#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jar n ARG 5 N 0.00 0.04 -1.28 1.97 1.74 -1.26 -4.98 116.66 112.89 2jar n ARG 5 Ca 0.00 0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.76 2jar n ARG 5 Cb 0.00 -1.03 0.11 0.00 -1.02 0.00 0.00 32.46 30.52 2jar n ARG 5 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2jar s PRO 6 N -1.02 1.94 -0.13 5.56 0.02 -1.26 -5.01 135.00 135.10 2jar s PRO 6 Ca 0.63 1.66 -0.20 0.00 0.02 0.00 0.00 61.00 63.11 2jar s PRO 6 Cb -0.87 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 31.79 2jar s PRO 6 CO 0.57 -1.96 0.58 0.08 -0.33 0.00 0.00 177.00 175.94 2jar s VAL 7 N -2.20 5.10 -0.24 3.83 1.01 -0.30 -4.92 120.40 122.68 2jar s VAL 7 Ca 0.72 1.15 -0.10 0.00 0.00 0.00 0.00 61.98 63.75 2jar s VAL 7 Cb -0.27 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 2jar s VAL 7 CO 0.48 0.24 0.14 -0.60 0.00 0.00 0.00 175.10 175.36 2jar s ARG 8 N 1.06 3.96 -0.23 2.72 3.52 -1.26 -0.93 118.95 127.80 2jar s ARG 8 Ca 0.30 -0.33 -0.04 0.00 -0.13 0.00 0.00 55.73 55.53 2jar s ARG 8 Cb -0.16 -3.49 -0.01 0.00 -1.56 0.00 0.00 34.95 29.74 2jar s ARG 8 CO 0.12 -0.00 -0.04 0.08 -0.81 0.00 0.00 175.30 174.65 2jar s VAL 9 N 1.21 3.39 -0.25 7.11 1.01 0.28 -0.51 120.40 132.63 2jar s VAL 9 Ca 0.07 -0.53 -0.19 0.00 0.00 0.00 0.00 61.98 61.33 2jar s VAL 9 Cb -0.14 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 2jar s VAL 9 CO 0.05 0.39 0.57 -0.76 0.00 0.00 0.00 175.10 175.35 2jar s LEU 10 N 1.47 4.06 -0.22 3.92 1.43 0.71 -1.42 118.68 128.63 2jar s LEU 10 Ca 0.05 0.62 -0.03 0.00 -1.03 0.00 0.00 54.13 53.74 2jar s LEU 10 Cb -0.15 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.32 2jar s LEU 10 CO -0.03 -0.32 -0.06 -0.69 0.23 0.00 0.00 176.35 175.49 2jar s VAL 11 N 2.35 3.19 0.73 -1.59 1.01 0.32 -0.83 120.40 125.58 2jar s VAL 11 Ca 0.24 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.45 2jar s VAL 11 Cb -0.16 -2.48 0.04 0.00 0.00 0.00 0.00 36.38 33.78 2jar s VAL 11 CO 0.09 0.38 1.15 0.21 0.00 0.00 0.00 175.10 176.94 2jar s ASN 12 N 1.44 4.43 0.00 3.32 3.04 -0.31 -0.66 114.94 126.20 2jar s ASN 12 Ca 0.05 2.16 0.00 0.00 0.04 0.00 0.00 52.86 55.11 2jar s ASN 12 Cb -0.15 -2.57 0.00 0.00 -1.54 0.00 0.00 41.25 37.00 2jar s ASN 12 CO -0.04 -2.09 0.00 0.80 -3.04 0.00 0.00 177.10 172.72 2jar n MET 13 N -2.83 0.00 -1.98 0.43 0.00 -1.22 -3.60 117.12 107.92 2jar n MET 13 Ca 0.12 0.10 -0.42 0.00 -0.00 0.00 0.00 57.70 57.50 2jar n MET 13 Cb 0.51 -0.60 -0.03 0.00 0.00 0.00 0.00 33.22 33.10 2jar n MET 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2jar s ASP 14 N -3.78 6.63 0.00 6.12 1.01 -1.26 -0.52 116.67 124.86 2jar s ASP 14 Ca 0.00 2.59 0.00 0.00 0.71 0.00 0.00 52.55 55.85 2jar s ASP 14 Cb 0.00 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.33 2jar s ASP 14 CO 0.00 -0.78 0.00 0.61 0.21 0.00 0.00 175.17 175.21 2jar n GLY 15 N 3.46 2.20 1.25 0.21 0.00 0.17 -4.68 105.19 107.80 2jar n GLY 15 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2jar n GLY 15 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jar n VAL 16 N -2.00 0.07 -0.12 1.61 0.31 -0.93 -4.77 118.33 112.50 2jar n VAL 16 Ca 0.00 0.02 -0.19 0.00 -0.01 0.00 0.00 64.34 64.16 2jar n VAL 16 Cb 0.00 -1.26 -0.10 0.00 -0.91 0.00 0.00 33.84 31.56 2jar n VAL 16 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2jar n LEU 17 N -2.92 2.68 -4.52 7.52 4.77 0.32 -4.65 117.00 120.19 2jar n LEU 17 Ca 0.00 -0.02 -0.34 0.00 -0.03 0.00 0.00 56.01 55.63 2jar n LEU 17 Cb 0.35 -0.81 -0.12 0.00 -2.33 0.00 0.00 43.42 40.51 2jar n LEU 17 CO 0.00 0.81 -0.37 0.00 -1.33 0.00 0.00 177.39 176.49 2jar s ALA 18 N -2.47 2.96 -1.27 -1.18 0.00 -0.38 -0.23 121.76 119.18 2jar s ALA 18 Ca -0.33 -0.85 -0.15 0.00 0.00 0.00 0.00 51.96 50.62 2jar s ALA 18 Cb 0.10 -1.38 0.12 0.00 0.00 0.00 0.00 23.12 21.96 2jar s ALA 18 CO 0.52 0.38 1.63 -3.47 0.00 0.00 0.00 175.76 174.82 2jar n ASP 19 N 2.95 5.03 -0.04 0.00 -0.08 0.64 -0.65 116.55 124.39 2jar n ASP 19 Ca -0.18 -2.95 -0.12 0.00 -1.51 0.00 0.00 54.79 50.03 2jar n ASP 19 Cb 0.53 -1.65 -0.06 0.00 2.34 0.00 0.00 41.12 42.28 2jar n ASP 19 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2jar h PHE 20 N 7.17 0.22 -0.57 -0.67 3.04 -1.93 -2.46 116.94 121.74 2jar h PHE 20 Ca 0.39 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.32 2jar h PHE 20 Cb 0.84 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 39.26 2jar h PHE 20 CO 1.27 0.39 0.38 0.93 -2.02 0.00 0.00 178.31 179.25 2jar h GLU 21 N -0.01 0.75 -0.51 1.11 4.39 -1.99 0.13 114.58 118.45 2jar h GLU 21 Ca 0.04 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.56 2jar h GLU 21 Cb 0.28 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2jar h GLU 21 CO 0.00 0.50 -0.18 0.77 -1.16 0.00 0.00 179.01 178.95 2jar h SER 22 N 0.77 1.04 -0.60 1.42 0.02 -1.97 -1.73 113.55 112.51 2jar h SER 22 Ca 0.21 -0.38 -0.08 0.00 -0.84 0.00 0.00 61.79 60.70 2jar h SER 22 Cb -0.08 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.15 2jar h SER 22 CO -0.04 1.18 0.08 1.23 -1.14 0.00 0.00 176.83 178.13 2jar h GLY 23 N 0.89 1.11 0.83 -3.77 0.00 -1.16 -1.91 103.07 99.05 2jar h GLY 23 Ca 0.12 -0.74 -0.06 0.00 0.00 0.00 0.00 47.33 46.65 2jar h GLY 23 CO 0.06 0.69 -0.10 -2.00 0.00 0.00 0.00 176.54 175.18 2jar h LEU 24 N 0.96 0.48 -0.29 3.11 5.85 -0.60 -1.66 115.31 123.16 2jar h LEU 24 Ca 0.19 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 2jar h LEU 24 Cb 0.45 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2jar h LEU 24 CO 0.02 0.78 0.12 0.25 -0.34 0.00 0.00 178.44 179.27 2jar h LEU 25 N 0.18 0.40 -0.87 2.25 5.85 -1.28 0.04 115.31 121.87 2jar h LEU 25 Ca 0.05 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 2jar h LEU 25 Cb 0.59 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 2jar h LEU 25 CO 0.03 0.44 0.36 1.56 -0.34 0.00 0.00 178.44 180.49 2jar h GLN 26 N 0.33 1.18 -0.37 1.25 4.20 -1.37 -0.51 115.11 119.82 2jar h GLN 26 Ca 0.10 -0.19 -0.12 0.00 0.06 0.00 0.00 58.65 58.50 2jar h GLN 26 Cb 0.16 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2jar h GLN 26 CO -0.01 0.93 -0.26 0.78 -0.67 0.00 0.00 178.83 179.59 2jar h GLY 27 N 1.18 0.84 0.81 3.46 0.00 -1.18 -2.21 103.07 105.96 2jar h GLY 27 Ca 0.27 -0.74 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 2jar h GLY 27 CO -0.03 0.68 -0.11 -2.75 0.00 0.00 0.00 176.54 174.33 2jar h PHE 28 N 0.66 0.49 -0.31 5.60 3.04 -0.44 -1.53 116.94 124.46 2jar h PHE 28 Ca 0.08 -0.13 -0.08 0.00 3.98 0.00 0.00 57.97 61.83 2jar h PHE 28 Cb 0.79 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 39.17 2jar h PHE 28 CO 0.04 0.73 -0.14 0.00 -2.02 0.00 0.00 178.31 176.92 2jar h ARG 29 N 0.12 0.54 -0.26 1.11 3.08 -1.12 0.41 114.38 118.27 2jar h ARG 29 Ca 0.04 -0.17 -0.12 0.00 0.07 0.00 0.00 59.98 59.81 2jar h ARG 29 Cb 0.60 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 2jar h ARG 29 CO 0.03 0.67 -0.32 -0.09 -1.07 0.00 0.00 179.97 179.19 2jar h ARG 30 N 0.50 0.67 0.16 0.04 2.43 -1.38 -3.03 114.38 113.77 2jar h ARG 30 Ca 0.09 -0.38 -0.32 0.00 -0.81 0.00 0.00 59.98 58.57 2jar h ARG 30 Cb 0.53 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.11 2jar h ARG 30 CO 0.03 0.99 -1.52 -0.09 -1.51 0.00 0.00 179.97 177.87 2jar h ARG 31 N 0.39 0.34 -2.23 0.20 2.43 -1.13 -3.39 114.38 110.99 2jar h ARG 31 Ca 0.03 -0.59 -0.59 0.00 -0.81 0.00 0.00 59.98 58.03 2jar h ARG 31 Cb 0.90 0.22 -0.42 0.00 -0.42 0.00 0.00 29.97 30.25 2jar h ARG 31 CO 0.08 1.24 -0.67 1.19 -1.51 0.00 0.00 179.97 180.30 2jar n PHE 32 N -3.55 3.60 0.29 2.20 3.72 0.14 -4.94 117.46 118.93 2jar n PHE 32 Ca -0.17 -4.03 0.16 0.00 -0.05 0.00 0.00 57.45 53.36 2jar n PHE 32 Cb 1.06 -0.50 0.76 0.00 -0.94 0.00 0.00 39.48 39.85 2jar n PHE 32 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2jar h PRO 33 N 3.40 0.00 -0.01 -1.08 0.13 -1.71 -2.22 132.00 130.51 2jar h PRO 33 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2jar h PRO 33 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 2jar h PRO 33 CO 0.80 0.00 -0.55 0.39 -0.23 0.00 0.00 178.00 178.41 2jar n GLU 34 N -2.65 0.89 -3.16 0.86 -0.58 -1.26 -4.97 120.64 109.76 2jar n GLU 34 Ca -0.01 -0.71 -0.31 0.00 -0.42 0.00 0.00 57.16 55.72 2jar n GLU 34 Cb 0.15 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.49 2jar n GLU 34 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2jar s GLU 35 N -2.60 3.83 0.46 3.49 0.41 -0.84 -5.05 118.70 118.40 2jar s GLU 35 Ca 0.17 0.40 -0.24 0.00 -0.41 0.00 0.00 54.97 54.89 2jar s GLU 35 Cb 0.18 -2.51 -0.07 0.00 -1.78 0.00 0.00 34.13 29.94 2jar s GLU 35 CO 0.63 0.15 1.30 -1.25 -0.49 0.00 0.00 175.26 175.60 2jar s PRO 36 N -3.27 3.67 0.37 0.39 0.04 -1.26 -5.04 135.00 129.90 2jar s PRO 36 Ca 0.50 2.11 0.07 0.00 0.04 0.00 0.00 61.00 63.72 2jar s PRO 36 Cb -0.11 -2.53 -0.07 0.00 0.04 0.00 0.00 34.50 31.83 2jar s PRO 36 CO 0.24 -0.73 -0.00 -3.38 0.04 0.00 0.00 177.00 173.17 2jar s HIS 37 N -1.33 2.35 -0.37 0.56 -3.43 -1.26 -5.11 115.29 106.69 2jar s HIS 37 Ca 0.63 -0.70 -0.07 0.00 -0.80 0.00 0.00 55.06 54.12 2jar s HIS 37 Cb -0.37 -1.56 0.06 0.00 -1.43 0.00 0.00 32.58 29.28 2jar s HIS 37 CO 0.46 0.37 0.17 0.08 -2.00 0.00 0.00 174.74 173.82 2jar s VAL 38 N -2.83 3.91 0.55 -5.38 1.01 -1.26 -5.09 120.40 111.32 2jar s VAL 38 Ca 0.34 -1.30 -0.20 0.00 0.00 0.00 0.00 61.98 60.82 2jar s VAL 38 Cb 0.08 -3.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.08 2jar s VAL 38 CO 0.17 -0.34 1.06 -2.65 0.00 0.00 0.00 175.10 173.34 2jar n PRO 39 N 4.83 1.16 -0.26 2.72 -0.02 -1.26 -4.82 135.00 137.36 2jar n PRO 39 Ca -0.11 0.44 0.04 0.00 -2.02 0.00 0.00 63.50 61.85 2jar n PRO 39 Cb 0.44 -2.23 0.18 0.00 -0.02 0.00 0.00 33.50 31.87 2jar n PRO 39 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2jar h LEU 40 N 0.91 0.35 -2.43 2.45 3.38 -1.98 0.14 115.31 118.12 2jar h LEU 40 Ca -0.48 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 2jar h LEU 40 Cb 1.35 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 2jar h LEU 40 CO 0.53 0.16 -0.03 -0.08 0.09 0.00 0.00 178.44 179.11 2jar h GLU 41 N 0.50 0.00 -0.01 1.13 4.22 -1.92 -1.05 114.58 117.45 2jar h GLU 41 Ca 0.40 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.84 2jar h GLU 41 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2jar h GLU 41 CO -0.36 0.03 -0.21 1.04 -2.18 0.00 0.00 179.01 177.33 2jar n GLN 42 N -3.58 1.11 -1.78 1.92 6.02 0.45 -4.92 117.38 116.60 2jar n GLN 42 Ca -0.03 -0.69 -0.42 0.00 -0.01 0.00 0.00 57.00 55.85 2jar n GLN 42 Cb 0.12 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 2jar n GLN 42 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2jar s ARG 43 N -2.36 4.14 -0.04 -1.09 1.81 -0.40 -4.95 118.95 116.06 2jar s ARG 43 Ca 0.27 2.55 0.01 0.00 -1.72 0.00 0.00 55.73 56.85 2jar s ARG 43 Cb 0.20 -3.09 0.02 0.00 -0.45 0.00 0.00 34.95 31.63 2jar s ARG 43 CO 0.47 -0.71 -0.04 1.03 -0.68 0.00 0.00 175.30 175.36 2jar s ARG 44 N 1.07 0.75 0.00 3.54 1.81 -1.26 -4.07 118.95 120.78 2jar s ARG 44 Ca 0.73 -0.11 0.00 0.00 -1.72 0.00 0.00 55.73 54.63 2jar s ARG 44 Cb -0.48 -0.76 0.00 0.00 -0.45 0.00 0.00 34.95 33.26 2jar s ARG 44 CO 0.33 -0.05 0.00 0.41 -0.68 0.00 0.00 175.30 175.31 2jar n GLY 45 N 3.88 -1.92 0.19 -3.53 0.00 -0.78 -4.80 105.19 98.23 2jar n GLY 45 Ca -0.24 -1.37 -0.07 0.00 0.00 0.00 0.00 46.02 44.34 2jar n GLY 45 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2jar h PHE 46 N 0.00 0.50 -3.62 1.61 3.57 -1.96 -3.40 116.94 113.64 2jar h PHE 46 Ca 0.00 0.01 -0.62 0.00 3.53 0.00 0.00 57.97 60.90 2jar h PHE 46 Cb 0.00 -0.16 -0.12 0.00 2.79 0.00 0.00 35.95 38.45 2jar h PHE 46 CO 0.00 0.30 0.41 -0.51 -2.23 0.00 0.00 178.31 176.28 2jar s LEU 47 N -10.19 4.18 0.33 0.59 1.43 -1.26 -4.91 118.68 108.85 2jar s LEU 47 Ca -0.13 -0.00 0.08 0.00 -1.03 0.00 0.00 54.13 53.05 2jar s LEU 47 Cb 0.12 -3.02 0.58 0.00 0.03 0.00 0.00 46.19 43.90 2jar s LEU 47 CO 0.73 -0.93 1.78 0.00 0.23 0.00 0.00 176.35 178.16 2jar h ALA 48 N 8.94 1.26 -0.71 4.21 0.00 -1.91 -3.00 119.26 128.05 2jar h ALA 48 Ca -0.25 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.28 2jar h ALA 48 Cb 1.08 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2jar h ALA 48 CO 0.97 0.51 0.29 -2.95 0.00 0.00 0.00 179.25 178.07 2jar h ASN 49 N 0.17 0.95 0.13 0.00 -1.07 -1.91 -1.75 115.58 112.09 2jar h ASN 49 Ca 0.02 -0.13 -0.13 0.00 0.07 0.00 0.00 56.30 56.14 2jar h ASN 49 Cb 0.68 -0.24 -0.01 0.00 -2.07 0.00 0.00 38.32 36.67 2jar h ASN 49 CO 0.05 0.83 -0.44 -0.33 0.07 0.00 0.00 177.43 177.61 2jar h GLU 50 N 1.02 0.39 -0.21 4.14 5.08 -1.90 0.37 114.58 123.46 2jar h GLU 50 Ca 0.24 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2jar h GLU 50 Cb 0.18 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2jar h GLU 50 CO -0.02 0.76 -0.07 0.37 -1.00 0.00 0.00 179.01 179.05 2jar h GLN 51 N 0.32 0.43 -0.96 2.33 4.15 -1.32 -1.87 115.11 118.18 2jar h GLN 51 Ca 0.02 -0.17 -0.00 0.00 0.77 0.00 0.00 58.65 59.27 2jar h GLN 51 Cb 0.91 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.53 2jar h GLN 51 CO 0.08 0.68 0.60 1.88 -1.93 0.00 0.00 178.83 180.14 2jar h TYR 52 N 0.15 1.25 -0.21 3.99 0.05 -1.25 -2.43 116.97 118.51 2jar h TYR 52 Ca 0.05 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 2jar h TYR 52 Cb 0.54 -0.41 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 2jar h TYR 52 CO 0.06 0.81 -0.00 0.78 -1.05 0.00 0.00 178.16 178.76 2jar h GLY 53 N 1.32 0.33 2.00 3.88 0.00 -0.86 -1.51 103.07 108.23 2jar h GLY 53 Ca 0.35 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 2jar h GLY 53 CO -0.07 0.16 -0.11 0.00 0.00 0.00 0.00 176.54 176.52 2jar h ALA 54 N 1.70 0.95 0.01 3.60 0.00 -0.87 -2.60 119.26 122.05 2jar h ALA 54 Ca 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jar h ALA 54 Cb 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jar h ALA 54 CO 0.01 0.13 -0.00 1.25 0.00 0.00 0.00 179.25 180.63 2jar h LEU 55 N 0.00 -0.01 -7.07 0.00 5.85 -0.98 -3.46 115.31 109.64 2jar h LEU 55 Ca -0.00 -0.80 -0.01 0.00 0.84 0.00 0.00 57.88 57.90 2jar h LEU 55 Cb 0.92 0.00 -0.23 0.00 0.37 0.00 0.00 40.66 41.72 2jar h LEU 55 CO 0.01 0.82 -0.15 -0.60 -0.34 0.00 0.00 178.44 178.19 2jar s ARG 56 N -2.74 0.54 0.36 1.25 3.52 -0.64 -5.08 118.95 116.17 2jar s ARG 56 Ca -0.17 1.16 0.16 0.00 -0.13 0.00 0.00 55.73 56.75 2jar s ARG 56 Cb -0.02 0.31 1.09 0.00 -1.56 0.00 0.00 34.95 34.78 2jar s ARG 56 CO 0.65 -0.18 1.69 -1.35 -0.81 0.00 0.00 175.30 175.30 2jar h PRO 57 N 7.46 0.35 0.00 5.12 0.11 -1.71 -0.09 132.00 143.25 2jar h PRO 57 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2jar h PRO 57 Cb 1.17 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2jar h PRO 57 CO 0.17 0.23 0.00 -0.40 -0.21 0.00 0.00 178.00 177.79 2jar n ASP 58 N -4.89 0.42 0.20 -2.05 5.68 -1.26 -3.18 116.55 111.46 2jar n ASP 58 Ca 0.30 0.54 0.06 0.00 -0.50 0.00 0.00 54.79 55.20 2jar n ASP 58 Cb 0.97 -0.65 0.38 0.00 -1.14 0.00 0.00 41.12 40.68 2jar n ASP 58 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2jar h LEU 59 N 0.00 0.00 -0.46 -2.12 3.38 -1.24 -2.89 115.31 111.98 2jar h LEU 59 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2jar h LEU 59 Cb 0.61 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 2jar h LEU 59 CO 0.00 0.34 0.24 0.00 0.09 0.00 0.00 178.44 179.11 2jar h ALA 60 N 1.66 0.58 -0.18 1.53 0.00 -1.67 0.18 119.26 121.36 2jar h ALA 60 Ca -0.00 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 2jar h ALA 60 Cb 0.82 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2jar h ALA 60 CO 0.04 -0.11 -0.43 0.93 0.00 0.00 0.00 179.25 179.68 2jar h GLU 61 N 0.47 0.43 -0.01 0.00 3.07 -1.74 -1.42 114.58 115.38 2jar h GLU 61 Ca 0.20 -0.22 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2jar h GLU 61 Cb 0.10 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.01 2jar h GLU 61 CO -0.13 0.79 -0.00 0.87 -1.40 0.00 0.00 179.01 179.13 2jar h LYS 62 N 0.35 0.02 -0.66 2.33 1.57 -1.27 -1.46 116.57 117.44 2jar h LYS 62 Ca 0.03 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2jar h LYS 62 Cb 0.91 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.19 2jar h LYS 62 CO 0.08 0.43 0.34 -0.24 -0.57 0.00 0.00 179.45 179.49 2jar h VAL 63 N -0.40 1.22 -0.71 0.50 3.04 -0.99 -2.20 116.25 116.71 2jar h VAL 63 Ca 0.00 -0.57 0.04 0.00 -1.01 0.00 0.00 66.70 65.16 2jar h VAL 63 Cb 0.43 0.38 -0.04 0.00 -2.01 0.00 0.00 31.29 30.04 2jar h VAL 63 CO 0.00 0.24 0.47 0.00 -1.01 0.00 0.00 177.57 177.27 2jar h ALA 64 N 1.16 1.63 0.00 3.17 0.00 -1.24 -1.73 119.26 122.25 2jar h ALA 64 Ca 0.23 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2jar h ALA 64 Cb 0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2jar h ALA 64 CO -0.03 0.28 -0.09 0.66 0.00 0.00 0.00 179.25 180.06 2jar h SER 65 N 0.82 0.00 0.14 0.00 4.64 -0.61 -0.87 113.55 117.67 2jar h SER 65 Ca 0.29 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.60 2jar h SER 65 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2jar h SER 65 CO -0.09 0.09 -0.07 0.58 -0.87 0.00 0.00 176.83 176.48 2jar h VAL 66 N 0.00 1.01 0.00 0.95 2.07 -1.18 -2.76 116.25 116.34 2jar h VAL 66 Ca -0.00 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.67 2jar h VAL 66 Cb 0.25 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2jar h VAL 66 CO 0.01 0.19 0.00 0.00 0.02 0.00 0.00 177.57 177.80 2jar n TYR 67 N -4.99 0.00 1.10 1.57 4.11 -0.92 -2.33 117.16 115.70 2jar n TYR 67 Ca -0.09 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 57.94 2jar n TYR 67 Cb 0.24 -0.45 0.33 0.00 -0.00 0.00 0.00 39.34 39.45 2jar n TYR 67 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 2jar n GLU 68 N -1.45 0.30 -2.55 -3.48 1.02 -0.38 -4.78 120.64 109.32 2jar n GLU 68 Ca 0.08 -0.17 -0.37 0.00 -0.02 0.00 0.00 57.16 56.68 2jar n GLU 68 Cb 0.29 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.17 2jar n GLU 68 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2jar s SER 69 N -2.81 6.89 0.20 1.62 0.01 -0.98 -4.78 113.70 113.84 2jar s SER 69 Ca 0.16 2.06 -0.32 0.00 1.31 0.00 0.00 55.95 59.16 2jar s SER 69 Cb 0.18 -2.59 -0.15 0.00 0.21 0.00 0.00 66.02 63.67 2jar s SER 69 CO 0.62 -0.40 1.19 -2.65 0.41 0.00 0.00 173.24 172.41 2jar n PRO 70 N 0.18 1.37 0.00 12.44 -0.02 -1.26 -2.35 135.00 145.36 2jar n PRO 70 Ca 0.04 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2jar n PRO 70 Cb 0.49 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 2jar n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jar n GLY 71 N 1.92 2.66 0.31 -1.23 0.00 -1.26 -4.93 105.19 102.66 2jar n GLY 71 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 2jar n GLY 71 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2jar h PHE 72 N 0.00 -0.72 -0.43 1.61 3.57 -1.76 -1.76 116.94 117.45 2jar h PHE 72 Ca 0.00 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 2jar h PHE 72 Cb 0.00 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2jar h PHE 72 CO 0.00 -0.41 -0.29 0.74 -2.23 0.00 0.00 178.31 176.12 2jar h PHE 73 N -0.66 1.08 -0.86 0.41 0.04 -1.82 -3.13 116.94 112.01 2jar h PHE 73 Ca -0.04 -0.28 0.16 0.00 2.80 0.00 0.00 57.97 60.60 2jar h PHE 73 Cb 0.55 -0.24 -0.10 0.00 2.20 0.00 0.00 35.95 38.36 2jar h PHE 73 CO -0.11 1.10 0.44 1.25 -0.60 0.00 0.00 178.31 180.38 2jar h LEU 74 N 0.78 0.52 -2.06 1.54 5.85 -1.71 -3.01 115.31 117.23 2jar h LEU 74 Ca 0.09 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2jar h LEU 74 Cb 0.86 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.91 2jar h LEU 74 CO 0.08 0.20 0.00 0.59 -0.34 0.00 0.00 178.44 178.97 2jar n ASN 75 N -4.88 3.08 -4.72 1.25 4.13 -0.68 -4.70 115.26 108.74 2jar n ASN 75 Ca 0.18 -1.94 -0.42 0.00 1.68 0.00 0.00 54.58 54.07 2jar n ASN 75 Cb 0.46 -0.22 -0.01 0.00 -1.54 0.00 0.00 39.78 38.47 2jar n ASN 75 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2jar n LEU 76 N 1.25 3.87 -4.81 3.41 4.77 -1.14 -4.96 117.00 119.38 2jar n LEU 76 Ca 0.19 1.20 -0.33 0.00 -0.03 0.00 0.00 56.01 57.03 2jar n LEU 76 Cb 0.55 -1.52 -0.04 0.00 -2.33 0.00 0.00 43.42 40.07 2jar n LEU 76 CO 0.15 -0.27 0.69 -1.61 -1.33 0.00 0.00 177.39 175.03 2jar s GLU 77 N -1.60 3.92 0.53 3.23 2.02 -1.26 -4.81 118.70 120.72 2jar s GLU 77 Ca 0.57 1.25 -0.21 0.00 0.02 0.00 0.00 54.97 56.61 2jar s GLU 77 Cb -0.55 -2.12 -0.05 0.00 0.10 0.00 0.00 34.13 31.51 2jar s GLU 77 CO 0.60 -0.32 1.23 -2.14 0.02 0.00 0.00 175.26 174.64 2jar s PRO 78 N -3.31 3.32 0.37 0.39 0.02 -1.26 -0.26 135.00 134.27 2jar s PRO 78 Ca 0.65 1.90 -0.28 0.00 0.02 0.00 0.00 61.00 63.28 2jar s PRO 78 Cb -0.14 -2.19 -0.11 0.00 0.02 0.00 0.00 34.50 32.09 2jar s PRO 78 CO 0.19 -0.94 1.47 0.42 -0.33 0.00 0.00 177.00 177.81 2jar s ILE 79 N -1.51 2.12 0.13 2.83 -1.09 0.67 -4.59 121.20 119.75 2jar s ILE 79 Ca 0.71 0.12 -0.34 0.00 -2.23 0.00 0.00 60.65 58.90 2jar s ILE 79 Cb -0.32 -3.07 -0.14 0.00 -1.58 0.00 0.00 42.46 37.34 2jar s ILE 79 CO 0.37 0.03 1.56 -2.65 -1.23 0.00 0.00 174.94 173.02 2jar n PRO 80 N 0.48 1.97 -0.48 2.79 -0.02 -1.26 -1.75 135.00 136.73 2jar n PRO 80 Ca 0.01 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2jar n PRO 80 Cb 0.40 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 2jar n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jar n GLY 81 N 3.34 1.89 0.19 -1.23 0.00 -1.26 -4.57 105.19 103.55 2jar n GLY 81 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 2jar n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jar h ALA 82 N 0.00 0.42 -0.28 4.61 0.00 -1.65 -1.31 119.26 121.05 2jar h ALA 82 Ca 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2jar h ALA 82 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2jar h ALA 82 CO 0.00 0.26 -0.04 -0.07 0.00 0.00 0.00 179.25 179.40 2jar h LEU 83 N 0.36 0.52 -0.08 0.00 3.38 -1.91 0.13 115.31 117.72 2jar h LEU 83 Ca 0.07 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.72 2jar h LEU 83 Cb 0.59 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2jar h LEU 83 CO 0.03 0.74 -0.04 0.44 0.09 0.00 0.00 178.44 179.71 2jar h ASP 84 N 0.29 -0.12 -0.38 -0.43 3.45 -1.95 -1.86 116.42 115.42 2jar h ASP 84 Ca 0.07 0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.55 2jar h ASP 84 Cb 0.50 0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.32 2jar h ASP 84 CO 0.02 -0.05 0.19 0.00 -1.57 0.00 0.00 179.24 177.83 2jar h ALA 85 N 1.04 0.49 -0.54 3.45 0.00 -1.05 -2.01 119.26 120.65 2jar h ALA 85 Ca 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2jar h ALA 85 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2jar h ALA 85 CO -0.10 0.04 0.23 1.25 0.00 0.00 0.00 179.25 180.67 2jar h LEU 86 N 0.48 0.74 -0.50 0.00 5.85 -0.89 0.12 115.31 121.11 2jar h LEU 86 Ca 0.13 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.74 2jar h LEU 86 Cb 0.10 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2jar h LEU 86 CO -0.02 0.70 0.24 0.03 -0.34 0.00 0.00 178.44 179.05 2jar h ARG 87 N 0.74 0.46 -0.31 1.25 3.08 -1.27 0.11 114.38 118.43 2jar h ARG 87 Ca 0.18 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.16 2jar h ARG 87 Cb 0.18 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2jar h ARG 87 CO -0.02 0.31 0.01 1.49 -1.07 0.00 0.00 179.97 180.69 2jar h GLU 88 N 0.48 0.54 -0.36 0.04 4.81 -1.12 -2.30 114.58 116.67 2jar h GLU 88 Ca 0.22 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2jar h GLU 88 Cb 0.14 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2jar h GLU 88 CO -0.16 0.67 0.21 1.98 -0.73 0.00 0.00 179.01 180.98 2jar h MET 89 N 0.35 0.42 -0.11 1.92 4.05 -0.59 -1.86 114.93 119.11 2jar h MET 89 Ca 0.09 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.50 2jar h MET 89 Cb 0.42 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 2jar h MET 89 CO 0.01 0.28 0.07 -0.97 0.23 0.00 0.00 176.91 176.54 2jar h ASN 90 N 0.44 0.08 0.55 1.39 -1.24 -0.72 -2.17 115.58 113.91 2jar h ASN 90 Ca 0.14 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.15 2jar h ASN 90 Cb -0.01 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.02 2jar h ASN 90 CO -0.06 0.06 -0.21 0.47 -1.29 0.00 0.00 177.43 176.40 2jar n ASP 91 N -4.52 0.41 -4.77 1.15 8.00 -0.74 -4.91 116.55 111.17 2jar n ASP 91 Ca -0.01 -0.24 -0.39 0.00 0.71 0.00 0.00 54.79 54.86 2jar n ASP 91 Cb 0.12 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.13 2jar n ASP 91 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2jar s MET 92 N -2.76 4.18 0.43 -1.24 -1.94 -0.82 -4.98 119.30 112.18 2jar s MET 92 Ca 0.20 1.95 -0.24 0.00 -1.71 0.00 0.00 55.69 55.89 2jar s MET 92 Cb 0.19 -2.84 -0.08 0.00 2.01 0.00 0.00 34.83 34.11 2jar s MET 92 CO 0.56 -0.24 1.17 -1.59 -0.01 0.00 0.00 175.02 174.91 2jar s LYS 93 N -2.07 3.90 -1.57 2.03 -2.85 -1.26 -3.17 119.74 114.75 2jar s LYS 93 Ca 0.54 1.81 -0.15 0.00 -1.00 0.00 0.00 55.97 57.17 2jar s LYS 93 Cb -0.34 -2.54 0.10 0.00 -2.06 0.00 0.00 37.83 33.00 2jar s LYS 93 CO 0.43 -0.44 0.95 -0.25 0.10 0.00 0.00 175.35 176.14 2jar n ASP 94 N -0.22 -4.51 -3.87 0.03 8.00 -1.26 -4.93 116.55 109.79 2jar n ASP 94 Ca 0.06 -0.83 -0.19 0.00 0.71 0.00 0.00 54.79 54.54 2jar n ASP 94 Cb 0.47 -3.64 -0.16 0.00 -0.02 0.00 0.00 41.12 37.77 2jar n ASP 94 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2jar s THR 95 N -3.30 0.40 -0.11 -3.53 2.01 -1.19 -1.15 115.64 108.77 2jar s THR 95 Ca 0.69 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.65 2jar s THR 95 Cb -0.35 -0.45 0.02 0.00 0.01 0.00 0.00 72.50 71.73 2jar s THR 95 CO 0.85 0.19 -0.14 -1.61 -0.69 0.00 0.00 174.62 173.23 2jar s GLU 96 N 0.91 2.07 -0.15 4.92 0.41 -0.10 -4.79 118.70 121.96 2jar s GLU 96 Ca -0.11 -0.50 -0.05 0.00 -0.41 0.00 0.00 54.97 53.90 2jar s GLU 96 Cb -0.14 -1.82 -0.03 0.00 -1.78 0.00 0.00 34.13 30.36 2jar s GLU 96 CO -0.00 -0.11 0.00 0.08 -0.49 0.00 0.00 175.26 174.74 2jar s VAL 97 N 1.14 4.28 0.14 2.63 1.01 -1.26 -0.56 120.40 127.77 2jar s VAL 97 Ca -0.04 -0.23 0.10 0.00 0.00 0.00 0.00 61.98 61.82 2jar s VAL 97 Cb -0.14 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2jar s VAL 97 CO -0.03 0.50 -0.25 -0.36 0.00 0.00 0.00 175.10 174.96 2jar s PHE 98 N 0.18 2.17 -0.26 5.22 0.40 -0.51 -4.87 117.98 120.31 2jar s PHE 98 Ca 0.01 -0.39 -0.10 0.00 -0.60 0.00 0.00 56.93 55.85 2jar s PHE 98 Cb -0.13 -1.15 -0.04 0.00 0.51 0.00 0.00 43.02 42.21 2jar s PHE 98 CO 0.02 0.34 0.14 0.42 0.70 0.00 0.00 175.22 176.84 2jar s ILE 99 N -1.27 4.95 -0.21 0.64 1.01 0.45 -0.52 121.20 126.24 2jar s ILE 99 Ca 0.14 0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.84 2jar s ILE 99 Cb -0.09 -3.34 0.03 0.00 0.01 0.00 0.00 42.46 39.07 2jar s ILE 99 CO 0.06 0.30 -0.15 0.00 0.00 0.00 0.00 174.94 175.15 2jar s THR 101 N 1.25 0.07 -0.30 0.00 -1.32 -0.72 -3.38 115.64 111.23 2jar s THR 101 Ca 0.00 -0.10 -0.13 0.00 -1.21 0.00 0.00 61.69 60.26 2jar s THR 101 Cb -0.16 -0.08 -0.03 0.00 -1.51 0.00 0.00 72.50 70.72 2jar s THR 101 CO -0.09 -0.02 0.28 -0.89 -2.21 0.00 0.00 174.62 171.69 2jar s THR 102 N -0.12 5.24 0.51 5.08 2.01 -1.25 -1.84 115.64 125.28 2jar s THR 102 Ca -0.01 0.16 -0.16 0.00 0.31 0.00 0.00 61.69 61.99 2jar s THR 102 Cb -0.01 -3.67 -0.08 0.00 0.01 0.00 0.00 72.50 68.76 2jar s THR 102 CO -0.00 0.10 0.98 -2.16 -0.69 0.00 0.00 174.62 172.86 2jar s PRO 103 N 1.88 3.94 0.52 4.92 0.04 -1.26 -5.01 135.00 140.03 2jar s PRO 103 Ca 0.10 0.94 -0.22 0.00 0.04 0.00 0.00 61.00 61.86 2jar s PRO 103 Cb -0.16 -2.14 -0.06 0.00 0.04 0.00 0.00 34.50 32.17 2jar s PRO 103 CO 0.11 -0.27 1.24 1.28 0.04 0.00 0.00 177.00 179.40 2jar n LEU 104 N -1.59 4.64 0.17 -3.56 4.77 -1.26 -4.91 117.00 115.26 2jar n LEU 104 Ca 0.06 0.98 0.06 0.00 -0.03 0.00 0.00 56.01 57.08 2jar n LEU 104 Cb 0.54 -1.51 0.52 0.00 -2.33 0.00 0.00 43.42 40.64 2jar n LEU 104 CO 0.46 -0.91 1.02 -0.07 -1.33 0.00 0.00 177.39 176.57 2jar h LEU 105 N 1.40 0.14 -7.89 2.23 3.38 -2.05 -3.02 115.31 109.51 2jar h LEU 105 Ca -0.49 -0.01 -0.64 0.00 0.09 0.00 0.00 57.88 56.83 2jar h LEU 105 Cb 1.32 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.95 2jar h LEU 105 CO 0.56 0.18 2.05 -0.54 0.09 0.00 0.00 178.44 180.78 2jar s LYS 106 N -5.01 3.81 0.39 1.13 1.02 -1.26 -4.80 119.74 115.01 2jar s LYS 106 Ca -0.06 -1.86 0.27 0.00 0.02 0.00 0.00 55.97 54.34 2jar s LYS 106 Cb 0.17 -5.50 0.80 0.00 -0.52 0.00 0.00 37.83 32.78 2jar s LYS 106 CO 0.70 -2.44 1.76 0.10 -0.92 0.00 0.00 175.35 174.54 2jar h TYR 107 N 7.92 0.00 -0.81 3.18 -0.00 -1.92 -3.40 116.97 121.94 2jar h TYR 107 Ca 0.41 0.00 0.04 0.00 -0.00 0.00 0.00 58.73 59.18 2jar h TYR 107 Cb 0.88 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 37.57 2jar h TYR 107 CO 1.40 0.00 0.53 0.38 -0.00 0.00 0.00 178.16 180.47 2jar h ASP 108 N 0.00 0.85 -0.32 0.10 3.04 -1.88 -0.77 116.42 117.44 2jar h ASP 108 Ca 0.00 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 2jar h ASP 108 Cb 0.73 -0.19 0.00 0.00 -1.04 0.00 0.00 39.33 38.82 2jar h ASP 108 CO 0.00 0.58 0.00 1.41 -2.04 0.00 0.00 179.24 179.19 2jar n HIS 109 N -4.45 0.76 -0.06 4.15 8.25 -1.26 -4.67 115.22 117.95 2jar n HIS 109 Ca 0.11 -0.69 -0.11 0.00 -0.26 0.00 0.00 57.72 56.77 2jar n HIS 109 Cb 0.12 -0.18 -0.04 0.00 1.12 0.00 0.00 29.99 31.01 2jar n HIS 109 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jar h VAL 111 N -0.61 0.38 -0.79 0.00 2.07 -1.55 -1.06 116.25 114.69 2jar h VAL 111 Ca -0.17 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.24 2jar h VAL 111 Cb 0.92 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 2jar h VAL 111 CO -0.11 0.02 0.50 1.23 0.02 0.00 0.00 177.57 179.24 2jar h GLY 112 N -0.90 1.16 1.62 2.17 0.00 -1.85 -2.70 103.07 102.58 2jar h GLY 112 Ca -0.08 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 2jar h GLY 112 CO 0.13 0.30 -0.08 0.83 0.00 0.00 0.00 176.54 177.73 2jar h GLU 113 N 0.96 0.46 -0.59 4.80 5.08 -1.75 -1.35 114.58 122.19 2jar h GLU 113 Ca 0.33 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.49 2jar h GLU 113 Cb 0.06 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2jar h GLU 113 CO -0.13 0.55 0.06 0.87 -1.00 0.00 0.00 179.01 179.36 2jar h LYS 114 N 0.44 1.00 -0.37 2.33 1.57 -0.90 0.15 116.57 120.79 2jar h LYS 114 Ca 0.09 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 2jar h LYS 114 Cb 0.41 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2jar h LYS 114 CO 0.02 0.96 0.19 1.88 -0.57 0.00 0.00 179.45 181.93 2jar h TYR 115 N 0.89 0.52 -0.47 -1.35 -1.99 -1.16 -2.28 116.97 111.13 2jar h TYR 115 Ca 0.17 -0.02 -0.14 0.00 2.00 0.00 0.00 58.73 60.75 2jar h TYR 115 Cb 0.47 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 39.03 2jar h TYR 115 CO 0.03 0.43 -0.23 -0.09 -0.00 0.00 0.00 178.16 178.30 2jar h ARG 116 N 0.46 0.99 -0.34 4.88 2.43 -1.12 -1.65 114.38 120.02 2jar h ARG 116 Ca 0.13 -0.43 0.07 0.00 -0.81 0.00 0.00 59.98 58.93 2jar h ARG 116 Cb 0.09 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.55 2jar h ARG 116 CO -0.02 1.11 -0.11 2.35 -1.51 0.00 0.00 179.97 181.79 2jar h TRP 117 N 0.85 -0.24 -0.32 2.20 7.01 -0.59 0.41 115.95 125.27 2jar h TRP 117 Ca 0.11 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.15 2jar h TRP 117 Cb 0.81 0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 28.02 2jar h TRP 117 CO 0.05 -0.18 0.20 0.28 -2.79 0.00 0.00 178.44 176.01 2jar h VAL 118 N -0.03 1.05 -0.92 2.65 2.07 -1.21 0.66 116.25 120.52 2jar h VAL 118 Ca 0.17 -0.14 0.07 0.00 0.82 0.00 0.00 66.70 67.62 2jar h VAL 118 Cb 0.29 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 2jar h VAL 118 CO -0.37 0.07 0.58 -0.08 0.02 0.00 0.00 177.57 177.79 2jar h GLU 119 N 0.40 1.00 0.20 1.57 4.81 -0.80 0.14 114.58 121.91 2jar h GLU 119 Ca 0.12 -0.06 -0.32 0.00 -0.13 0.00 0.00 59.36 58.97 2jar h GLU 119 Cb -0.02 -0.23 0.02 0.00 0.63 0.00 0.00 28.75 29.16 2jar h GLU 119 CO -0.05 0.66 -1.53 1.96 -0.73 0.00 0.00 179.01 179.33 2jar h GLN 120 N 1.03 0.42 0.00 1.92 4.20 -0.66 -2.87 115.11 119.16 2jar h GLN 120 Ca 0.41 -0.72 -0.15 0.00 0.06 0.00 0.00 58.65 58.25 2jar h GLN 120 Cb 0.21 0.27 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 2jar h GLN 120 CO -0.19 1.35 -1.26 -0.91 -0.67 0.00 0.00 178.83 177.15 2jar h ASN 121 N 0.02 0.00 0.00 1.46 4.21 -0.87 -3.43 115.58 116.97 2jar h ASN 121 Ca -0.29 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.22 2jar h ASN 121 Cb 2.04 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.24 2jar h ASN 121 CO 0.20 0.53 -0.15 0.18 -1.29 0.00 0.00 177.43 176.89 2jar n LEU 122 N -2.92 0.87 0.00 1.61 4.77 -0.10 -4.98 117.00 116.25 2jar n LEU 122 Ca -0.07 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2jar n LEU 122 Cb 0.80 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2jar n LEU 122 CO 0.42 -0.60 0.00 0.61 -1.33 0.00 0.00 177.39 176.49 2jar n GLY 123 N 3.05 3.52 0.42 -0.72 0.00 -0.41 -4.91 105.19 106.14 2jar n GLY 123 Ca -0.02 -1.36 0.22 0.00 0.00 0.00 0.00 46.02 44.86 2jar n GLY 123 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jar h PRO 124 N 0.00 0.27 -0.98 1.61 0.11 -1.85 -0.76 132.00 130.41 2jar h PRO 124 Ca 0.00 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.10 2jar h PRO 124 Cb 0.00 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.00 2jar h PRO 124 CO 0.00 0.18 0.64 1.49 -0.21 0.00 0.00 178.00 180.10 2jar h GLU 125 N 0.27 1.29 0.00 1.05 4.81 -1.95 -2.22 114.58 117.83 2jar h GLU 125 Ca 0.46 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.53 2jar h GLU 125 Cb 1.35 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 2jar h GLU 125 CO -0.13 0.86 -0.36 0.74 -0.73 0.00 0.00 179.01 179.39 2jar h PHE 126 N 1.33 0.00 -0.67 0.92 0.04 -1.48 -2.84 116.94 114.23 2jar h PHE 126 Ca 0.36 0.00 0.02 0.00 2.80 0.00 0.00 57.97 61.14 2jar h PHE 126 Cb -0.14 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 37.97 2jar h PHE 126 CO -0.00 0.36 0.45 0.28 -0.60 0.00 0.00 178.31 178.79 2jar h VAL 127 N 0.00 1.15 0.00 -0.55 2.07 -1.26 -0.82 116.25 116.84 2jar h VAL 127 Ca -0.00 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2jar h VAL 127 Cb 0.83 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2jar h VAL 127 CO 0.05 0.16 0.00 -0.33 0.02 0.00 0.00 177.57 177.47 2jar h GLU 128 N 0.88 0.00 -0.48 1.57 5.08 -1.48 -2.74 114.58 117.40 2jar h GLU 128 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2jar h GLU 128 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2jar h GLU 128 CO -0.06 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.49 2jar n ARG 129 N -3.07 2.89 -2.61 2.33 5.12 -0.32 -4.98 116.66 116.03 2jar n ARG 129 Ca -0.03 -2.33 -0.41 0.00 -1.93 0.00 0.00 57.85 53.15 2jar n ARG 129 Cb 0.09 -1.43 -0.04 0.00 -1.16 0.00 0.00 32.46 29.92 2jar n ARG 129 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2jar s ILE 130 N -1.14 4.18 -0.16 0.55 1.01 -1.04 -0.41 121.20 124.20 2jar s ILE 130 Ca 0.34 1.82 0.00 0.00 0.00 0.00 0.00 60.65 62.81 2jar s ILE 130 Cb 0.19 -4.16 0.03 0.00 0.01 0.00 0.00 42.46 38.52 2jar s ILE 130 CO 0.22 0.28 -0.14 -0.63 0.00 0.00 0.00 174.94 174.67 2jar s ILE 131 N -0.00 1.61 -0.22 2.92 1.01 0.13 -4.92 121.20 121.74 2jar s ILE 131 Ca 0.49 -0.72 -0.11 0.00 0.00 0.00 0.00 60.65 60.31 2jar s ILE 131 Cb -0.26 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 2jar s ILE 131 CO 0.32 0.41 0.18 -0.76 0.00 0.00 0.00 174.94 175.09 2jar s LEU 132 N 1.46 4.16 -0.09 2.97 1.43 -1.26 -1.76 118.68 125.58 2jar s LEU 132 Ca 0.04 0.21 -0.24 0.00 -1.03 0.00 0.00 54.13 53.12 2jar s LEU 132 Cb -0.13 -2.16 0.05 0.00 0.03 0.00 0.00 46.19 43.98 2jar s LEU 132 CO -0.10 0.09 0.56 0.28 0.23 0.00 0.00 176.35 177.41 2jar s THR 133 N 0.81 0.01 -2.32 5.49 -1.32 -0.77 -4.99 115.64 112.56 2jar s THR 133 Ca 0.09 -0.12 0.27 0.00 -1.21 0.00 0.00 61.69 60.72 2jar s THR 133 Cb -0.13 -0.85 0.39 0.00 -1.51 0.00 0.00 72.50 70.41 2jar s THR 133 CO 0.03 -0.06 1.59 0.54 -2.21 0.00 0.00 174.62 174.51 2jar n ARG 134 N 1.56 1.48 -3.66 7.08 5.12 -1.26 -3.76 116.66 123.22 2jar n ARG 134 Ca -0.18 -0.95 -0.29 0.00 -1.93 0.00 0.00 57.85 54.50 2jar n ARG 134 Cb 0.56 -1.48 -0.16 0.00 -1.16 0.00 0.00 32.46 30.23 2jar n ARG 134 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2jar s ASP 135 N -2.17 3.43 0.37 0.55 -1.08 -1.26 -4.99 116.67 111.51 2jar s ASP 135 Ca 0.32 -1.22 0.24 0.00 -0.52 0.00 0.00 52.55 51.37 2jar s ASP 135 Cb 0.20 -0.57 0.50 0.00 -1.46 0.00 0.00 42.92 41.59 2jar s ASP 135 CO 0.40 -0.39 1.67 0.11 0.52 0.00 0.00 175.17 177.47 2jar h LYS 136 N 8.27 0.00 0.00 4.34 1.57 -1.85 -3.29 116.57 125.61 2jar h LYS 136 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2jar h LYS 136 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2jar h LYS 136 CO 0.41 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 181.08 2jar h THR 137 N 0.00 0.00 -0.07 -0.16 1.35 -1.91 -2.15 112.91 109.97 2jar h THR 137 Ca 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 2jar h THR 137 Cb 0.91 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 2jar h THR 137 CO 0.00 0.00 0.00 1.33 -0.25 0.00 0.00 175.52 176.60 2jar n VAL 138 N -2.86 0.06 -3.53 6.82 0.24 -1.24 -4.62 118.33 113.20 2jar n VAL 138 Ca -0.00 -0.37 -0.37 0.00 -2.04 0.00 0.00 64.34 61.56 2jar n VAL 138 Cb 0.22 0.82 -0.07 0.00 -1.47 0.00 0.00 33.84 33.34 2jar n VAL 138 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2jar s VAL 139 N -1.94 5.28 -0.19 3.34 1.01 -0.81 -5.06 120.40 122.04 2jar s VAL 139 Ca 0.34 0.59 -0.19 0.00 0.00 0.00 0.00 61.98 62.73 2jar s VAL 139 Cb 0.20 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 2jar s VAL 139 CO 0.31 0.41 0.54 -0.04 0.00 0.00 0.00 175.10 176.32 2jar s MET 140 N 0.28 4.22 0.30 2.72 -1.94 -1.26 -4.71 119.30 118.92 2jar s MET 140 Ca 0.18 0.47 -0.20 0.00 -1.71 0.00 0.00 55.69 54.43 2jar s MET 140 Cb -0.13 -3.55 0.04 0.00 2.01 0.00 0.00 34.83 33.20 2jar s MET 140 CO 0.05 -0.12 0.77 0.20 -0.01 0.00 0.00 175.02 175.92 2jar s GLY 141 N 1.08 0.06 -0.09 -0.03 0.00 -1.26 -5.00 107.32 102.08 2jar s GLY 141 Ca 0.25 -0.43 0.03 0.00 0.00 0.00 0.00 44.72 44.58 2jar s GLY 141 CO 0.10 -0.07 0.46 1.22 0.00 0.00 0.00 173.10 174.82 2jar n ASP 142 N -0.81 1.47 -4.07 1.64 9.92 0.33 -2.30 116.55 122.73 2jar n ASP 142 Ca -0.06 0.28 -0.18 0.00 -0.53 0.00 0.00 54.79 54.31 2jar n ASP 142 Cb 0.59 -0.41 -0.13 0.00 -0.64 0.00 0.00 41.12 40.53 2jar n ASP 142 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2jar s LEU 143 N -6.53 2.13 -0.22 0.64 1.43 -1.05 -1.35 118.68 113.73 2jar s LEU 143 Ca -0.14 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 2jar s LEU 143 Cb 0.07 -0.42 0.05 0.00 0.03 0.00 0.00 46.19 45.92 2jar s LEU 143 CO 0.79 0.01 -0.09 -0.22 0.23 0.00 0.00 176.35 177.07 2jar s LEU 144 N -0.85 2.61 -0.43 1.79 2.96 -0.37 -0.21 118.68 124.18 2jar s LEU 144 Ca -0.00 -1.09 -0.18 0.00 -0.22 0.00 0.00 54.13 52.64 2jar s LEU 144 Cb -0.06 -1.28 0.02 0.00 0.50 0.00 0.00 46.19 45.37 2jar s LEU 144 CO 0.00 -0.18 0.51 -0.63 -1.32 0.00 0.00 176.35 174.73 2jar s ILE 145 N 1.34 5.00 -0.18 6.68 1.01 -0.01 -0.22 121.20 134.82 2jar s ILE 145 Ca -0.04 -0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.24 2jar s ILE 145 Cb -0.18 -4.11 0.05 0.00 0.01 0.00 0.00 42.46 38.24 2jar s ILE 145 CO -0.07 -0.50 0.45 -0.62 0.00 0.00 0.00 174.94 174.20 2jar s ASP 146 N 1.92 -0.51 0.00 3.58 -1.08 -0.81 -1.16 116.67 118.61 2jar s ASP 146 Ca 0.15 0.94 0.29 0.00 -0.52 0.00 0.00 52.55 53.41 2jar s ASP 146 Cb -0.16 0.90 1.19 0.00 -1.46 0.00 0.00 42.92 43.39 2jar s ASP 146 CO 0.15 -0.17 1.87 -0.90 0.52 0.00 0.00 175.17 176.64 2jar n ASP 147 N 3.38 0.13 -4.72 -0.34 5.75 -1.26 -1.18 116.55 118.31 2jar n ASP 147 Ca -0.17 0.12 -0.42 0.00 -0.01 0.00 0.00 54.79 54.31 2jar n ASP 147 Cb 0.56 -0.29 -0.03 0.00 -1.03 0.00 0.00 41.12 40.33 2jar n ASP 147 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2jar s LYS 148 N -2.84 4.52 0.06 0.11 2.20 -1.26 -4.78 119.74 117.74 2jar s LYS 148 Ca 0.18 1.68 -0.16 0.00 -0.36 0.00 0.00 55.97 57.31 2jar s LYS 148 Cb 0.19 -3.34 -0.20 0.00 -1.51 0.00 0.00 37.83 32.96 2jar s LYS 148 CO 0.53 -0.09 1.20 0.38 -0.36 0.00 0.00 175.35 177.02 2jar h ASP 149 N 6.17 0.76 -3.59 1.43 3.04 -1.98 -3.41 116.42 118.84 2jar h ASP 149 Ca -0.42 -0.70 -0.68 0.00 -3.24 0.00 0.00 57.03 51.99 2jar h ASP 149 Cb 1.21 -0.23 -0.36 0.00 -1.04 0.00 0.00 39.33 38.91 2jar h ASP 149 CO 0.77 1.35 -0.62 0.21 -2.04 0.00 0.00 179.24 178.90 2jar s ASN 150 N -6.97 5.05 -0.28 4.15 3.84 -1.26 -5.06 114.94 114.41 2jar s ASN 150 Ca -0.11 -1.99 -0.16 0.00 0.21 0.00 0.00 52.86 50.81 2jar s ASN 150 Cb 0.06 -1.75 -0.03 0.00 -0.55 0.00 0.00 41.25 38.98 2jar s ASN 150 CO 0.87 -0.46 0.42 -0.63 -2.79 0.00 0.00 177.10 174.51 2jar s ILE 151 N 1.07 5.14 0.25 -5.21 1.01 -1.26 -5.05 121.20 117.14 2jar s ILE 151 Ca 0.07 0.57 0.12 0.00 0.00 0.00 0.00 60.65 61.41 2jar s ILE 151 Cb -0.21 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 2jar s ILE 151 CO -0.05 0.08 -0.21 -1.10 0.00 0.00 0.00 174.94 173.66 2jar s GLN 152 N 2.15 1.61 0.00 2.79 -0.21 -1.26 -5.03 119.66 119.71 2jar s GLN 152 Ca 0.16 -1.68 0.00 0.00 0.02 0.00 0.00 55.36 53.86 2jar s GLN 152 Cb -0.16 -1.78 0.00 0.00 1.00 0.00 0.00 33.01 32.07 2jar s GLN 152 CO 0.10 0.35 0.00 0.41 -2.12 0.00 0.00 175.29 174.03 2jar n GLY 153 N -0.31 -1.27 0.19 3.09 0.00 -1.26 -4.63 105.19 101.01 2jar n GLY 153 Ca -0.08 -0.94 0.08 0.00 0.00 0.00 0.00 46.02 45.08 2jar n GLY 153 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jar h LEU 154 N 0.00 0.00 -8.59 0.99 3.38 -1.95 -3.41 115.31 105.72 2jar h LEU 154 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 2jar h LEU 154 Cb 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.60 2jar h LEU 154 CO 0.00 0.26 0.18 -0.70 0.09 0.00 0.00 178.44 178.28 2jar s GLU 155 N -3.27 3.30 0.23 1.13 2.56 -1.26 -4.94 118.70 116.45 2jar s GLU 155 Ca 0.04 -0.33 -0.08 0.00 0.00 0.00 0.00 54.97 54.60 2jar s GLU 155 Cb 0.08 -3.95 0.21 0.00 2.00 0.00 0.00 34.13 32.47 2jar s GLU 155 CO 0.68 -1.05 1.89 1.49 -0.56 0.00 0.00 175.26 177.71 2jar h GLU 156 N 8.91 1.20 -3.26 4.30 4.81 -1.94 -3.31 114.58 125.29 2jar h GLU 156 Ca -0.25 -0.09 -0.63 0.00 -0.13 0.00 0.00 59.36 58.25 2jar h GLU 156 Cb 1.09 -0.26 -0.41 0.00 0.63 0.00 0.00 28.75 29.81 2jar h GLU 156 CO 0.91 0.82 -0.66 0.95 -0.73 0.00 0.00 179.01 180.31 2jar s THR 157 N -6.03 2.24 0.82 0.32 -4.23 -1.26 -5.10 115.64 102.40 2jar s THR 157 Ca -0.13 -3.11 -0.14 0.00 -1.18 0.00 0.00 61.69 57.13 2jar s THR 157 Cb 0.17 -2.56 0.04 0.00 1.34 0.00 0.00 72.50 71.49 2jar s THR 157 CO 0.81 -0.83 0.88 -2.65 -0.54 0.00 0.00 174.62 172.29 2jar n PRO 158 N 3.22 0.11 0.23 3.99 -0.02 -1.25 -4.92 135.00 136.36 2jar n PRO 158 Ca 0.06 0.10 0.11 0.00 -2.02 0.00 0.00 63.50 61.75 2jar n PRO 158 Cb 0.33 -2.17 0.45 0.00 -0.02 0.00 0.00 33.50 32.09 2jar n PRO 158 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2jar h SER 159 N -0.91 0.00 -3.16 2.55 4.64 -1.82 -3.45 113.55 111.40 2jar h SER 159 Ca -0.45 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.36 2jar h SER 159 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2jar h SER 159 CO 0.43 0.18 -0.11 -1.66 -0.87 0.00 0.00 176.83 174.79 2jar s TRP 160 N -3.56 3.49 -0.12 4.77 1.48 -0.97 -4.60 118.94 119.43 2jar s TRP 160 Ca 0.02 0.60 -0.18 0.00 -1.06 0.00 0.00 56.10 55.47 2jar s TRP 160 Cb 0.09 -2.08 -0.04 0.00 -1.16 0.00 0.00 33.47 30.28 2jar s TRP 160 CO 0.63 0.09 0.48 -2.00 -4.06 0.00 0.00 176.95 172.09 2jar s GLU 161 N -3.92 4.33 -0.21 3.25 2.12 -0.46 -4.90 118.70 118.91 2jar s GLU 161 Ca 0.43 0.45 -0.29 0.00 0.36 0.00 0.00 54.97 55.93 2jar s GLU 161 Cb -0.10 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.85 2jar s GLU 161 CO 0.34 0.14 1.07 -1.58 -0.54 0.00 0.00 175.26 174.69 2jar s HIS 162 N 0.69 3.27 -0.32 5.30 5.65 -1.26 -1.23 115.29 127.39 2jar s HIS 162 Ca 0.26 1.40 -0.11 0.00 0.25 0.00 0.00 55.06 56.86 2jar s HIS 162 Cb -0.15 -3.30 -0.02 0.00 -1.18 0.00 0.00 32.58 27.93 2jar s HIS 162 CO 0.10 -0.66 0.20 0.42 -0.65 0.00 0.00 174.74 174.15 2jar s ILE 163 N 3.14 5.03 -0.33 0.89 -1.09 0.70 -4.45 121.20 125.09 2jar s ILE 163 Ca 0.46 -0.25 -0.29 0.00 -2.23 0.00 0.00 60.65 58.35 2jar s ILE 163 Cb -0.16 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 2jar s ILE 163 CO 0.08 0.05 1.35 -0.22 -1.23 0.00 0.00 174.94 174.98 2jar s LEU 164 N 1.69 3.80 -0.12 2.97 2.96 -0.22 -1.93 118.68 127.82 2jar s LEU 164 Ca 0.06 1.13 -0.29 0.00 -0.22 0.00 0.00 54.13 54.81 2jar s LEU 164 Cb -0.17 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 2jar s LEU 164 CO 0.09 -1.19 0.98 0.12 -1.32 0.00 0.00 176.35 175.03 2jar s PHE 165 N 4.71 3.49 0.22 5.38 5.36 -0.33 -0.54 117.98 136.28 2jar s PHE 165 Ca 0.58 1.53 -0.30 0.00 -0.96 0.00 0.00 56.93 57.78 2jar s PHE 165 Cb -0.16 -3.16 -0.10 0.00 -0.34 0.00 0.00 43.02 39.26 2jar s PHE 165 CO 0.26 -0.24 1.47 0.99 -1.46 0.00 0.00 175.22 176.24 2jar s THR 166 N 2.09 2.68 0.08 0.12 2.01 0.22 -4.14 115.64 118.69 2jar s THR 166 Ca 0.46 0.54 -0.08 0.00 0.31 0.00 0.00 61.69 62.92 2jar s THR 166 Cb -0.18 -3.35 -0.00 0.00 0.01 0.00 0.00 72.50 68.98 2jar s THR 166 CO 0.16 0.08 0.17 0.00 -0.69 0.00 0.00 174.62 174.34 2jar h HIS 169 N 0.11 0.00 -0.00 0.00 2.07 -1.83 -3.07 115.15 112.42 2jar h HIS 169 Ca 0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.97 2jar h HIS 169 Cb 0.82 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.80 2jar h HIS 169 CO -0.41 0.00 -0.00 0.27 -3.07 0.00 0.00 177.93 174.71 2jar n ASN 170 N -2.57 1.15 -0.25 3.10 0.23 -0.57 -1.86 115.26 114.50 2jar n ASN 170 Ca 0.02 -1.08 0.05 0.00 -0.53 0.00 0.00 54.58 53.04 2jar n ASN 170 Cb 0.26 0.04 0.16 0.00 -2.08 0.00 0.00 39.78 38.16 2jar n ASN 170 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 2jar h GLN 171 N 0.45 0.12 -0.01 -3.83 4.20 -1.11 -2.13 115.11 112.80 2jar h GLN 171 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2jar h GLN 171 Cb 0.10 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2jar h GLN 171 CO 0.00 0.08 -0.09 0.72 -0.67 0.00 0.00 178.83 178.87 2jar n HIS 172 N -5.32 0.00 -2.40 2.96 8.25 -1.26 -4.88 115.22 112.57 2jar n HIS 172 Ca 0.13 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.17 2jar n HIS 172 Cb 0.47 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.50 2jar n HIS 172 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2jar s LEU 173 N -2.18 4.29 -0.03 2.41 0.20 -0.80 -4.99 118.68 117.58 2jar s LEU 173 Ca 0.33 1.90 -0.25 0.00 0.69 0.00 0.00 54.13 56.80 2jar s LEU 173 Cb 0.20 -3.56 -0.04 0.00 -0.43 0.00 0.00 46.19 42.36 2jar s LEU 173 CO 0.40 -0.62 0.76 0.00 -0.29 0.00 0.00 176.35 176.60 2jar s ALA 174 N 2.25 3.32 0.03 5.97 0.00 -1.26 -5.06 121.76 127.00 2jar s ALA 174 Ca 0.58 0.24 0.07 0.00 0.00 0.00 0.00 51.96 52.85 2jar s ALA 174 Cb -0.26 -3.03 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 2jar s ALA 174 CO 0.23 -0.08 -0.22 -0.51 0.00 0.00 0.00 175.76 175.19 2jar s LEU 175 N 0.59 2.13 0.61 0.00 1.43 -1.26 -5.13 118.68 117.06 2jar s LEU 175 Ca 0.40 -0.50 -0.19 0.00 -1.03 0.00 0.00 54.13 52.81 2jar s LEU 175 Cb -0.19 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.94 2jar s LEU 175 CO 0.21 0.20 1.26 -2.16 0.23 0.00 0.00 176.35 176.09 2jar s PRO 176 N -1.01 2.85 0.64 1.29 0.04 -1.26 -4.89 135.00 132.65 2jar s PRO 176 Ca 0.08 1.96 0.39 0.00 0.04 0.00 0.00 61.00 63.48 2jar s PRO 176 Cb -0.09 -1.94 2.19 0.00 0.04 0.00 0.00 34.50 34.69 2jar s PRO 176 CO 0.01 -1.34 2.31 -1.00 0.04 0.00 0.00 177.00 177.02 2jar h PRO 177 N 0.85 0.00 0.00 0.56 0.13 -2.05 -0.46 132.00 131.04 2jar h PRO 177 Ca -0.51 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2jar h PRO 177 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 2jar h PRO 177 CO 0.55 0.00 -0.01 1.79 -0.23 0.00 0.00 178.00 180.10 2jar h THR 178 N 0.00 0.13 -3.57 1.56 1.35 -2.06 -3.41 112.91 106.90 2jar h THR 178 Ca 0.00 -0.07 -0.61 0.00 -0.55 0.00 0.00 66.41 65.18 2jar h THR 178 Cb 0.05 1.06 -0.13 0.00 -1.73 0.00 0.00 68.15 67.41 2jar h THR 178 CO -0.00 0.01 -0.14 -0.13 -0.25 0.00 0.00 175.52 175.01 2jar s ARG 179 N -4.20 4.10 0.13 4.72 1.81 -0.18 -5.07 118.95 120.25 2jar s ARG 179 Ca -0.04 0.22 -0.12 0.00 -1.72 0.00 0.00 55.73 54.07 2jar s ARG 179 Cb 0.13 -3.61 -0.06 0.00 -0.45 0.00 0.00 34.95 30.96 2jar s ARG 179 CO 0.45 -0.21 0.49 1.03 -0.68 0.00 0.00 175.30 176.38 2jar s ARG 180 N 1.85 3.87 0.09 3.54 0.52 -1.26 -4.88 118.95 122.68 2jar s ARG 180 Ca 0.19 0.33 0.09 0.00 -0.52 0.00 0.00 55.73 55.82 2jar s ARG 180 Cb -0.15 -2.93 -0.04 0.00 0.52 0.00 0.00 34.95 32.35 2jar s ARG 180 CO 0.09 0.50 -0.21 1.03 0.02 0.00 0.00 175.30 176.73 2jar s ARG 181 N -2.03 1.80 -0.22 3.54 0.52 -1.26 -1.06 118.95 120.25 2jar s ARG 181 Ca 0.37 -1.14 -0.09 0.00 -0.52 0.00 0.00 55.73 54.35 2jar s ARG 181 Cb -0.14 -2.08 -0.04 0.00 0.52 0.00 0.00 34.95 33.20 2jar s ARG 181 CO 0.19 0.50 0.11 -0.51 0.02 0.00 0.00 175.30 175.60 2jar s LEU 182 N -1.80 3.91 0.18 2.53 1.43 0.30 -4.86 118.68 120.38 2jar s LEU 182 Ca 0.15 0.06 0.06 0.00 -1.03 0.00 0.00 54.13 53.37 2jar s LEU 182 Cb -0.10 -2.02 0.04 0.00 0.03 0.00 0.00 46.19 44.13 2jar s LEU 182 CO 0.07 0.10 1.41 -0.07 0.23 0.00 0.00 176.35 178.09 2jar h LEU 183 N 7.26 0.13 -7.75 1.79 3.38 -1.94 0.64 115.31 118.82 2jar h LEU 183 Ca -0.38 -0.11 0.32 0.00 0.09 0.00 0.00 57.88 57.80 2jar h LEU 183 Cb 1.17 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 2jar h LEU 183 CO 0.67 0.91 0.84 -0.94 0.09 0.00 0.00 178.44 180.01 2jar s SER 184 N -6.86 -0.01 0.05 -0.43 1.04 -1.26 -4.47 113.70 101.76 2jar s SER 184 Ca -0.02 -0.24 0.11 0.00 0.48 0.00 0.00 55.95 56.28 2jar s SER 184 Cb 0.11 0.19 0.47 0.00 0.10 0.00 0.00 66.02 66.90 2jar s SER 184 CO 0.81 -0.38 1.34 0.79 0.98 0.00 0.00 173.24 176.78 2jar n TRP 185 N -0.76 0.14 0.65 5.02 7.02 -1.26 -1.70 117.44 126.54 2jar n TRP 185 Ca -0.01 0.06 0.12 0.00 -1.02 0.00 0.00 57.50 56.66 2jar n TRP 185 Cb 0.60 -0.60 0.27 0.00 -2.42 0.00 0.00 31.31 29.16 2jar n TRP 185 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 2jar n SER 186 N -1.63 0.68 -4.76 -0.99 3.41 -1.26 -4.84 113.62 104.22 2jar n SER 186 Ca 0.02 0.24 -0.29 0.00 -0.26 0.00 0.00 58.87 58.57 2jar n SER 186 Cb 0.10 -0.14 0.13 0.00 -0.26 0.00 0.00 64.21 64.04 2jar n SER 186 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jar s ASP 187 N -4.14 3.73 -1.29 4.04 2.15 -0.69 -4.88 116.67 115.59 2jar s ASP 187 Ca 0.08 1.22 -0.10 0.00 0.43 0.00 0.00 52.55 54.18 2jar s ASP 187 Cb 0.14 -1.89 0.15 0.00 -0.30 0.00 0.00 42.92 41.02 2jar s ASP 187 CO 0.67 -2.44 1.85 -3.20 -0.17 0.00 0.00 175.17 171.88 2jar n ASN 188 N -3.73 4.99 0.26 -0.34 5.15 -1.26 -4.69 115.26 115.64 2jar n ASN 188 Ca 0.07 -3.07 0.09 0.00 -0.60 0.00 0.00 54.58 51.07 2jar n ASN 188 Cb 0.57 -1.51 0.66 0.00 -0.53 0.00 0.00 39.78 38.97 2jar n ASN 188 CO 0.00 0.00 0.00 4.11 1.40 0.00 0.00 177.26 182.77 2jar h TRP 189 N 5.96 0.00 -0.55 1.20 5.08 -1.89 -2.77 115.95 122.98 2jar h TRP 189 Ca 0.40 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.37 2jar h TRP 189 Cb 0.66 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.80 2jar h TRP 189 CO 1.26 0.03 0.33 0.00 -1.28 0.00 0.00 178.44 178.77 2jar h ARG 190 N 0.00 0.74 -0.50 0.12 3.08 -1.98 -1.84 114.38 114.00 2jar h ARG 190 Ca -0.00 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2jar h ARG 190 Cb 0.05 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 2jar h ARG 190 CO 0.00 0.54 0.25 0.78 -1.07 0.00 0.00 179.97 180.47 2jar h GLY 191 N 0.74 0.77 0.60 0.04 0.00 -1.90 -1.70 103.07 101.62 2jar h GLY 191 Ca 0.20 -0.38 0.07 0.00 0.00 0.00 0.00 47.33 47.22 2jar h GLY 191 CO -0.04 0.36 0.40 -2.22 0.00 0.00 0.00 176.54 175.04 2jar h ILE 192 N 0.66 0.93 -0.58 2.60 2.04 -1.32 0.10 117.51 121.95 2jar h ILE 192 Ca 0.17 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 2jar h ILE 192 Cb 0.11 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.33 2jar h ILE 192 CO -0.02 0.13 0.28 0.40 0.00 0.00 0.00 178.15 178.93 2jar h ILE 193 N 0.71 1.21 -0.54 -0.67 2.04 -1.01 -2.39 117.51 116.87 2jar h ILE 193 Ca 0.34 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 2jar h ILE 193 Cb 0.26 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2jar h ILE 193 CO -0.21 0.24 0.24 -0.33 0.00 0.00 0.00 178.15 178.08 2jar h GLU 194 N 0.79 0.76 -0.32 2.37 4.39 -0.50 -2.09 114.58 119.99 2jar h GLU 194 Ca 0.20 -0.10 0.04 0.00 0.34 0.00 0.00 59.36 59.84 2jar h GLU 194 Cb 0.12 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 2jar h GLU 194 CO -0.02 0.61 0.22 0.66 -1.16 0.00 0.00 179.01 179.31 2jar h SER 195 N 0.76 0.22 0.55 1.42 4.64 -0.29 -1.92 113.55 118.92 2jar h SER 195 Ca 0.19 -0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.22 2jar h SER 195 Cb 0.12 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 2jar h SER 195 CO -0.02 0.15 -1.41 0.11 -0.87 0.00 0.00 176.83 174.79 2jar h LYS 196 N 0.25 0.23 -0.56 4.77 1.79 -1.27 -3.23 116.57 118.55 2jar h LYS 196 Ca 0.14 -0.39 -0.03 0.00 -2.18 0.00 0.00 60.65 58.19 2jar h LYS 196 Cb 0.23 0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.00 2jar h LYS 196 CO -0.03 1.11 0.23 -0.09 -1.08 0.00 0.00 179.45 179.60 2jar h ARG 197 N 0.06 0.80 0.00 3.15 2.43 -1.04 -2.71 114.38 117.07 2jar h ARG 197 Ca -0.19 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 2jar h ARG 197 Cb 1.98 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 31.39 2jar h ARG 197 CO 0.17 0.65 -0.05 0.00 -1.51 0.00 0.00 179.97 179.23 2jar h ALA 198 N 1.46 1.16 -0.03 2.80 0.00 -1.38 -3.46 119.26 119.82 2jar h ALA 198 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jar h ALA 198 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2jar h ALA 198 CO -0.02 0.06 0.00 0.43 0.00 0.00 0.00 179.25 179.72