#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 1.16 -1.19 2.12 0.00 -1.26 -5.07 119.30 115.06 2jra s MET 2 Ca 0.00 -0.95 -0.22 0.00 0.00 0.00 0.00 55.69 54.52 2jra s MET 2 Cb 0.00 0.44 -0.06 0.00 0.00 0.00 0.00 34.83 35.20 2jra s MET 2 CO 0.00 -0.45 1.90 0.99 0.00 0.00 0.00 175.02 177.46 2jra s THR 3 N -3.89 3.63 -0.30 3.16 2.01 -1.26 -4.66 115.64 114.34 2jra s THR 3 Ca 0.10 -1.05 -0.08 0.00 0.31 0.00 0.00 61.69 60.97 2jra s THR 3 Cb 0.02 -4.65 0.19 0.00 0.01 0.00 0.00 72.50 68.06 2jra s THR 3 CO -0.05 -1.15 0.95 0.00 -0.69 0.00 0.00 174.62 173.68 2jra s ALA 4 N 9.95 -3.73 -1.09 7.40 0.00 -1.26 -5.06 121.76 127.96 2jra s ALA 4 Ca 0.66 1.29 -0.21 0.00 0.00 0.00 0.00 51.96 53.70 2jra s ALA 4 Cb -0.00 -2.79 -0.07 0.00 0.00 0.00 0.00 23.12 20.26 2jra s ALA 4 CO 0.12 -2.06 1.94 -1.13 0.00 0.00 0.00 175.76 174.62 2jra n SER 5 N 5.11 3.26 -4.74 0.00 3.41 -1.26 -4.92 113.62 114.48 2jra n SER 5 Ca 0.09 -2.74 -0.40 0.00 -0.26 0.00 0.00 58.87 55.56 2jra n SER 5 Cb 0.57 -1.50 -0.05 0.00 -0.26 0.00 0.00 64.21 62.97 2jra n SER 5 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jra s ASP 6 N 5.19 7.11 -0.34 4.04 -1.08 -1.26 -5.04 116.67 125.28 2jra s ASP 6 Ca 0.60 1.32 -0.00 0.00 -0.52 0.00 0.00 52.55 53.95 2jra s ASP 6 Cb 0.07 -2.43 0.14 0.00 -1.46 0.00 0.00 42.92 39.24 2jra s ASP 6 CO 0.09 0.01 0.23 -0.60 0.52 0.00 0.00 175.17 175.43 2jra s ARG 7 N 0.09 0.50 0.70 4.34 3.52 -1.26 -5.14 118.95 121.69 2jra s ARG 7 Ca 0.36 -1.06 -0.12 0.00 -0.13 0.00 0.00 55.73 54.78 2jra s ARG 7 Cb -0.19 -1.14 0.01 0.00 -1.56 0.00 0.00 34.95 32.07 2jra s ARG 7 CO 0.21 -1.17 1.08 -0.48 -0.81 0.00 0.00 175.30 174.12 2jra s LEU 8 N 1.36 3.20 -1.07 -0.88 0.05 -1.26 -4.99 118.68 115.09 2jra s LEU 8 Ca 0.16 1.78 -0.08 0.00 0.05 0.00 0.00 54.13 56.04 2jra s LEU 8 Cb -0.20 -4.52 0.27 0.00 -2.05 0.00 0.00 46.19 39.69 2jra s LEU 8 CO -0.07 -1.61 1.04 -0.83 -0.55 0.00 0.00 176.35 174.33 2jra s GLY 9 N -3.30 3.20 -0.79 -3.48 0.00 -1.26 -4.93 107.32 96.76 2jra s GLY 9 Ca 0.61 -3.84 -0.08 0.00 0.00 0.00 0.00 44.72 41.41 2jra s GLY 9 CO 0.50 1.30 3.26 0.00 0.00 0.00 0.00 173.10 178.16 2jra n ALA 10 N 2.62 6.88 -2.70 3.20 0.00 -1.26 -4.92 120.51 124.33 2jra n ALA 10 Ca 0.23 -2.62 -0.42 0.00 0.00 0.00 0.00 53.44 50.63 2jra n ALA 10 Cb 0.39 -2.83 -0.03 0.00 0.00 0.00 0.00 19.45 16.97 2jra n ALA 10 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jra s ASP 11 N 2.11 7.31 -0.24 0.00 2.15 -1.26 -4.97 116.67 121.77 2jra s ASP 11 Ca 0.67 1.59 -0.28 0.00 0.43 0.00 0.00 52.55 54.96 2jra s ASP 11 Cb 0.25 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 40.27 2jra s ASP 11 CO -0.03 -0.31 2.12 -2.16 -0.17 0.00 0.00 175.17 174.63 2jra s PRO 12 N 1.30 3.17 -0.32 4.34 0.04 -1.26 -4.94 135.00 137.33 2jra s PRO 12 Ca 0.50 1.89 -0.26 0.00 0.04 0.00 0.00 61.00 63.17 2jra s PRO 12 Cb -0.20 -4.33 0.01 0.00 0.04 0.00 0.00 34.50 30.02 2jra s PRO 12 CO 0.24 -2.05 0.93 0.99 0.04 0.00 0.00 177.00 177.15 2jra s THR 13 N 7.99 4.64 -1.08 1.26 2.01 -1.26 -4.94 115.64 124.26 2jra s THR 13 Ca 0.96 1.41 -0.20 0.00 0.31 0.00 0.00 61.69 64.17 2jra s THR 13 Cb -0.31 -4.29 -0.07 0.00 0.01 0.00 0.00 72.50 67.84 2jra s THR 13 CO 0.35 -0.40 1.97 0.00 -0.69 0.00 0.00 174.62 175.85 2jra n GLN 14 N 6.58 2.06 -2.82 4.92 6.02 -1.26 -4.89 117.38 127.98 2jra n GLN 14 Ca 0.08 -2.33 -0.43 0.00 -0.01 0.00 0.00 57.00 54.30 2jra n GLN 14 Cb 0.48 -3.25 -0.04 0.00 1.02 0.00 0.00 30.24 28.45 2jra n GLN 14 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jra s ALA 15 N 5.72 3.25 0.05 -1.58 0.00 -1.26 -5.00 121.76 122.95 2jra s ALA 15 Ca 0.57 -0.76 -0.30 0.00 0.00 0.00 0.00 51.96 51.46 2jra s ALA 15 Cb 0.10 -3.63 -0.08 0.00 0.00 0.00 0.00 23.12 19.51 2jra s ALA 15 CO 0.07 -2.01 1.70 0.00 0.00 0.00 0.00 175.76 175.52 2jra s ALA 16 N 3.72 3.67 -0.51 0.00 0.00 -1.26 -4.93 121.76 122.45 2jra s ALA 16 Ca 0.37 1.20 -0.27 0.00 0.00 0.00 0.00 51.96 53.25 2jra s ALA 16 Cb -0.10 -3.72 -0.01 0.00 0.00 0.00 0.00 23.12 19.28 2jra s ALA 16 CO 0.25 -1.20 1.71 0.45 0.00 0.00 0.00 175.76 176.97 2jra s SER 17 N 2.76 5.71 -0.14 0.00 0.15 -1.26 -4.96 113.70 115.96 2jra s SER 17 Ca 0.76 0.61 -0.29 0.00 0.70 0.00 0.00 55.95 57.73 2jra s SER 17 Cb -0.40 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.34 2jra s SER 17 CO 0.33 -1.98 1.72 -0.94 1.20 0.00 0.00 173.24 173.57 2jra s SER 18 N 6.41 6.39 -0.18 5.45 1.04 -1.26 -4.96 113.70 126.59 2jra s SER 18 Ca 0.67 1.94 -0.29 0.00 0.48 0.00 0.00 55.95 58.75 2jra s SER 18 Cb -0.15 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.43 2jra s SER 18 CO 0.26 -1.20 1.29 -2.16 0.98 0.00 0.00 173.24 172.40 2jra s PRO 19 N 4.62 4.18 0.00 4.02 0.04 -1.26 -4.91 135.00 141.69 2jra s PRO 19 Ca 0.77 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.42 2jra s PRO 19 Cb -0.30 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.45 2jra s PRO 19 CO 0.31 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.98 2jra n GLY 20 N 3.75 -1.19 3.14 0.56 0.00 -1.26 -5.13 105.19 105.06 2jra n GLY 20 Ca 0.14 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 1.32 3.88 -0.02 0.00 -1.26 -4.90 105.19 104.21 2jra n GLY 21 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.68 3.40 0.03 4.61 0.00 -1.26 -5.11 121.76 121.75 2jra s ALA 22 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 2jra s ALA 22 Cb 0.00 -2.62 -0.02 0.00 0.00 0.00 0.00 23.12 20.48 2jra s ALA 22 CO 0.00 -0.02 -0.00 -0.98 0.00 0.00 0.00 175.76 174.75 2jra s ARG 23 N -3.94 0.43 -0.18 0.00 1.70 -1.26 -5.15 118.95 110.55 2jra s ARG 23 Ca 0.49 -0.77 -0.05 0.00 -0.47 0.00 0.00 55.73 54.93 2jra s ARG 23 Cb -0.10 0.16 -0.03 0.00 -0.57 0.00 0.00 34.95 34.40 2jra s ARG 23 CO 0.33 -0.08 0.00 0.00 -1.08 0.00 0.00 175.30 174.47 2jra s ALA 24 N -2.23 3.12 0.03 7.88 0.00 -1.26 -5.10 121.76 124.19 2jra s ALA 24 Ca -0.09 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.09 2jra s ALA 24 Cb -0.04 -1.73 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 2jra s ALA 24 CO -0.04 0.08 -0.22 0.14 0.00 0.00 0.00 175.76 175.72 2jra s VAL 25 N 0.59 2.45 0.09 0.00 -7.23 -1.26 -5.12 120.40 109.92 2jra s VAL 25 Ca -0.00 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 2jra s VAL 25 Cb -0.14 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 2jra s VAL 25 CO 0.02 0.40 0.24 -0.94 -0.31 0.00 0.00 175.10 174.51 2jra s SER 26 N -1.21 6.36 -0.12 4.85 1.04 -1.26 -5.10 113.70 118.26 2jra s SER 26 Ca 0.13 0.26 0.02 0.00 0.48 0.00 0.00 55.95 56.83 2jra s SER 26 Cb -0.10 -1.95 0.02 0.00 0.10 0.00 0.00 66.02 64.08 2jra s SER 26 CO 0.03 0.13 -0.17 -0.63 0.98 0.00 0.00 173.24 173.58 2jra s ILE 27 N -1.59 1.65 -0.55 -1.02 1.09 -1.26 -4.72 121.20 114.79 2jra s ILE 27 Ca 0.35 -0.72 -0.16 0.00 -1.10 0.00 0.00 60.65 59.02 2jra s ILE 27 Cb -0.12 -1.50 0.13 0.00 -1.06 0.00 0.00 42.46 39.91 2jra s ILE 27 CO 0.28 0.47 0.51 0.68 -0.10 0.00 0.00 174.94 176.78 2jra s VAL 28 N 1.04 5.19 0.00 2.92 -7.23 -0.32 -4.72 120.40 117.29 2jra s VAL 28 Ca -0.04 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 2jra s VAL 28 Cb -0.15 -4.32 0.00 0.00 0.56 0.00 0.00 36.38 32.47 2jra s VAL 28 CO -0.03 -0.87 0.00 0.61 -0.31 0.00 0.00 175.10 174.49 2jra n GLY 29 N 5.16 2.31 0.57 2.32 0.00 -1.26 -1.98 105.19 112.32 2jra n GLY 29 Ca -0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 4.43 -0.17 -4.78 1.61 6.94 -1.26 -5.14 115.26 116.89 2jra n ASN 30 Ca 0.00 -1.14 -0.23 0.00 -0.02 0.00 0.00 54.58 53.20 2jra n ASN 30 Cb 0.00 0.05 -0.05 0.00 -2.36 0.00 0.00 39.78 37.42 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 2.78 -0.05 -3.83 0.74 -0.84 -5.11 119.66 113.35 2jra s GLN 31 Ca 0.00 -1.11 -0.30 0.00 0.05 0.00 0.00 55.36 54.00 2jra s GLN 31 Cb 0.00 -2.48 0.08 0.00 1.10 0.00 0.00 33.01 31.71 2jra s GLN 31 CO 0.00 0.40 0.75 -1.50 -0.55 0.00 0.00 175.29 174.40 2jra s ILE 32 N -2.11 0.00 -0.04 -2.34 2.07 -1.26 -1.17 121.20 116.35 2jra s ILE 32 Ca 0.32 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.53 2jra s ILE 32 Cb -0.08 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.47 2jra s ILE 32 CO 0.23 0.00 0.14 -0.62 -1.91 0.00 0.00 174.94 172.79 2jra s ASP 33 N -1.38 6.18 0.59 4.50 -1.08 -1.26 -4.99 116.67 119.24 2jra s ASP 33 Ca -0.07 0.32 0.30 0.00 -0.52 0.00 0.00 52.55 52.58 2jra s ASP 33 Cb -0.00 -1.92 1.76 0.00 -1.46 0.00 0.00 42.92 41.30 2jra s ASP 33 CO 0.05 0.30 2.18 0.77 0.52 0.00 0.00 175.17 178.99 2jra h SER 34 N 4.19 0.00 -0.32 -0.34 4.64 -2.01 -1.83 113.55 117.88 2jra h SER 34 Ca -0.50 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.71 2jra h SER 34 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2jra h SER 34 CO 0.65 0.00 -0.21 0.03 -0.87 0.00 0.00 176.83 176.43 2jra h ARG 35 N 0.00 0.70 -0.46 4.77 -0.00 -1.94 -0.42 114.38 117.03 2jra h ARG 35 Ca 0.04 -0.33 0.08 0.00 -0.50 0.00 0.00 59.98 59.27 2jra h ARG 35 Cb 0.26 -0.01 -0.06 0.00 0.00 0.00 0.00 29.97 30.16 2jra h ARG 35 CO -0.00 0.93 0.09 0.93 0.00 0.00 0.00 179.97 181.92 2jra h GLU 36 N 0.46 0.21 0.11 0.04 4.39 -1.74 0.52 114.58 118.58 2jra h GLU 36 Ca 0.06 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2jra h GLU 36 Cb 0.75 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 2jra h GLU 36 CO 0.06 0.14 -0.05 -0.07 -1.16 0.00 0.00 179.01 177.92 2jra h LEU 37 N 0.22 -0.13 -3.83 1.33 3.38 -1.57 -3.38 115.31 111.33 2jra h LEU 37 Ca 0.23 -0.44 -0.38 0.00 0.09 0.00 0.00 57.88 57.38 2jra h LEU 37 Cb 0.30 0.03 -0.23 0.00 0.09 0.00 0.00 40.66 40.85 2jra h LEU 37 CO -0.31 0.46 0.44 0.49 0.09 0.00 0.00 178.44 179.61 2jra n PHE 38 N -4.88 2.60 0.07 1.13 3.72 -0.17 -4.34 117.46 115.59 2jra n PHE 38 Ca -0.08 -1.63 -0.07 0.00 -0.05 0.00 0.00 57.45 55.62 2jra n PHE 38 Cb 0.28 -0.81 -0.08 0.00 -0.94 0.00 0.00 39.48 37.93 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 1.46 1.66 0.00 4.37 1.03 -1.07 -3.42 112.91 116.93 2jra h THR 39 Ca 0.47 -3.19 0.00 0.00 -0.01 0.00 0.00 66.41 63.68 2jra h THR 39 Cb 2.54 2.75 0.00 0.00 -1.07 0.00 0.00 68.15 72.37 2jra h THR 39 CO 0.90 0.91 0.00 0.52 -0.01 0.00 0.00 175.52 177.84 2jra n VAL 40 N -3.44 0.00 -2.12 0.00 0.31 -1.26 -5.01 118.33 106.81 2jra n VAL 40 Ca -0.01 0.11 -0.20 0.00 -0.01 0.00 0.00 64.34 64.23 2jra n VAL 40 Cb 0.90 -0.82 0.12 0.00 -0.91 0.00 0.00 33.84 33.13 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 -1.39 0.57 -0.10 4.52 2.03 -1.26 -5.04 116.55 115.88 2jra n ASP 41 Ca 0.00 -1.63 0.03 0.00 0.52 0.00 0.00 54.79 53.71 2jra n ASP 41 Cb 0.00 -0.64 0.04 0.00 -0.72 0.00 0.00 41.12 39.80 2jra n ASP 41 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2jra n ARG 42 N -2.79 1.42 -3.76 -0.67 3.00 -1.26 -4.34 116.66 108.26 2jra n ARG 42 Ca 0.13 -1.53 -0.13 0.00 -0.00 0.00 0.00 57.85 56.32 2jra n ARG 42 Cb 0.45 -0.96 -0.13 0.00 0.00 0.00 0.00 32.46 31.82 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 -1.18 0.22 -0.05 -0.14 2.12 -1.26 -1.70 118.70 116.70 2jra s GLU 43 Ca 0.09 0.43 0.05 0.00 0.36 0.00 0.00 54.97 55.90 2jra s GLU 43 Cb 0.08 -0.03 -0.01 0.00 0.26 0.00 0.00 34.13 34.44 2jra s GLU 43 CO 0.01 -0.11 -0.21 0.42 -0.54 0.00 0.00 175.26 174.83 2jra s ILE 44 N 0.80 1.73 -0.41 -3.70 -1.09 0.23 -4.98 121.20 113.77 2jra s ILE 44 Ca -0.06 -0.88 -0.13 0.00 -2.23 0.00 0.00 60.65 57.36 2jra s ILE 44 Cb -0.07 -1.48 0.04 0.00 -1.58 0.00 0.00 42.46 39.37 2jra s ILE 44 CO -0.05 0.49 0.28 -0.69 -1.23 0.00 0.00 174.94 173.74 2jra s VAL 45 N -0.02 4.86 -0.50 2.92 1.01 -1.26 0.03 120.40 127.44 2jra s VAL 45 Ca -0.05 -0.91 -0.23 0.00 0.00 0.00 0.00 61.98 60.79 2jra s VAL 45 Cb -0.13 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.51 2jra s VAL 45 CO 0.03 -0.36 0.83 -0.63 0.00 0.00 0.00 175.10 174.97 2jra s ILE 46 N 1.59 4.57 0.06 2.22 1.01 0.74 -4.90 121.20 126.49 2jra s ILE 46 Ca 0.03 0.27 -0.21 0.00 0.00 0.00 0.00 60.65 60.74 2jra s ILE 46 Cb -0.21 -4.40 -0.06 0.00 0.01 0.00 0.00 42.46 37.80 2jra s ILE 46 CO 0.07 -0.88 0.62 0.00 0.00 0.00 0.00 174.94 174.75 2jra s ALA 47 N 3.47 3.52 -0.30 9.38 0.00 -1.26 -0.48 121.76 136.09 2jra s ALA 47 Ca 0.28 0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.34 2jra s ALA 47 Cb -0.13 -2.74 0.13 0.00 0.00 0.00 0.00 23.12 20.38 2jra s ALA 47 CO 0.20 0.29 0.27 -1.58 0.00 0.00 0.00 175.76 174.94 2jra s HIS 48 N -0.78 -0.24 0.00 0.00 5.04 -0.68 -4.99 115.29 113.64 2jra s HIS 48 Ca 0.31 -0.43 0.00 0.00 -1.54 0.00 0.00 55.06 53.40 2jra s HIS 48 Cb -0.20 -0.56 0.00 0.00 0.04 0.00 0.00 32.58 31.86 2jra s HIS 48 CO 0.20 -0.90 0.00 0.41 -2.34 0.00 0.00 174.74 172.10 2jra n GLY 49 N 5.15 2.01 0.00 1.59 0.00 -1.26 -2.87 105.19 109.81 2jra n GLY 49 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 4.57 0.00 -4.88 1.61 8.00 -1.26 -5.12 116.55 119.47 2jra n ASP 50 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 2jra n ASP 50 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2jra n ASP 50 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2jra s ASP 51 N 0.00 6.32 -0.10 -2.24 1.11 -1.14 -5.08 116.67 115.54 2jra s ASP 51 Ca 0.00 1.22 0.02 0.00 0.18 0.00 0.00 52.55 53.97 2jra s ASP 51 Cb 0.00 -2.38 0.01 0.00 1.07 0.00 0.00 42.92 41.63 2jra s ASP 51 CO 0.00 -0.67 -0.15 -0.13 1.18 0.00 0.00 175.17 175.40 2jra s ARG 52 N -4.73 2.17 0.30 8.23 0.52 -1.26 -1.68 118.95 122.50 2jra s ARG 52 Ca 0.52 -0.55 0.09 0.00 -0.52 0.00 0.00 55.73 55.27 2jra s ARG 52 Cb -0.11 -1.84 -0.04 0.00 0.52 0.00 0.00 34.95 33.48 2jra s ARG 52 CO 0.45 -0.05 0.05 0.71 0.02 0.00 0.00 175.30 176.49 2jra s TYR 53 N 0.94 2.70 -0.20 -0.53 1.51 0.37 -4.81 117.35 117.33 2jra s TYR 53 Ca -0.08 -0.29 -0.03 0.00 -1.01 0.00 0.00 57.07 55.66 2jra s TYR 53 Cb -0.15 -1.37 0.06 0.00 -0.11 0.00 0.00 41.96 40.39 2jra s TYR 53 CO -0.01 0.51 0.05 1.03 -1.11 0.00 0.00 175.55 176.02 2jra s ARG 54 N -3.74 0.57 -0.32 -0.62 0.52 0.11 -0.19 118.95 115.28 2jra s ARG 54 Ca 0.34 -0.42 -0.24 0.00 -0.52 0.00 0.00 55.73 54.90 2jra s ARG 54 Cb -0.05 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.38 2jra s ARG 54 CO 0.21 -0.67 0.80 -1.17 0.02 0.00 0.00 175.30 174.48 2jra s LEU 55 N 1.89 4.09 -0.03 2.53 2.96 0.11 -0.60 118.68 129.63 2jra s LEU 55 Ca 0.00 0.59 0.07 0.00 -0.22 0.00 0.00 54.13 54.58 2jra s LEU 55 Cb -0.17 -3.08 -0.02 0.00 0.50 0.00 0.00 46.19 43.42 2jra s LEU 55 CO -0.10 -0.66 -0.25 -0.60 -1.32 0.00 0.00 176.35 173.43 2jra s ARG 56 N 3.02 2.10 0.05 1.98 3.52 0.07 -0.61 118.95 129.09 2jra s ARG 56 Ca 0.33 -0.89 0.05 0.00 -0.13 0.00 0.00 55.73 55.08 2jra s ARG 56 Cb -0.14 -1.98 -0.04 0.00 -1.56 0.00 0.00 34.95 31.23 2jra s ARG 56 CO 0.14 0.51 -0.07 -1.17 -0.81 0.00 0.00 175.30 173.90 2jra s LEU 57 N -0.50 3.17 0.00 -0.88 2.96 -0.69 -0.58 118.68 122.15 2jra s LEU 57 Ca 0.07 -0.22 -0.11 0.00 -0.22 0.00 0.00 54.13 53.65 2jra s LEU 57 Cb -0.10 -1.88 0.17 0.00 0.50 0.00 0.00 46.19 44.87 2jra s LEU 57 CO -0.00 0.23 1.00 0.35 -1.32 0.00 0.00 176.35 176.61 2jra n THR 58 N 1.15 0.00 0.02 3.68 -2.24 -0.12 -4.89 114.28 111.88 2jra n THR 58 Ca -0.14 -0.87 -0.14 0.00 -2.27 0.00 0.00 64.05 60.63 2jra n THR 58 Cb 0.52 -1.49 -0.07 0.00 -2.10 0.00 0.00 70.33 67.19 2jra n THR 58 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2jra h SER 59 N -1.20 -1.42 0.00 3.42 0.87 -2.00 -3.42 113.55 109.80 2jra h SER 59 Ca -0.33 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 2jra h SER 59 Cb 0.95 0.56 0.00 0.00 -0.44 0.00 0.00 62.40 63.47 2jra h SER 59 CO 0.25 -0.46 0.00 0.00 -0.53 0.00 0.00 176.83 176.09 2jra n GLN 60 N -5.45 0.00 0.00 2.24 6.02 -1.26 -5.03 117.38 113.90 2jra n GLN 60 Ca -0.05 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 2jra n GLN 60 Cb 0.37 -0.11 0.00 0.00 1.02 0.00 0.00 30.24 31.53 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 0.00 0.00 -1.10 1.08 2.85 -1.26 -5.05 115.26 111.78 2jra n ASN 61 Ca 0.00 0.39 -0.01 0.00 -0.11 0.00 0.00 54.58 54.85 2jra n ASN 61 Cb 0.29 -0.20 -0.00 0.00 1.24 0.00 0.00 39.78 41.10 2jra n ASN 61 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 2jra n LYS 62 N -1.11 0.04 -4.19 1.20 2.85 -1.26 -5.01 118.16 110.67 2jra n LYS 62 Ca 0.00 -0.13 -0.12 0.00 -1.05 0.00 0.00 58.31 57.01 2jra n LYS 62 Cb 0.00 0.13 -0.10 0.00 -0.65 0.00 0.00 35.03 34.41 2jra n LYS 62 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 2jra s LEU 63 N 0.00 2.29 0.22 -5.58 2.34 -1.26 -0.95 118.68 115.74 2jra s LEU 63 Ca 0.01 -1.09 -0.07 0.00 0.06 0.00 0.00 54.13 53.05 2jra s LEU 63 Cb -0.00 -0.03 -0.02 0.00 -0.56 0.00 0.00 46.19 45.58 2jra s LEU 63 CO 0.01 -0.53 0.29 0.27 -1.06 0.00 0.00 176.35 175.32 2jra s ILE 64 N -3.68 0.01 -0.24 1.48 -5.25 0.25 -5.00 121.20 108.77 2jra s ILE 64 Ca 0.18 -1.71 0.02 0.00 -0.99 0.00 0.00 60.65 58.15 2jra s ILE 64 Cb 0.06 -2.32 0.05 0.00 2.95 0.00 0.00 42.46 43.20 2jra s ILE 64 CO -0.01 -0.03 -0.13 -0.22 -1.79 0.00 0.00 174.94 172.76 2jra s LEU 65 N -3.08 3.10 0.46 0.37 2.96 -1.26 -0.75 118.68 120.48 2jra s LEU 65 Ca 0.30 -1.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.03 2jra s LEU 65 Cb 0.04 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.18 2jra s LEU 65 CO 0.10 -0.15 0.03 0.28 -1.32 0.00 0.00 176.35 175.29 2jra s THR 66 N 1.16 1.18 0.00 3.68 -1.32 0.23 -4.96 115.64 115.61 2jra s THR 66 Ca -0.06 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.42 2jra s THR 66 Cb -0.18 -2.38 0.00 0.00 -1.51 0.00 0.00 72.50 68.43 2jra s THR 66 CO -0.07 0.00 0.34 0.29 -2.21 0.00 0.00 174.62 172.97