2jra s GLU 43 Ca 0.24 0.62 0.10 0.00 0.36 0.00 0.00 54.97 56.28 2jra s GLU 43 Cb 0.18 0.15 -0.03 0.00 0.26 0.00 0.00 34.13 34.69 2jra s GLU 43 CO 0.07 -0.09 -0.26 0.42 -0.54 0.00 0.00 175.26 174.86 2jra s ILE 44 N 0.55 2.13 -0.08 -3.70 -1.09 0.64 -4.96 121.20 114.70 2jra s ILE 44 Ca -0.03 -1.52 -0.03 0.00 -2.23 0.00 0.00 60.65 56.85 2jra s ILE 44 Cb -0.04 -1.85 -0.04 0.00 -1.58 0.00 0.00 42.46 38.95 2jra s ILE 44 CO -0.03 0.24 0.06 -0.69 -1.23 0.00 0.00 174.94 173.29 2jra s VAL 45 N -0.91 4.77 -0.20 2.92 1.01 -1.26 0.15 120.40 126.87 2jra s VAL 45 Ca 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 2jra s VAL 45 Cb -0.10 -3.07 0.06 0.00 0.00 0.00 0.00 36.38 33.27 2jra s VAL 45 CO 0.04 0.55 0.02 -0.63 0.00 0.00 0.00 175.10 175.08 2jra s ILE 46 N -1.00 0.70 0.03 2.22 1.01 0.78 -4.94 121.20 120.01 2jra s ILE 46 Ca 0.16 -0.67 -0.27 0.00 0.00 0.00 0.00 60.65 59.87 2jra s ILE 46 Cb -0.12 -1.16 -0.05 0.00 0.01 0.00 0.00 42.46 41.14 2jra s ILE 46 CO 0.05 -0.19 0.84 0.00 0.00 0.00 0.00 174.94 175.65 2jra s ALA 47 N 1.78 3.29 -0.28 9.38 0.00 -1.26 -0.65 121.76 134.02 2jra s ALA 47 Ca -0.02 0.37 -0.01 0.00 0.00 0.00 0.00 51.96 52.31 2jra s ALA 47 Cb -0.17 -3.12 0.13 0.00 0.00 0.00 0.00 23.12 19.96 2jra s ALA 47 CO -0.08 -0.04 0.29 -1.58 0.00 0.00 0.00 175.76 174.35 2jra s HIS 48 N 0.31 -0.46 0.00 0.00 5.04 -1.13 -4.99 115.29 114.07 2jra s HIS 48 Ca 0.43 -0.12 0.00 0.00 -1.54 0.00 0.00 55.06 53.83 2jra s HIS 48 Cb -0.21 -0.44 0.00 0.00 0.04 0.00 0.00 32.58 31.97 2jra s HIS 48 CO 0.25 -0.89 0.00 0.41 -2.34 0.00 0.00 174.74 172.16 2jra n GLY 49 N 5.31 1.41 0.00 1.59 0.00 -1.26 -3.42 105.19 108.82 2jra n GLY 49 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2jra n GLY 49 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jra n ASP 50 N 3.86 0.00 -5.01 1.61 8.00 -1.26 -5.13 116.55 118.62 2jra n ASP 50 Ca 0.00 -0.88 -0.18 0.00 0.71 0.00 0.00 54.79 54.44 2jra n ASP 50 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.13 2jra n ASP 50 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jra s ASP 51 N 0.00 5.39 -0.15 -2.24 2.15 -1.22 -5.11 116.67 115.49 2jra s ASP 51 Ca 0.00 -0.62 0.01 0.00 0.43 0.00 0.00 52.55 52.37 2jra s ASP 51 Cb 0.00 -0.28 0.02 0.00 -0.30 0.00 0.00 42.92 42.36 2jra s ASP 51 CO 0.00 -0.97 -0.17 -0.13 -0.17 0.00 0.00 175.17 173.73 2jra s ARG 52 N -4.45 2.51 0.32 4.34 1.81 -1.26 -2.84 118.95 119.38 2jra s ARG 52 Ca 0.56 -0.65 0.07 0.00 -1.72 0.00 0.00 55.73 54.00 2jra s ARG 52 Cb -0.08 -2.20 -0.02 0.00 -0.45 0.00 0.00 34.95 32.20 2jra s ARG 52 CO 0.35 -0.17 0.31 0.71 -0.68 0.00 0.00 175.30 175.82 2jra s TYR 53 N 1.26 2.98 -0.05 -0.53 1.51 0.17 -4.81 117.35 117.88 2jra s TYR 53 Ca 0.01 -0.26 -0.01 0.00 -1.01 0.00 0.00 57.07 55.80 2jra s TYR 53 Cb -0.14 -1.78 0.03 0.00 -0.11 0.00 0.00 41.96 39.96 2jra s TYR 53 CO -0.08 0.20 0.01 1.03 -1.11 0.00 0.00 175.55 175.59 2jra s ARG 54 N -4.01 0.43 -0.40 -0.62 0.52 0.16 -0.15 118.95 114.87 2jra s ARG 54 Ca 0.41 0.13 -0.17 0.00 -0.52 0.00 0.00 55.73 55.58 2jra s ARG 54 Cb -0.07 -0.75 0.01 0.00 0.52 0.00 0.00 34.95 34.66 2jra s ARG 54 CO 0.27 -0.25 0.42 -1.17 0.02 0.00 0.00 175.30 174.60 2jra s LEU 55 N 1.68 4.79 -0.12 2.53 2.96 0.12 -0.50 118.68 130.14 2jra s LEU 55 Ca -0.00 -0.59 -0.02 0.00 -0.22 0.00 0.00 54.13 53.30 2jra s LEU 55 Cb -0.13 -2.37 -0.03 0.00 0.50 0.00 0.00 46.19 44.16 2jra s LEU 55 CO -0.03 -0.53 -0.03 -0.60 -1.32 0.00 0.00 176.35 173.83 2jra s ARG 56 N 2.10 3.29 0.10 1.98 3.52 -0.06 -0.26 118.95 129.63 2jra s ARG 56 Ca 0.12 -0.49 0.04 0.00 -0.13 0.00 0.00 55.73 55.26 2jra s ARG 56 Cb -0.17 -2.82 -0.04 0.00 -1.56 0.00 0.00 34.95 30.36 2jra s ARG 56 CO 0.13 0.46 0.09 -1.17 -0.81 0.00 0.00 175.30 174.01 2jra s LEU 57 N -0.24 3.79 0.02 -0.88 2.96 -0.39 -0.53 118.68 123.42 2jra s LEU 57 Ca 0.04 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.94 2jra s LEU 57 Cb -0.13 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 2jra s LEU 57 CO 0.02 0.14 -0.05 0.42 -1.32 0.00 0.00 176.35 175.57 2jra s THR 58 N -1.49 3.76 0.00 3.68 -4.23 0.63 -4.81 115.64 113.18 2jra s THR 58 Ca 0.30 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.99 2jra s THR 58 Cb -0.12 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.05 2jra s THR 58 CO 0.22 0.33 0.00 -1.54 -0.54 0.00 0.00 174.62 173.09 2jra n SER 59 N 1.31 0.00 -0.63 3.99 3.41 -1.26 -0.49 113.62 119.95 2jra n SER 59 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 2jra n SER 59 Cb 0.52 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2jra n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jra n GLN 60 N 0.00 0.00 0.00 4.33 6.02 -1.26 -5.01 117.38 121.46 2jra n GLN 60 Ca 0.00 -0.85 0.00 0.00 -0.01 0.00 0.00 57.00 56.14 2jra n GLN 60 Cb 0.00 -0.27 0.00 0.00 1.02 0.00 0.00 30.24 30.99 2jra n GLN 60 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2jra n ASN 61 N 0.05 0.00 -3.65 1.08 4.05 0.35 -5.07 115.26 112.07 2jra n ASN 61 Ca -0.01 0.30 -0.12 0.00 0.45 0.00 0.00 54.58 55.20 2jra n ASN 61 Cb 0.70 -0.41 -0.05 0.00 1.23 0.00 0.00 39.78 41.24 2jra n ASN 61 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 177.26 172.62 2jra s LYS 62 N -0.82 1.69 0.15 1.20 -2.85 -1.25 -4.98 119.74 112.88 2jra s LYS 62 Ca 0.00 -1.54 0.06 0.00 -1.00 0.00 0.00 55.97 53.49 2jra s LYS 62 Cb 0.00 0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 2jra s LYS 62 CO 0.00 -0.69 -0.13 -0.48 0.10 0.00 0.00 175.35 174.15 2jra s LEU 63 N -3.14 2.49 0.28 2.77 2.34 -1.26 -0.27 118.68 121.88 2jra s LEU 63 Ca 0.28 -0.94 -0.12 0.00 0.06 0.00 0.00 54.13 53.41 2jra s LEU 63 Cb 0.00 -0.52 0.00 0.00 -0.56 0.00 0.00 46.19 45.11 2jra s LEU 63 CO 0.15 -0.21 0.53 0.27 -1.06 0.00 0.00 176.35 176.03 2jra s ILE 64 N -2.76 0.00 0.06 1.48 -5.25 0.31 -5.00 121.20 110.04 2jra s ILE 64 Ca 0.15 -1.36 0.02 0.00 -0.99 0.00 0.00 60.65 58.47 2jra s ILE 64 Cb -0.01 -2.30 -0.04 0.00 2.95 0.00 0.00 42.46 43.06 2jra s ILE 64 CO 0.03 0.00 0.08 -0.22 -1.79 0.00 0.00 174.94 173.05 2jra s LEU 65 N -3.04 3.85 0.20 0.37 1.98 -1.26 -0.88 118.68 119.89 2jra s LEU 65 Ca 0.22 0.04 -0.24 0.00 -2.89 0.00 0.00 54.13 51.26 2jra s LEU 65 Cb -0.02 -2.45 0.05 0.00 0.66 0.00 0.00 46.19 44.43 2jra s LEU 65 CO 0.11 0.20 0.88 0.28 -1.89 0.00 0.00 176.35 175.92 2jra s THR 66 N -1.35 0.00 0.00 3.68 -1.32 0.35 -4.92 115.64 112.08 2jra s THR 66 Ca 0.28 -0.78 0.00 0.00 -1.21 0.00 0.00 61.69 59.98 2jra s THR 66 Cb -0.12 -2.01 0.00 0.00 -1.51 0.00 0.00 72.50 68.86 2jra s THR 66 CO 0.20 0.00 0.00 2.29 -2.21 0.00 0.00 174.62 174.90