#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jra n MET 2 N 0.00 -0.69 -2.13 2.12 2.00 -1.26 -4.65 117.12 112.51 2jra n MET 2 Ca 0.00 0.45 -0.42 0.00 0.00 0.00 0.00 57.70 57.73 2jra n MET 2 Cb 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 33.22 32.35 2jra n MET 2 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 2jra s THR 3 N -0.54 3.55 0.34 2.03 -1.32 -1.26 -4.72 115.64 113.72 2jra s THR 3 Ca 0.00 0.92 0.00 0.00 -1.21 0.00 0.00 61.69 61.40 2jra s THR 3 Cb 0.00 -3.59 0.00 0.00 -1.51 0.00 0.00 72.50 67.40 2jra s THR 3 CO 0.00 -0.01 0.00 0.00 -2.21 0.00 0.00 174.62 172.40 2jra n ALA 4 N 5.67 0.99 0.06 11.08 0.00 -1.26 -4.91 120.51 132.13 2jra n ALA 4 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 2jra n ALA 4 Cb 0.43 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.91 2jra n ALA 4 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jra h SER 5 N 0.00 0.44 -1.59 0.00 4.64 -1.96 -3.40 113.55 111.69 2jra h SER 5 Ca 0.00 -0.29 -0.42 0.00 -0.47 0.00 0.00 61.79 60.60 2jra h SER 5 Cb 0.00 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 2jra h SER 5 CO 0.00 1.03 1.24 -0.62 -0.87 0.00 0.00 176.83 177.61 2jra s ASP 6 N -6.96 4.94 -0.09 4.97 2.15 -1.26 -4.86 116.67 115.55 2jra s ASP 6 Ca -0.05 0.36 -0.30 0.00 0.43 0.00 0.00 52.55 52.98 2jra s ASP 6 Cb 0.11 -2.53 0.12 0.00 -0.30 0.00 0.00 42.92 40.31 2jra s ASP 6 CO 0.83 -2.67 0.96 0.00 -0.17 0.00 0.00 175.17 174.12 2jra s ARG 7 N 7.48 0.68 -1.28 4.34 1.70 -1.26 -4.98 118.95 125.64 2jra s ARG 7 Ca 0.77 -0.07 -0.19 0.00 -0.47 0.00 0.00 55.73 55.77 2jra s ARG 7 Cb -0.13 0.32 0.03 0.00 -0.57 0.00 0.00 34.95 34.60 2jra s ARG 7 CO 0.18 -0.26 1.84 1.28 -1.08 0.00 0.00 175.30 177.26 2jra n LEU 8 N 0.24 4.76 -0.32 -1.89 4.77 -1.26 -4.70 117.00 118.60 2jra n LEU 8 Ca -0.09 -3.76 -0.04 0.00 -0.03 0.00 0.00 56.01 52.10 2jra n LEU 8 Cb 0.60 -1.71 0.10 0.00 -2.33 0.00 0.00 43.42 40.07 2jra n LEU 8 CO 0.13 -0.16 1.16 1.23 -1.33 0.00 0.00 177.39 178.43 2jra h GLY 9 N 13.36 1.31 -6.29 -0.72 0.00 -1.97 -3.40 103.07 105.35 2jra h GLY 9 Ca 0.42 -0.60 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 2jra h GLY 9 CO 1.48 0.58 -0.45 0.00 0.00 0.00 0.00 176.54 178.16 2jra s ALA 10 N -5.79 -1.45 0.24 3.60 0.00 -1.26 -5.14 121.76 111.96 2jra s ALA 10 Ca -0.12 0.93 -0.31 0.00 0.00 0.00 0.00 51.96 52.45 2jra s ALA 10 Cb 0.17 -1.95 -0.13 0.00 0.00 0.00 0.00 23.12 21.21 2jra s ALA 10 CO 0.83 -1.45 1.50 -3.47 0.00 0.00 0.00 175.76 173.17 2jra n ASP 11 N 5.38 3.18 -0.28 0.00 -0.08 -1.26 -4.86 116.55 118.63 2jra n ASP 11 Ca -0.01 1.13 0.23 0.00 -1.51 0.00 0.00 54.79 54.63 2jra n ASP 11 Cb 0.50 -1.48 0.55 0.00 2.34 0.00 0.00 41.12 43.03 2jra n ASP 11 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2jra h PRO 12 N 4.74 0.32 -0.19 -0.67 0.13 -2.01 -0.00 132.00 134.32 2jra h PRO 12 Ca -0.45 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2jra h PRO 12 Cb 1.25 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2jra h PRO 12 CO 0.80 0.21 0.00 -2.37 -0.23 0.00 0.00 178.00 176.41 2jra n THR 13 N -4.51 1.82 -1.97 1.56 5.66 -1.26 -4.94 114.28 110.64 2jra n THR 13 Ca 0.22 -1.71 -0.27 0.00 -3.05 0.00 0.00 64.05 59.24 2jra n THR 13 Cb 0.85 -0.03 -0.05 0.00 -1.55 0.00 0.00 70.33 69.55 2jra n THR 13 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2jra s GLN 14 N -2.30 2.42 -0.24 1.09 0.74 -0.02 -4.57 119.66 116.79 2jra s GLN 14 Ca 0.32 0.03 0.18 0.00 0.05 0.00 0.00 55.36 55.94 2jra s GLN 14 Cb 0.25 -4.89 0.43 0.00 1.10 0.00 0.00 33.01 29.90 2jra s GLN 14 CO 0.08 -3.40 1.26 0.00 -0.55 0.00 0.00 175.29 172.68 2jra n ALA 15 N 14.45 2.76 -1.60 1.58 0.00 -1.26 -4.92 120.51 131.53 2jra n ALA 15 Ca 0.37 -1.93 -0.59 0.00 0.00 0.00 0.00 53.44 51.29 2jra n ALA 15 Cb 0.48 -0.80 -0.08 0.00 0.00 0.00 0.00 19.45 19.04 2jra n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jra n ALA 16 N -0.79 -0.10 -3.81 0.00 0.00 -1.26 -4.94 120.51 109.61 2jra n ALA 16 Ca -0.05 0.29 -0.25 0.00 0.00 0.00 0.00 53.44 53.44 2jra n ALA 16 Cb 0.86 -2.20 -0.17 0.00 0.00 0.00 0.00 19.45 17.93 2jra n ALA 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jra s SER 17 N 4.55 1.99 -0.48 0.00 0.15 -1.26 -5.07 113.70 113.59 2jra s SER 17 Ca 1.05 -0.27 0.04 0.00 0.70 0.00 0.00 55.95 57.48 2jra s SER 17 Cb -1.18 -0.60 0.17 0.00 -1.71 0.00 0.00 66.02 62.70 2jra s SER 17 CO 0.66 -0.19 0.38 -1.20 1.20 0.00 0.00 173.24 174.10 2jra n SER 18 N 5.06 0.34 -2.43 5.45 7.64 -1.26 -5.13 113.62 123.30 2jra n SER 18 Ca -0.09 -2.58 0.00 0.00 1.01 0.00 0.00 58.87 57.21 2jra n SER 18 Cb 0.50 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 2jra n SER 18 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2jra n PRO 19 N 2.58 1.14 -0.54 1.43 -0.04 -1.26 -4.80 135.00 133.51 2jra n PRO 19 Ca 0.28 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2jra n PRO 19 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 2jra n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jra n GLY 20 N 5.00 1.02 0.04 0.55 0.00 -1.26 -5.02 105.19 105.52 2jra n GLY 20 Ca 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.80 -0.65 3.87 -0.02 0.00 -1.26 -4.99 105.19 100.35 2jra n GLY 21 Ca 0.00 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.90 3.87 0.04 4.61 0.00 -1.26 -5.11 121.76 121.00 2jra s ALA 22 Ca -0.11 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 2jra s ALA 22 Cb 0.01 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 2jra s ALA 22 CO 0.16 0.71 -0.01 -0.98 0.00 0.00 0.00 175.76 175.63 2jra s ARG 23 N -1.70 0.49 -0.20 0.00 1.70 -1.26 -5.15 118.95 112.83 2jra s ARG 23 Ca 0.24 -0.92 -0.07 0.00 -0.47 0.00 0.00 55.73 54.51 2jra s ARG 23 Cb -0.12 0.17 -0.04 0.00 -0.57 0.00 0.00 34.95 34.39 2jra s ARG 23 CO 0.15 -0.09 0.07 0.00 -1.08 0.00 0.00 175.30 174.34 2jra s ALA 24 N -2.77 3.35 -0.04 7.88 0.00 -1.26 -5.10 121.76 123.83 2jra s ALA 24 Ca -0.04 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.14 2jra s ALA 24 Cb -0.00 -1.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.13 2jra s ALA 24 CO -0.06 0.02 -0.21 0.14 0.00 0.00 0.00 175.76 175.64 2jra s VAL 25 N 0.68 2.43 0.23 0.00 -7.23 -1.26 -5.11 120.40 110.14 2jra s VAL 25 Ca 0.03 -0.96 -0.03 0.00 -1.81 0.00 0.00 61.98 59.22 2jra s VAL 25 Cb -0.13 -1.89 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 2jra s VAL 25 CO 0.02 0.58 0.45 -0.44 -0.31 0.00 0.00 175.10 175.40 2jra s SER 26 N -0.60 6.42 -0.17 4.85 0.01 -1.26 -5.09 113.70 117.85 2jra s SER 26 Ca 0.09 0.53 0.01 0.00 1.31 0.00 0.00 55.95 57.89 2jra s SER 26 Cb -0.11 -2.06 0.02 0.00 0.21 0.00 0.00 66.02 64.08 2jra s SER 26 CO 0.00 -0.09 -0.19 -0.63 0.41 0.00 0.00 173.24 172.74 2jra s ILE 27 N -1.93 1.99 -0.50 1.44 -1.09 -1.26 -4.71 121.20 115.14 2jra s ILE 27 Ca 0.41 -0.90 -0.11 0.00 -2.23 0.00 0.00 60.65 57.81 2jra s ILE 27 Cb -0.11 -1.80 0.12 0.00 -1.58 0.00 0.00 42.46 39.09 2jra s ILE 27 CO 0.29 0.53 0.40 0.68 -1.23 0.00 0.00 174.94 175.61 2jra s VAL 28 N 1.28 4.54 0.00 2.92 -7.23 -0.43 -4.73 120.40 116.76 2jra s VAL 28 Ca 0.04 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 2jra s VAL 28 Cb -0.13 -3.96 0.00 0.00 0.56 0.00 0.00 36.38 32.85 2jra s VAL 28 CO -0.12 -0.81 0.00 0.61 -0.31 0.00 0.00 175.10 174.47 2jra n GLY 29 N 4.99 2.08 0.34 2.32 0.00 -1.26 -1.71 105.19 111.95 2jra n GLY 29 Ca -0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 3.87 -0.01 -4.42 1.61 6.94 -1.26 -5.14 115.26 116.84 2jra n ASN 30 Ca 0.00 -0.67 -0.33 0.00 -0.02 0.00 0.00 54.58 53.56 2jra n ASN 30 Cb 0.00 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.29 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 0.00 2.97 0.07 -3.83 0.74 -0.69 -5.10 119.66 113.82 2jra s GLN 31 Ca 0.00 -0.69 0.03 0.00 0.05 0.00 0.00 55.36 54.75 2jra s GLN 31 Cb 0.00 -2.52 -0.03 0.00 1.10 0.00 0.00 33.01 31.56 2jra s GLN 31 CO 0.00 0.41 -0.09 -1.50 -0.55 0.00 0.00 175.29 173.56 2jra s ILE 32 N -0.17 0.74 0.08 -2.34 2.07 -1.26 -1.31 121.20 119.01 2jra s ILE 32 Ca -0.00 -1.43 -0.01 0.00 -1.41 0.00 0.00 60.65 57.80 2jra s ILE 32 Cb -0.13 -1.08 -0.04 0.00 0.13 0.00 0.00 42.46 41.33 2jra s ILE 32 CO 0.03 -0.51 0.25 -0.62 -1.91 0.00 0.00 174.94 172.18 2jra s ASP 33 N -2.13 6.39 0.55 4.50 -1.08 -1.26 -4.99 116.67 118.65 2jra s ASP 33 Ca -0.01 0.35 0.31 0.00 -0.52 0.00 0.00 52.55 52.69 2jra s ASP 33 Cb -0.05 -1.99 1.56 0.00 -1.46 0.00 0.00 42.92 40.98 2jra s ASP 33 CO -0.00 0.14 2.09 0.77 0.52 0.00 0.00 175.17 178.69 2jra h SER 34 N 3.02 0.00 -0.44 -0.34 4.64 -2.01 -2.82 113.55 115.59 2jra h SER 34 Ca -0.45 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.84 2jra h SER 34 Cb 1.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 2jra h SER 34 CO 0.75 0.08 0.15 0.03 -0.87 0.00 0.00 176.83 176.98 2jra h ARG 35 N 0.00 0.67 -0.63 4.77 2.47 -1.94 -0.72 114.38 118.99 2jra h ARG 35 Ca -0.00 -0.14 0.03 0.00 -1.26 0.00 0.00 59.98 58.61 2jra h ARG 35 Cb 0.34 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.52 2jra h ARG 35 CO 0.01 0.64 0.40 0.93 0.56 0.00 0.00 179.97 182.51 2jra h GLU 36 N 0.56 0.76 -0.02 0.04 4.39 -1.92 0.54 114.58 118.93 2jra h GLU 36 Ca 0.14 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.70 2jra h GLU 36 Cb 0.24 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2jra h GLU 36 CO -0.01 0.50 -0.38 -0.07 -1.16 0.00 0.00 179.01 177.89 2jra h LEU 37 N 0.78 0.38 -3.32 1.33 3.38 -1.62 -3.35 115.31 112.88 2jra h LEU 37 Ca 0.25 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2jra h LEU 37 Cb 0.01 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2jra h LEU 37 CO -0.10 1.05 0.00 0.49 0.09 0.00 0.00 178.44 179.98 2jra n PHE 38 N -4.39 1.32 -0.22 1.13 3.72 -0.29 -4.52 117.46 114.20 2jra n PHE 38 Ca -0.09 -0.78 -0.03 0.00 -0.05 0.00 0.00 57.45 56.50 2jra n PHE 38 Cb 0.56 -0.35 0.08 0.00 -0.94 0.00 0.00 39.48 38.83 2jra n PHE 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jra h THR 39 N 2.72 1.02 -2.06 4.37 1.03 -0.05 -3.25 112.91 116.68 2jra h THR 39 Ca 0.00 -0.24 -0.54 0.00 -0.01 0.00 0.00 66.41 65.62 2jra h THR 39 Cb 1.56 0.24 -0.40 0.00 -1.07 0.00 0.00 68.15 68.49 2jra h THR 39 CO 0.29 0.13 -1.01 0.52 -0.01 0.00 0.00 175.52 175.44 2jra n VAL 40 N -4.76 0.39 0.00 0.00 0.31 -1.26 -5.06 118.33 107.95 2jra n VAL 40 Ca 0.07 -4.59 0.00 0.00 -0.01 0.00 0.00 64.34 59.81 2jra n VAL 40 Cb 0.13 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 2jra n VAL 40 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2jra n ASP 41 N 0.71 0.00 0.00 4.52 -0.08 -1.23 -5.06 116.55 115.41 2jra n ASP 41 Ca 0.25 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.53 2jra n ASP 41 Cb 0.54 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.00 2jra n ASP 41 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2jra n ARG 42 N -0.37 0.00 -3.76 -0.67 0.63 -1.26 -4.55 116.66 106.67 2jra n ARG 42 Ca 0.00 -0.02 -0.13 0.00 -0.92 0.00 0.00 57.85 56.79 2jra n ARG 42 Cb 0.00 -0.50 -0.12 0.00 0.45 0.00 0.00 32.46 32.29 2jra n ARG 42 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2jra s GLU 43 N 0.00 0.25 -0.04 -0.14 2.12 -1.26 -1.31 118.70 118.32 2jra s GLU 43 Ca 0.00 0.43 0.06 0.00 0.36 0.00 0.00 54.97 55.82 2jra s GLU 43 Cb 0.00 0.02 -0.01 0.00 0.26 0.00 0.00 34.13 34.40 2jra s GLU 43 CO 0.00 -0.09 -0.24 0.42 -0.54 0.00 0.00 175.26 174.80 2jra s ILE 44 N 0.65 1.96 -0.42 -3.70 -1.09 0.36 -4.98 121.20 113.98 2jra s ILE 44 Ca -0.04 -1.03 -0.13 0.00 -2.23 0.00 0.00 60.65 57.21 2jra s ILE 44 Cb -0.06 -1.65 0.04 0.00 -1.58 0.00 0.00 42.46 39.22 2jra s ILE 44 CO -0.04 0.55 0.29 -0.69 -1.23 0.00 0.00 174.94 173.82 2jra s VAL 45 N -0.28 4.90 -0.53 2.92 1.01 -1.26 0.18 120.40 127.33 2jra s VAL 45 Ca 0.01 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 60.83 2jra s VAL 45 Cb -0.12 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.48 2jra s VAL 45 CO 0.02 -0.39 0.83 -0.63 0.00 0.00 0.00 175.10 174.93 2jra s ILE 46 N 1.60 4.56 0.12 2.22 1.01 0.22 -4.89 121.20 126.04 2jra s ILE 46 Ca 0.03 0.05 -0.21 0.00 0.00 0.00 0.00 60.65 60.53 2jra s ILE 46 Cb -0.21 -4.45 -0.07 0.00 0.01 0.00 0.00 42.46 37.74 2jra s ILE 46 CO 0.07 -0.99 0.64 0.00 0.00 0.00 0.00 174.94 174.67 2jra s ALA 47 N 3.49 3.53 -0.29 9.38 0.00 -1.26 0.03 121.76 136.63 2jra s ALA 47 Ca 0.26 0.12 -0.00 0.00 0.00 0.00 0.00 51.96 52.34 2jra s ALA 47 Cb -0.15 -2.73 0.14 0.00 0.00 0.00 0.00 23.12 20.38 2jra s ALA 47 CO 0.17 0.37 0.30 -1.58 0.00 0.00 0.00 175.76 175.02 2jra s HIS 48 N -1.20 -0.47 0.00 0.00 5.04 -0.24 -4.95 115.29 113.46 2jra s HIS 48 Ca 0.33 -0.20 0.00 0.00 -1.54 0.00 0.00 55.06 53.66 2jra s HIS 48 Cb -0.20 -0.45 0.00 0.00 0.04 0.00 0.00 32.58 31.97 2jra s HIS 48 CO 0.21 -0.93 0.00 0.41 -2.34 0.00 0.00 174.74 172.09 2jra n GLY 49 N 5.25 1.68 0.00 1.59 0.00 -1.26 -2.65 105.19 109.81 2jra n GLY 49 Ca -0.01 -0.33 0.02 0.00 0.00 0.00 0.00 46.02 45.70 2jra n GLY 49 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jra n ASP 50 N 7.26 2.89 -4.88 1.61 2.03 -1.26 -5.04 116.55 119.17 2jra n ASP 50 Ca 0.00 -0.17 -0.30 0.00 0.52 0.00 0.00 54.79 54.84 2jra n ASP 50 Cb 0.00 1.14 -0.03 0.00 -0.72 0.00 0.00 41.12 41.52 2jra n ASP 50 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jra s ASP 51 N -2.19 6.48 -0.06 1.67 2.15 -1.08 -5.09 116.67 118.55 2jra s ASP 51 Ca -0.01 1.12 0.01 0.00 0.43 0.00 0.00 52.55 54.10 2jra s ASP 51 Cb 0.03 -2.32 0.02 0.00 -0.30 0.00 0.00 42.92 40.35 2jra s ASP 51 CO 0.18 -0.44 -0.06 -0.13 -0.17 0.00 0.00 175.17 174.55 2jra s ARG 52 N -4.00 1.10 0.28 4.34 0.52 -1.26 -1.08 118.95 118.84 2jra s ARG 52 Ca 0.51 -0.18 0.08 0.00 -0.52 0.00 0.00 55.73 55.62 2jra s ARG 52 Cb -0.10 -1.07 -0.04 0.00 0.52 0.00 0.00 34.95 34.26 2jra s ARG 52 CO 0.34 -0.09 0.18 0.71 0.02 0.00 0.00 175.30 176.45 2jra s TYR 53 N 1.03 2.97 -0.21 -0.53 1.51 0.10 -4.74 117.35 117.48 2jra s TYR 53 Ca -0.09 -0.19 -0.01 0.00 -1.01 0.00 0.00 57.07 55.78 2jra s TYR 53 Cb -0.14 -1.47 0.06 0.00 -0.11 0.00 0.00 41.96 40.30 2jra s TYR 53 CO -0.00 0.45 -0.02 1.03 -1.11 0.00 0.00 175.55 175.90 2jra s ARG 54 N -3.85 1.23 -0.53 -0.62 0.52 0.16 -0.61 118.95 115.25 2jra s ARG 54 Ca 0.35 -0.71 -0.24 0.00 -0.52 0.00 0.00 55.73 54.61 2jra s ARG 54 Cb -0.07 -2.33 0.04 0.00 0.52 0.00 0.00 34.95 33.11 2jra s ARG 54 CO 0.24 -0.59 0.91 -1.17 0.02 0.00 0.00 175.30 174.71 2jra s LEU 55 N 1.60 4.16 -0.07 2.53 2.96 0.13 -1.24 118.68 128.75 2jra s LEU 55 Ca -0.03 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 2jra s LEU 55 Cb -0.18 -2.85 -0.02 0.00 0.50 0.00 0.00 46.19 43.64 2jra s LEU 55 CO -0.07 -1.16 -0.13 -0.60 -1.32 0.00 0.00 176.35 173.06 2jra s ARG 56 N 3.80 2.75 -0.16 1.98 3.52 -0.57 -0.49 118.95 129.78 2jra s ARG 56 Ca 0.30 -0.68 -0.07 0.00 -0.13 0.00 0.00 55.73 55.15 2jra s ARG 56 Cb -0.13 -2.46 -0.04 0.00 -1.56 0.00 0.00 34.95 30.76 2jra s ARG 56 CO 0.20 0.53 0.08 -1.17 -0.81 0.00 0.00 175.30 174.13 2jra s LEU 57 N -0.47 3.99 0.50 -0.88 2.96 -0.42 -1.44 118.68 122.91 2jra s LEU 57 Ca 0.06 0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 54.15 2jra s LEU 57 Cb -0.12 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 2jra s LEU 57 CO 0.02 0.26 0.76 0.42 -1.32 0.00 0.00 176.35 176.49 2jra s THR 58 N -0.13 4.13 -0.73 3.68 -4.23 0.26 -4.91 115.64 113.71 2jra s THR 58 Ca 0.08 -0.20 -0.25 0.00 -1.18 0.00 0.00 61.69 60.14 2jra s THR 58 Cb -0.12 -3.57 -0.13 0.00 1.34 0.00 0.00 72.50 70.02 2jra s THR 58 CO 0.01 -0.49 2.41 -1.20 -0.54 0.00 0.00 174.62 174.81 2jra n SER 59 N -2.26 1.80 0.00 3.99 7.64 -1.26 -3.80 113.62 119.73 2jra n SER 59 Ca 0.02 -1.21 0.00 0.00 1.01 0.00 0.00 58.87 58.69 2jra n SER 59 Cb 0.57 -1.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 2jra n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jra n GLN 60 N 8.74 0.00 0.00 1.43 6.02 -1.26 -4.75 117.38 127.56 2jra n GLN 60 Ca 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 2jra n GLN 60 Cb 0.44 -0.15 0.00 0.00 1.02 0.00 0.00 30.24 31.56 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 1.41 0.00 -0.53 1.08 4.05 -1.25 -4.99 115.26 115.04 2jra n ASN 61 Ca 0.00 0.72 0.00 0.00 0.45 0.00 0.00 54.58 55.75 2jra n ASN 61 Cb 0.00 -0.22 0.00 0.00 1.23 0.00 0.00 39.78 40.79 2jra n ASN 61 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 2jra n LYS 62 N -1.32 0.00 -4.11 1.20 -0.00 -1.26 -5.03 118.16 107.64 2jra n LYS 62 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.22 2jra n LYS 62 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 34.93 2jra n LYS 62 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 2jra s LEU 63 N 0.00 1.73 0.22 -5.58 2.34 -1.26 -0.58 118.68 115.55 2jra s LEU 63 Ca 0.00 -1.14 -0.08 0.00 0.06 0.00 0.00 54.13 52.97 2jra s LEU 63 Cb 0.00 0.41 -0.02 0.00 -0.56 0.00 0.00 46.19 46.03 2jra s LEU 63 CO 0.00 -0.74 0.33 0.27 -1.06 0.00 0.00 176.35 175.15 2jra s ILE 64 N -4.02 0.00 -0.21 1.48 -5.25 -0.52 -4.98 121.20 107.70 2jra s ILE 64 Ca 0.21 -1.64 0.01 0.00 -0.99 0.00 0.00 60.65 58.24 2jra s ILE 64 Cb 0.07 -2.30 0.04 0.00 2.95 0.00 0.00 42.46 43.22 2jra s ILE 64 CO 0.00 -0.02 -0.12 -0.22 -1.79 0.00 0.00 174.94 172.80 2jra s LEU 65 N -3.07 2.48 0.04 0.37 2.96 -1.26 -1.51 118.68 118.70 2jra s LEU 65 Ca 0.29 -0.96 -0.00 0.00 -0.22 0.00 0.00 54.13 53.24 2jra s LEU 65 Cb 0.03 -1.32 -0.03 0.00 0.50 0.00 0.00 46.19 45.36 2jra s LEU 65 CO 0.10 -0.14 -0.03 0.28 -1.32 0.00 0.00 176.35 175.24 2jra s THR 66 N 1.33 0.23 0.00 3.68 -1.32 -0.37 -4.95 115.64 114.24 2jra s THR 66 Ca -0.02 -1.54 0.00 0.00 -1.21 0.00 0.00 61.69 58.92 2jra s THR 66 Cb -0.17 -1.14 0.00 0.00 -1.51 0.00 0.00 72.50 69.69 2jra s THR 66 CO -0.08 -0.83 0.00 2.29 -2.21 0.00 0.00 174.62 173.79