#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 0.41 -2.39 3.17 0.00 -1.26 -5.08 117.12 111.97 2jra n MET 2 Ca 0.00 -1.16 -0.36 0.00 -0.00 0.00 0.00 57.70 56.17 2jra n MET 2 Cb 0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 33.22 32.41 2jra n MET 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2jra s THR 3 N 0.40 3.78 -1.28 1.12 2.01 -1.26 -4.90 115.64 115.51 2jra s THR 3 Ca 0.29 -0.71 -0.19 0.00 0.31 0.00 0.00 61.69 61.39 2jra s THR 3 Cb 0.21 -4.73 0.03 0.00 0.01 0.00 0.00 72.50 68.02 2jra s THR 3 CO -0.15 -1.61 1.82 0.00 -0.69 0.00 0.00 174.62 173.99 2jra n ALA 4 N 10.58 3.35 -1.53 7.40 0.00 -1.26 -4.82 120.51 134.23 2jra n ALA 4 Ca 0.36 -3.67 -0.35 0.00 0.00 0.00 0.00 53.44 49.79 2jra n ALA 4 Cb 0.49 -3.58 -0.04 0.00 0.00 0.00 0.00 19.45 16.32 2jra n ALA 4 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jra n SER 5 N 9.42 7.84 -4.82 0.00 3.41 -1.26 -4.94 113.62 123.27 2jra n SER 5 Ca 0.48 -2.83 -0.33 0.00 -0.26 0.00 0.00 58.87 55.94 2jra n SER 5 Cb 0.45 -1.44 -0.06 0.00 -0.26 0.00 0.00 64.21 62.91 2jra n SER 5 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2jra s ASP 6 N 1.33 6.73 -0.06 4.04 1.11 -1.26 -5.08 116.67 123.48 2jra s ASP 6 Ca 0.63 1.75 -0.18 0.00 0.18 0.00 0.00 52.55 54.93 2jra s ASP 6 Cb 0.22 -2.54 0.04 0.00 1.07 0.00 0.00 42.92 41.70 2jra s ASP 6 CO -0.08 -0.50 0.41 0.00 1.18 0.00 0.00 175.17 176.17 2jra s ARG 7 N -3.28 0.70 0.48 8.23 1.70 -1.26 -5.17 118.95 120.34 2jra s ARG 7 Ca 0.63 0.10 -0.07 0.00 -0.47 0.00 0.00 55.73 55.92 2jra s ARG 7 Cb -0.11 0.32 0.11 0.00 -0.57 0.00 0.00 34.95 34.70 2jra s ARG 7 CO 0.17 -0.18 0.66 1.28 -1.08 0.00 0.00 175.30 176.15 2jra n LEU 8 N 1.61 0.00 -3.45 -1.89 4.32 -1.26 -4.88 117.00 111.46 2jra n LEU 8 Ca -0.19 -0.80 -0.35 0.00 -0.02 0.00 0.00 56.01 54.66 2jra n LEU 8 Cb 0.56 -0.49 -0.04 0.00 -1.62 0.00 0.00 43.42 41.83 2jra n LEU 8 CO 0.20 -0.95 2.21 0.61 -1.22 0.00 0.00 177.39 178.23 2jra n GLY 9 N 0.62 2.80 0.09 -0.72 0.00 -1.26 -4.35 105.19 102.37 2jra n GLY 9 Ca 0.09 -1.11 -0.06 0.00 0.00 0.00 0.00 46.02 44.94 2jra n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jra n ALA 10 N 6.19 1.67 -1.93 4.61 0.00 -1.26 -4.91 120.51 124.89 2jra n ALA 10 Ca 0.47 -0.93 -0.36 0.00 0.00 0.00 0.00 53.44 52.62 2jra n ALA 10 Cb 0.30 -0.60 -0.06 0.00 0.00 0.00 0.00 19.45 19.08 2jra n ALA 10 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2jra s ASP 11 N -5.69 7.17 -1.17 0.00 -4.77 -1.26 -4.96 116.67 105.99 2jra s ASP 11 Ca -0.07 1.63 -0.22 0.00 -3.30 0.00 0.00 52.55 50.60 2jra s ASP 11 Cb 0.08 -2.50 -0.03 0.00 -1.09 0.00 0.00 42.92 39.37 2jra s ASP 11 CO 0.83 -0.06 1.86 -2.16 0.70 0.00 0.00 175.17 176.34 2jra s PRO 12 N -2.16 2.95 -1.26 2.11 0.04 -1.26 -4.87 135.00 130.55 2jra s PRO 12 Ca 0.48 -1.28 -0.16 0.00 0.04 0.00 0.00 61.00 60.08 2jra s PRO 12 Cb -0.17 -5.31 0.11 0.00 0.04 0.00 0.00 34.50 29.18 2jra s PRO 12 CO 0.21 -3.36 1.62 0.99 0.04 0.00 0.00 177.00 176.50 2jra s THR 13 N 8.80 4.47 -0.16 1.26 2.01 -1.26 -4.86 115.64 125.89 2jra s THR 13 Ca 0.63 -2.19 -0.31 0.00 0.31 0.00 0.00 61.69 60.13 2jra s THR 13 Cb -0.00 -5.09 0.14 0.00 0.01 0.00 0.00 72.50 67.56 2jra s THR 13 CO 0.09 -1.87 1.11 -1.58 -0.69 0.00 0.00 174.62 171.68 2jra s GLN 14 N 3.22 0.44 -1.01 4.92 0.74 -1.26 -5.06 119.66 121.65 2jra s GLN 14 Ca 0.50 -0.05 -0.21 0.00 0.05 0.00 0.00 55.36 55.65 2jra s GLN 14 Cb 0.01 0.21 -0.10 0.00 1.10 0.00 0.00 33.01 34.23 2jra s GLN 14 CO 0.05 -0.17 1.96 0.00 -0.55 0.00 0.00 175.29 176.58 2jra n ALA 15 N 0.23 3.33 -1.71 1.58 0.00 -1.26 -4.93 120.51 117.75 2jra n ALA 15 Ca -0.04 -3.38 -0.29 0.00 0.00 0.00 0.00 53.44 49.73 2jra n ALA 15 Cb 0.59 -3.59 0.10 0.00 0.00 0.00 0.00 19.45 16.55 2jra n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jra s ALA 16 N 6.02 2.29 -1.17 0.00 0.00 -1.26 -4.89 121.76 122.74 2jra s ALA 16 Ca 0.58 -0.51 -0.23 0.00 0.00 0.00 0.00 51.96 51.81 2jra s ALA 16 Cb 0.10 -3.01 -0.08 0.00 0.00 0.00 0.00 23.12 20.13 2jra s ALA 16 CO 0.09 -1.86 1.93 -1.12 0.00 0.00 0.00 175.76 174.80 2jra s SER 17 N -4.25 5.11 -0.47 0.00 0.01 -1.26 -4.67 113.70 108.17 2jra s SER 17 Ca 0.62 -1.63 0.06 0.00 1.31 0.00 0.00 55.95 56.32 2jra s SER 17 Cb -0.13 -2.59 0.18 0.00 0.21 0.00 0.00 66.02 63.70 2jra s SER 17 CO 0.52 -2.98 0.61 -0.44 0.41 0.00 0.00 173.24 171.35 2jra s SER 18 N 6.51 -0.68 0.83 2.44 0.01 -1.26 -5.17 113.70 116.38 2jra s SER 18 Ca 0.68 -1.80 -0.11 0.00 1.31 0.00 0.00 55.95 56.03 2jra s SER 18 Cb -0.01 1.36 0.12 0.00 0.21 0.00 0.00 66.02 67.70 2jra s SER 18 CO 0.12 -0.11 1.18 -2.16 0.41 0.00 0.00 173.24 172.68 2jra s PRO 19 N 0.95 1.54 0.00 12.44 0.04 -1.26 -4.32 135.00 144.39 2jra s PRO 19 Ca 0.27 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.07 2jra s PRO 19 Cb -0.02 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2jra s PRO 19 CO -0.08 -1.79 0.00 0.41 0.04 0.00 0.00 177.00 175.59 2jra n GLY 20 N -3.35 3.06 7.00 0.56 0.00 -1.26 -4.91 105.19 106.30 2jra n GLY 20 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.47 1.66 3.54 -0.02 0.00 -1.26 -4.42 105.19 103.22 2jra n GLY 21 Ca 0.00 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.96 3.31 -0.11 4.61 0.00 -1.26 -5.04 121.76 121.31 2jra s ALA 22 Ca 0.00 -1.03 -0.00 0.00 0.00 0.00 0.00 51.96 50.93 2jra s ALA 22 Cb 0.00 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 2jra s ALA 22 CO 0.00 -1.87 -0.10 -0.98 0.00 0.00 0.00 175.76 172.81 2jra s ARG 23 N 3.16 3.17 -0.27 0.00 1.70 -1.26 -5.10 118.95 120.35 2jra s ARG 23 Ca 0.28 -0.63 -0.11 0.00 -0.47 0.00 0.00 55.73 54.81 2jra s ARG 23 Cb -0.13 -2.64 -0.05 0.00 -0.57 0.00 0.00 34.95 31.57 2jra s ARG 23 CO 0.21 0.38 0.18 0.00 -1.08 0.00 0.00 175.30 174.99 2jra s ALA 24 N -0.06 3.50 0.04 7.88 0.00 -1.26 -5.09 121.76 126.78 2jra s ALA 24 Ca -0.01 -1.07 0.07 0.00 0.00 0.00 0.00 51.96 50.94 2jra s ALA 24 Cb -0.14 -2.43 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 2jra s ALA 24 CO 0.03 -0.51 -0.18 0.14 0.00 0.00 0.00 175.76 175.25 2jra s VAL 25 N 1.68 2.82 0.16 0.00 -7.23 -1.26 -5.13 120.40 111.44 2jra s VAL 25 Ca 0.07 -1.15 0.05 0.00 -1.81 0.00 0.00 61.98 59.13 2jra s VAL 25 Cb -0.16 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 2jra s VAL 25 CO 0.10 0.35 0.15 -0.94 -0.31 0.00 0.00 175.10 174.45 2jra s SER 26 N -1.40 5.60 -0.04 4.85 1.04 -1.26 -5.12 113.70 117.37 2jra s SER 26 Ca 0.15 -0.09 0.03 0.00 0.48 0.00 0.00 55.95 56.51 2jra s SER 26 Cb -0.11 -1.49 0.00 0.00 0.10 0.00 0.00 66.02 64.53 2jra s SER 26 CO 0.05 0.07 -0.14 -0.63 0.98 0.00 0.00 173.24 173.57 2jra s ILE 27 N -1.74 1.18 -0.58 -1.02 1.09 -1.26 -4.56 121.20 114.32 2jra s ILE 27 Ca 0.31 -0.57 -0.16 0.00 -1.10 0.00 0.00 60.65 59.13 2jra s ILE 27 Cb -0.10 -1.04 0.13 0.00 -1.06 0.00 0.00 42.46 40.39 2jra s ILE 27 CO 0.24 0.35 0.57 0.68 -0.10 0.00 0.00 174.94 176.68 2jra s VAL 28 N 0.22 5.17 0.00 2.92 -7.23 -0.03 -4.79 120.40 116.65 2jra s VAL 28 Ca -0.06 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 2jra s VAL 28 Cb -0.12 -4.39 0.00 0.00 0.56 0.00 0.00 36.38 32.44 2jra s VAL 28 CO 0.02 -0.94 0.00 0.61 -0.31 0.00 0.00 175.10 174.48 2jra n GLY 29 N 5.14 2.36 0.62 2.32 0.00 -1.26 -1.80 105.19 112.57 2jra n GLY 29 Ca -0.10 0.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 5.12 -0.00 -4.14 1.61 6.94 -1.26 -5.08 115.26 118.44 2jra n ASN 30 Ca 0.00 -1.57 -0.33 0.00 -0.02 0.00 0.00 54.58 52.65 2jra n ASN 30 Cb 0.00 -0.08 -0.16 0.00 -2.36 0.00 0.00 39.78 37.18 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 0.18 -3.83 0.74 -0.75 -5.12 119.66 113.85 2jra s GLN 31 Ca 0.03 -0.86 0.05 0.00 0.05 0.00 0.00 55.36 54.63 2jra s GLN 31 Cb 0.03 -2.68 -0.04 0.00 1.10 0.00 0.00 33.01 31.43 2jra s GLN 31 CO -0.01 -0.25 0.18 -1.50 -0.55 0.00 0.00 175.29 173.16 2jra s ILE 32 N 1.30 4.68 0.10 -2.34 2.07 -1.26 -0.85 121.20 124.89 2jra s ILE 32 Ca 0.04 -1.05 0.05 0.00 -1.41 0.00 0.00 60.65 58.28 2jra s ILE 32 Cb -0.14 -3.42 -0.04 0.00 0.13 0.00 0.00 42.46 38.99 2jra s ILE 32 CO -0.11 -0.15 -0.02 -0.62 -1.91 0.00 0.00 174.94 172.13 2jra s ASP 33 N -3.29 4.90 0.64 4.50 -1.08 -1.26 -5.00 116.67 116.07 2jra s ASP 33 Ca 0.32 -0.23 0.38 0.00 -0.52 0.00 0.00 52.55 52.51 2jra s ASP 33 Cb -0.10 -1.12 2.18 0.00 -1.46 0.00 0.00 42.92 42.41 2jra s ASP 33 CO 0.25 0.17 2.32 0.28 0.52 0.00 0.00 175.17 178.71 2jra h SER 34 N 3.43 0.00 -0.70 -0.34 0.02 -2.00 -2.22 113.55 111.74 2jra h SER 34 Ca -0.48 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.40 2jra h SER 34 Cb 1.17 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 2jra h SER 34 CO 0.58 0.00 0.14 0.03 -1.14 0.00 0.00 176.83 176.45 2jra h ARG 35 N 0.00 1.14 0.17 3.45 2.47 -1.94 -1.30 114.38 118.37 2jra h ARG 35 Ca -0.00 -0.29 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 2jra h ARG 35 Cb 0.00 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.17 2jra h ARG 35 CO 0.00 1.02 -0.16 0.93 0.56 0.00 0.00 179.97 182.32 2jra h GLU 36 N 1.07 -0.33 0.06 0.04 4.39 -1.79 -2.62 114.58 115.40 2jra h GLU 36 Ca 0.22 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.94 2jra h GLU 36 Cb 0.41 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2jra h GLU 36 CO 0.01 -0.22 -0.03 -0.07 -1.16 0.00 0.00 179.01 177.54 2jra h LEU 37 N -0.35 -0.06 -3.26 1.33 3.38 -1.63 -3.32 115.31 111.39 2jra h LEU 37 Ca 0.00 -0.56 -0.33 0.00 0.09 0.00 0.00 57.88 57.08 2jra h LEU 37 Cb 0.32 0.02 -0.19 0.00 0.09 0.00 0.00 40.66 40.90 2jra h LEU 37 CO -0.03 0.65 0.42 0.49 0.09 0.00 0.00 178.44 180.05 2jra n PHE 38 N -4.77 1.90 0.02 1.13 3.72 -0.50 -4.33 117.46 114.64 2jra n PHE 38 Ca -0.07 -1.42 -0.01 0.00 -0.05 0.00 0.00 57.45 55.90 2jra n PHE 38 Cb 0.30 -0.72 0.27 0.00 -0.94 0.00 0.00 39.48 38.40 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 0.65 1.22 0.00 4.37 1.03 -1.57 -3.39 112.91 115.22 2jra h THR 39 Ca 0.39 -0.97 0.00 0.00 -0.01 0.00 0.00 66.41 65.82 2jra h THR 39 Cb 2.03 1.14 0.00 0.00 -1.07 0.00 0.00 68.15 70.26 2jra h THR 39 CO 0.71 0.32 -0.16 0.52 -0.01 0.00 0.00 175.52 176.90 2jra n VAL 40 N -4.22 1.12 -1.44 0.00 0.31 -1.26 -5.08 118.33 107.76 2jra n VAL 40 Ca 0.00 0.33 -0.30 0.00 -0.01 0.00 0.00 64.34 64.36 2jra n VAL 40 Cb 0.31 -1.65 0.20 0.00 -0.91 0.00 0.00 33.84 31.79 2jra n VAL 40 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2jra s ASP 41 N -5.83 2.23 0.00 4.52 1.11 -1.26 -4.99 116.67 112.44 2jra s ASP 41 Ca -0.05 0.62 0.01 0.00 0.18 0.00 0.00 52.55 53.31 2jra s ASP 41 Cb 0.01 -0.89 0.02 0.00 1.07 0.00 0.00 42.92 43.12 2jra s ASP 41 CO 0.07 -3.31 0.67 -1.14 1.18 0.00 0.00 175.17 172.63 2jra n ARG 42 N -4.22 0.17 -3.73 8.23 3.00 -1.26 -4.57 116.66 114.29 2jra n ARG 42 Ca 0.12 -0.83 -0.13 0.00 -0.00 0.00 0.00 57.85 57.00 2jra n ARG 42 Cb 0.59 -1.03 -0.10 0.00 0.00 0.00 0.00 32.46 31.93 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 -0.34 0.50 0.04 -0.14 2.12 -1.26 -0.89 118.70 118.73 2jra s GLU 43 Ca 0.02 0.57 0.07 0.00 0.36 0.00 0.00 54.97 55.99 2jra s GLU 43 Cb 0.01 0.24 -0.02 0.00 0.26 0.00 0.00 34.13 34.62 2jra s GLU 43 CO 0.02 -0.06 -0.19 0.42 -0.54 0.00 0.00 175.26 174.90 2jra s ILE 44 N 0.19 1.52 -0.08 -3.70 -1.09 0.49 -4.97 121.20 113.56 2jra s ILE 44 Ca -0.00 -1.14 -0.05 0.00 -2.23 0.00 0.00 60.65 57.22 2jra s ILE 44 Cb -0.03 -1.33 -0.04 0.00 -1.58 0.00 0.00 42.46 39.48 2jra s ILE 44 CO 0.01 0.16 0.15 -0.69 -1.23 0.00 0.00 174.94 173.34 2jra s VAL 45 N -0.80 5.45 -0.18 2.92 1.01 -1.26 0.08 120.40 127.62 2jra s VAL 45 Ca 0.06 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 2jra s VAL 45 Cb -0.08 -3.43 0.05 0.00 0.00 0.00 0.00 36.38 32.92 2jra s VAL 45 CO 0.02 0.52 -0.01 -0.63 0.00 0.00 0.00 175.10 175.00 2jra s ILE 46 N -1.12 0.86 0.03 2.22 1.01 -0.08 -4.94 121.20 119.17 2jra s ILE 46 Ca 0.19 -0.63 -0.13 0.00 0.00 0.00 0.00 60.65 60.08 2jra s ILE 46 Cb -0.12 -1.19 -0.06 0.00 0.01 0.00 0.00 42.46 41.10 2jra s ILE 46 CO 0.09 -0.05 0.40 0.00 0.00 0.00 0.00 174.94 175.39 2jra s ALA 47 N 1.72 3.71 -0.31 9.38 0.00 -1.26 -0.45 121.76 134.55 2jra s ALA 47 Ca -0.01 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.69 2jra s ALA 47 Cb -0.16 -2.35 0.14 0.00 0.00 0.00 0.00 23.12 20.75 2jra s ALA 47 CO -0.07 0.51 0.33 -1.58 0.00 0.00 0.00 175.76 174.95 2jra s HIS 48 N -1.19 -0.51 0.00 0.00 5.04 -0.63 -4.98 115.29 113.01 2jra s HIS 48 Ca 0.27 -0.27 0.00 0.00 -1.54 0.00 0.00 55.06 53.52 2jra s HIS 48 Cb -0.16 -0.40 0.00 0.00 0.04 0.00 0.00 32.58 32.06 2jra s HIS 48 CO 0.15 -0.95 0.00 0.41 -2.34 0.00 0.00 174.74 172.01 2jra n GLY 49 N 5.03 2.04 0.00 1.59 0.00 -1.26 -3.11 105.19 109.48 2jra n GLY 49 Ca 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 4.09 0.00 -4.86 1.61 2.03 -1.26 -5.13 116.55 113.03 2jra n ASP 50 Ca 0.00 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.00 2jra n ASP 50 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 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 0.00 6.35 -0.05 1.67 2.15 -1.18 -5.06 116.67 120.55 2jra s ASP 51 Ca 0.00 1.50 0.02 0.00 0.43 0.00 0.00 52.55 54.49 2jra s ASP 51 Cb 0.00 -2.49 0.02 0.00 -0.30 0.00 0.00 42.92 40.15 2jra s ASP 51 CO 0.00 -0.78 -0.07 -0.13 -0.17 0.00 0.00 175.17 174.02 2jra s ARG 52 N -4.69 1.09 0.43 4.34 0.52 -1.26 -1.61 118.95 117.76 2jra s ARG 52 Ca 0.57 -0.22 0.07 0.00 -0.52 0.00 0.00 55.73 55.63 2jra s ARG 52 Cb -0.11 -1.00 -0.04 0.00 0.52 0.00 0.00 34.95 34.32 2jra s ARG 52 CO 0.44 -0.02 0.22 0.71 0.02 0.00 0.00 175.30 176.68 2jra s TYR 53 N 0.71 2.54 -0.17 -0.53 1.51 0.41 -4.88 117.35 116.94 2jra s TYR 53 Ca -0.11 -0.60 -0.04 0.00 -1.01 0.00 0.00 57.07 55.31 2jra s TYR 53 Cb -0.14 -1.99 0.06 0.00 -0.11 0.00 0.00 41.96 39.78 2jra s TYR 53 CO 0.01 0.09 0.06 1.03 -1.11 0.00 0.00 175.55 175.63 2jra s ARG 54 N -3.97 0.38 -0.49 -0.62 0.52 0.16 -0.90 118.95 114.02 2jra s ARG 54 Ca 0.41 -0.23 -0.27 0.00 -0.52 0.00 0.00 55.73 55.12 2jra s ARG 54 Cb 0.02 -1.89 0.03 0.00 0.52 0.00 0.00 34.95 33.63 2jra s ARG 54 CO 0.23 -0.63 1.02 -1.17 0.02 0.00 0.00 175.30 174.77 2jra s LEU 55 N 1.99 3.84 -0.09 2.53 2.96 0.11 -1.10 118.68 128.93 2jra s LEU 55 Ca 0.01 0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 54.06 2jra s LEU 55 Cb -0.16 -3.25 -0.03 0.00 0.50 0.00 0.00 46.19 43.25 2jra s LEU 55 CO -0.08 -1.19 -0.04 -0.60 -1.32 0.00 0.00 176.35 173.13 2jra s ARG 56 N 4.13 3.00 -0.10 1.98 3.52 -0.47 -0.38 118.95 130.63 2jra s ARG 56 Ca 0.40 -0.49 -0.03 0.00 -0.13 0.00 0.00 55.73 55.49 2jra s ARG 56 Cb -0.09 -2.73 -0.03 0.00 -1.56 0.00 0.00 34.95 30.54 2jra s ARG 56 CO 0.27 0.60 0.01 -1.17 -0.81 0.00 0.00 175.30 174.20 2jra s LEU 57 N -0.63 3.61 0.82 -0.88 2.96 -0.07 -0.90 118.68 123.59 2jra s LEU 57 Ca 0.10 0.13 -0.05 0.00 -0.22 0.00 0.00 54.13 54.09 2jra s LEU 57 Cb -0.12 -1.84 0.17 0.00 0.50 0.00 0.00 46.19 44.90 2jra s LEU 57 CO 0.02 0.35 1.12 0.42 -1.32 0.00 0.00 176.35 176.94 2jra s THR 58 N -0.69 2.01 -0.84 3.68 -4.23 -0.18 -4.83 115.64 110.56 2jra s THR 58 Ca 0.11 -0.44 -0.26 0.00 -1.18 0.00 0.00 61.69 59.92 2jra s THR 58 Cb -0.12 -2.58 -0.23 0.00 1.34 0.00 0.00 72.50 70.92 2jra s THR 58 CO 0.02 0.00 1.94 -1.20 -0.54 0.00 0.00 174.62 174.84 2jra n SER 59 N -3.18 1.77 0.00 3.99 7.64 -1.26 -4.00 113.62 118.58 2jra n SER 59 Ca 0.17 -2.56 0.00 0.00 1.01 0.00 0.00 58.87 57.49 2jra n SER 59 Cb 0.60 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 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 8.03 0.00 0.00 1.43 1.13 -1.26 -4.80 117.38 121.91 2jra n GLN 60 Ca 0.44 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.50 2jra n GLN 60 Cb 0.45 -3.95 0.00 0.00 0.11 0.00 0.00 30.24 26.85 2jra n GLN 60 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2jra n ASN 61 N 0.00 0.00 -0.99 1.08 5.15 -1.26 -5.04 115.26 114.21 2jra n ASN 61 Ca 0.00 0.66 0.00 0.00 -0.60 0.00 0.00 54.58 54.64 2jra n ASN 61 Cb 0.00 -0.44 0.00 0.00 -0.53 0.00 0.00 39.78 38.81 2jra n ASN 61 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 2jra n LYS 62 N -1.83 0.00 -4.14 1.20 2.85 -1.26 -5.02 118.16 109.96 2jra n LYS 62 Ca 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.17 2jra n LYS 62 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 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 2.50 0.25 -5.58 2.34 -1.26 -1.01 118.68 115.91 2jra s LEU 63 Ca 0.00 -1.00 -0.10 0.00 0.06 0.00 0.00 54.13 53.09 2jra s LEU 63 Cb 0.00 0.04 -0.01 0.00 -0.56 0.00 0.00 46.19 45.66 2jra s LEU 63 CO 0.00 -0.52 0.43 0.27 -1.06 0.00 0.00 176.35 175.48 2jra s ILE 64 N -3.71 0.00 0.02 1.48 -5.25 -0.08 -5.00 121.20 108.67 2jra s ILE 64 Ca 0.10 -1.50 0.00 0.00 -0.99 0.00 0.00 60.65 58.26 2jra s ILE 64 Cb 0.06 -2.28 -0.04 0.00 2.95 0.00 0.00 42.46 43.15 2jra s ILE 64 CO -0.07 0.00 0.10 -0.22 -1.79 0.00 0.00 174.94 172.96 2jra s LEU 65 N -3.05 3.93 0.14 0.37 2.96 -1.26 -1.37 118.68 120.40 2jra s LEU 65 Ca 0.25 0.12 -0.24 0.00 -0.22 0.00 0.00 54.13 54.05 2jra s LEU 65 Cb 0.00 -2.40 0.07 0.00 0.50 0.00 0.00 46.19 44.36 2jra s LEU 65 CO 0.10 0.24 0.74 0.28 -1.32 0.00 0.00 176.35 176.38 2jra s THR 66 N -1.28 0.00 0.00 3.68 -1.32 -0.25 -4.94 115.64 111.52 2jra s THR 66 Ca 0.26 -0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 2jra s THR 66 Cb -0.12 -1.31 0.00 0.00 -1.51 0.00 0.00 72.50 69.56 2jra s THR 66 CO 0.18 0.00 0.07 0.29 -2.21 0.00 0.00 174.62 172.94