#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibm n ARG 3 N 0.00 0.79 -3.61 0.54 1.74 -1.26 -5.15 116.66 109.71 1ibm n ARG 3 Ca 0.00 -2.01 -0.11 0.00 -0.77 0.00 0.00 57.85 54.95 1ibm n ARG 3 Cb 0.00 -0.08 -0.06 0.00 -1.02 0.00 0.00 32.46 31.29 1ibm n ARG 3 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ibm s SER 4 N -3.24 -0.50 0.00 0.55 1.04 -1.26 -4.99 113.70 105.31 1ibm s SER 4 Ca 0.35 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.59 1ibm s SER 4 Cb -0.03 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.86 1ibm s SER 4 CO 0.22 -0.27 0.00 0.18 0.98 0.00 0.00 173.24 174.35 1ibm n LEU 5 N 1.73 0.00 0.00 2.42 4.77 -1.26 -5.11 117.00 119.55 1ibm n LEU 5 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1ibm n LEU 5 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1ibm n LEU 5 CO 0.09 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.44 1ibm n LYS 6 N -0.01 0.00 -2.72 3.23 5.02 -1.26 -4.18 118.16 118.24 1ibm n LYS 6 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 1ibm n LYS 6 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.09 1ibm n LYS 6 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1ibm n LYS 7 N 0.00 0.73 -2.68 1.97 -0.00 -1.26 -5.00 118.16 111.92 1ibm n LYS 7 Ca 0.00 -1.57 -0.05 0.00 -0.00 0.00 0.00 58.31 56.69 1ibm n LYS 7 Cb 0.00 -0.97 0.06 0.00 -0.00 0.00 0.00 35.03 34.13 1ibm n LYS 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ibm n GLY 8 N 0.90 -0.19 2.17 2.58 0.00 -1.26 -5.14 105.19 104.25 1ibm n GLY 8 Ca 0.05 0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1ibm n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ibm n VAL 9 N -0.20 0.48 -4.44 1.61 0.31 -1.26 -4.91 118.33 109.91 1ibm n VAL 9 Ca -0.12 -0.12 -0.34 0.00 -0.01 0.00 0.00 64.34 63.75 1ibm n VAL 9 Cb 0.73 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.56 1ibm n VAL 9 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1ibm s PHE 10 N -0.24 3.08 -0.23 3.52 5.36 -1.26 -5.06 117.98 123.16 1ibm s PHE 10 Ca 0.51 0.09 -0.08 0.00 -0.96 0.00 0.00 56.93 56.48 1ibm s PHE 10 Cb -0.71 -1.79 0.10 0.00 -0.34 0.00 0.00 43.02 40.28 1ibm s PHE 10 CO 0.35 0.37 0.48 0.08 -1.46 0.00 0.00 175.22 175.04 1ibm s VAL 11 N -0.69 -0.75 0.16 3.12 1.01 -1.26 -0.47 120.40 121.52 1ibm s VAL 11 Ca 0.11 0.12 -0.33 0.00 0.00 0.00 0.00 61.98 61.88 1ibm s VAL 11 Cb -0.12 -0.76 -0.12 0.00 0.00 0.00 0.00 36.38 35.38 1ibm s VAL 11 CO 0.02 0.05 1.71 0.47 0.00 0.00 0.00 175.10 177.35 1ibm n ASP 12 N 5.40 3.70 -0.06 3.32 9.92 -1.26 -4.89 116.55 132.68 1ibm n ASP 12 Ca -0.09 1.05 -0.10 0.00 -0.53 0.00 0.00 54.79 55.12 1ibm n ASP 12 Cb 0.49 -1.51 -0.07 0.00 -0.64 0.00 0.00 41.12 39.40 1ibm n ASP 12 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 1ibm h ASP 13 N 7.01 -1.21 -0.95 -2.24 2.03 -2.00 -1.88 116.42 117.18 1ibm h ASP 13 Ca -0.45 0.15 0.26 0.00 -0.73 0.00 0.00 57.03 56.27 1ibm h ASP 13 Cb 1.23 0.49 -0.17 0.00 -0.83 0.00 0.00 39.33 40.04 1ibm h ASP 13 CO 0.93 -0.29 0.07 1.12 -1.03 0.00 0.00 179.24 180.04 1ibm h HIS 14 N -0.32 0.03 0.00 4.15 2.07 -1.94 1.84 115.15 120.99 1ibm h HIS 14 Ca 0.04 0.07 -0.12 0.00 -2.85 0.00 0.00 60.37 57.50 1ibm h HIS 14 Cb 0.42 0.14 -0.02 0.00 2.57 0.00 0.00 27.41 30.52 1ibm h HIS 14 CO -0.63 -0.38 -0.58 1.37 -3.07 0.00 0.00 177.93 174.63 1ibm h LEU 15 N 0.04 0.00 0.00 6.12 8.10 -1.91 -3.14 115.31 124.52 1ibm h LEU 15 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.57 1ibm h LEU 15 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.42 1ibm h LEU 15 CO -0.85 0.58 0.00 -0.11 -4.11 0.00 0.00 178.44 173.95 1ibm n LEU 16 N -3.59 0.67 -0.55 0.17 7.94 0.54 -1.11 117.00 121.07 1ibm n LEU 16 Ca -0.00 0.52 0.00 0.00 -1.11 0.00 0.00 56.01 55.41 1ibm n LEU 16 Cb 0.64 -0.31 0.00 0.00 0.53 0.00 0.00 43.42 44.28 1ibm n LEU 16 CO 0.41 -0.31 0.01 -1.84 -1.11 0.00 0.00 177.39 174.55 1ibm n GLU 17 N -1.43 0.05 0.00 1.96 0.28 0.35 0.84 120.64 122.69 1ibm n GLU 17 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ibm n GLU 17 Cb 0.00 -1.07 0.00 0.00 1.43 0.00 0.00 31.44 31.80 1ibm n GLU 17 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1ibm n LYS 18 N 0.52 1.46 -0.02 3.44 4.81 -1.18 -4.45 118.16 122.75 1ibm n LYS 18 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 1ibm n LYS 18 Cb 0.01 -0.87 0.01 0.00 0.02 0.00 0.00 35.03 34.20 1ibm n LYS 18 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 1ibm h VAL 19 N 0.00 1.31 -0.00 3.15 3.04 0.20 -3.21 116.25 120.74 1ibm h VAL 19 Ca 0.00 -1.84 -0.17 0.00 -1.01 0.00 0.00 66.70 63.69 1ibm h VAL 19 Cb 0.75 1.79 -0.02 0.00 -2.01 0.00 0.00 31.29 31.80 1ibm h VAL 19 CO 0.00 0.58 -0.80 0.17 -1.01 0.00 0.00 177.57 176.51 1ibm h LEU 20 N 0.49 0.01 -0.50 3.16 8.10 -1.62 -3.20 115.31 121.75 1ibm h LEU 20 Ca -0.00 -0.01 0.05 0.00 0.11 0.00 0.00 57.88 58.03 1ibm h LEU 20 Cb 1.17 -0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 41.34 1ibm h LEU 20 CO 0.12 0.80 0.23 -0.33 -4.11 0.00 0.00 178.44 175.15 1ibm h GLU 21 N 0.00 0.44 0.00 0.17 5.08 -1.77 0.93 114.58 119.44 1ibm h GLU 21 Ca -0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1ibm h GLU 21 Cb 1.41 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1ibm h GLU 21 CO 0.10 0.29 0.00 1.28 -1.00 0.00 0.00 179.01 179.69 1ibm n LEU 22 N -4.92 0.00 -3.66 1.33 4.77 -1.21 -2.88 117.00 110.43 1ibm n LEU 22 Ca 0.04 0.39 -0.41 0.00 -0.03 0.00 0.00 56.01 56.00 1ibm n LEU 22 Cb 0.15 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 40.86 1ibm n LEU 22 CO 0.28 -0.30 1.68 0.59 -1.33 0.00 0.00 177.39 178.31 1ibm n ASN 23 N -1.39 7.27 0.00 -1.43 3.02 0.32 -2.59 115.26 120.46 1ibm n ASN 23 Ca 0.02 -3.47 0.00 0.00 -0.03 0.00 0.00 54.58 51.10 1ibm n ASN 23 Cb 0.07 -1.25 0.00 0.00 -0.61 0.00 0.00 39.78 37.98 1ibm n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ibm n ALA 24 N 0.85 0.00 -0.43 5.41 0.00 -1.14 -4.79 120.51 120.42 1ibm n ALA 24 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1ibm n ALA 24 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1ibm n ALA 24 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ibm n LYS 25 N 0.00 1.40 0.00 0.00 4.01 -1.20 -5.08 118.16 117.28 1ibm n LYS 25 Ca 0.00 -0.96 0.00 0.00 -0.51 0.00 0.00 58.31 56.84 1ibm n LYS 25 Cb 0.00 -0.79 0.00 0.00 -0.51 0.00 0.00 35.03 33.73 1ibm n LYS 25 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ibm n GLY 26 N -0.25 1.04 3.32 0.72 0.00 -1.07 -4.95 105.19 104.01 1ibm n GLY 26 Ca 0.00 -0.85 -0.17 0.00 0.00 0.00 0.00 46.02 45.00 1ibm n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ibm s GLU 27 N 0.00 1.28 0.44 1.61 0.41 -1.22 -3.85 118.70 117.37 1ibm s GLU 27 Ca 0.00 -1.61 0.06 0.00 -0.41 0.00 0.00 54.97 53.01 1ibm s GLU 27 Cb 0.00 -0.77 -0.04 0.00 -1.78 0.00 0.00 34.13 31.54 1ibm s GLU 27 CO 0.00 0.02 0.15 0.21 -0.49 0.00 0.00 175.26 175.15 1ibm s LYS 28 N -3.77 2.18 -0.70 1.61 2.20 -1.26 -5.01 119.74 114.98 1ibm s LYS 28 Ca 0.24 -1.99 -0.17 0.00 -0.36 0.00 0.00 55.97 53.69 1ibm s LYS 28 Cb 0.03 -1.87 0.15 0.00 -1.51 0.00 0.00 37.83 34.63 1ibm s LYS 28 CO 0.06 -0.19 0.75 1.03 -0.36 0.00 0.00 175.35 176.64 1ibm s ARG 29 N -3.91 3.29 0.44 4.03 0.52 -1.26 -4.77 118.95 117.29 1ibm s ARG 29 Ca 0.34 -1.81 0.00 0.00 -0.52 0.00 0.00 55.73 53.74 1ibm s ARG 29 Cb 0.04 -4.42 0.00 0.00 0.52 0.00 0.00 34.95 31.09 1ibm s ARG 29 CO 0.19 -1.46 0.00 -0.11 0.02 0.00 0.00 175.30 173.94 1ibm n LEU 30 N 5.43 -2.79 0.00 2.53 0.00 -1.26 -5.09 117.00 115.82 1ibm n LEU 30 Ca 0.02 2.72 0.00 0.00 0.00 0.00 0.00 56.01 58.74 1ibm n LEU 30 Cb 0.44 -2.52 0.00 0.00 0.00 0.00 0.00 43.42 41.34 1ibm n LEU 30 CO 0.49 0.22 0.00 -0.38 0.00 0.00 0.00 177.39 177.72 1ibm n ILE 31 N -0.67 0.00 0.00 1.96 2.08 -0.90 -5.01 119.36 116.82 1ibm n ILE 31 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1ibm n ILE 31 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1ibm n ILE 31 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1ibm n LYS 32 N 0.00 0.00 -3.67 0.38 2.85 -1.26 -3.42 118.16 113.04 1ibm n LYS 32 Ca 0.00 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.06 1ibm n LYS 32 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 1ibm n LYS 32 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1ibm s THR 33 N 0.00 4.24 -0.10 0.58 2.01 -0.02 -4.92 115.64 117.43 1ibm s THR 33 Ca 0.00 -1.09 0.08 0.00 0.31 0.00 0.00 61.69 60.99 1ibm s THR 33 Cb 0.00 -3.46 -0.12 0.00 0.01 0.00 0.00 72.50 68.93 1ibm s THR 33 CO 0.00 -0.21 0.02 0.79 -0.69 0.00 0.00 174.62 174.53 1ibm n TRP 34 N -1.52 0.00 -2.38 4.92 8.01 -1.26 -3.76 117.44 121.45 1ibm n TRP 34 Ca -0.03 0.00 -0.37 0.00 -1.31 0.00 0.00 57.50 55.79 1ibm n TRP 34 Cb 0.58 -0.49 -0.02 0.00 -2.01 0.00 0.00 31.31 29.37 1ibm n TRP 34 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 1ibm s SER 35 N -4.35 6.12 0.00 -0.99 0.01 -1.26 -4.61 113.70 108.63 1ibm s SER 35 Ca -0.06 -2.08 0.19 0.00 1.31 0.00 0.00 55.95 55.31 1ibm s SER 35 Cb 0.03 -2.58 1.09 0.00 0.21 0.00 0.00 66.02 64.77 1ibm s SER 35 CO 0.39 -1.92 1.52 -2.11 0.41 0.00 0.00 173.24 171.53 1ibm n ARG 36 N 8.39 0.53 0.13 12.44 1.85 -1.26 -2.04 116.66 136.70 1ibm n ARG 36 Ca 0.46 0.02 -0.01 0.00 -1.00 0.00 0.00 57.85 57.33 1ibm n ARG 36 Cb 0.46 -1.50 0.24 0.00 -1.05 0.00 0.00 32.46 30.62 1ibm n ARG 36 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ibm h ARG 37 N 0.00 0.11 -7.10 2.89 2.47 -1.99 -2.76 114.38 108.00 1ibm h ARG 37 Ca 0.00 -0.05 -0.56 0.00 -1.26 0.00 0.00 59.98 58.11 1ibm h ARG 37 Cb 0.03 0.00 0.16 0.00 -1.65 0.00 0.00 29.97 28.51 1ibm h ARG 37 CO 0.00 0.55 0.53 -1.54 0.56 0.00 0.00 179.97 180.08 1ibm s SER 38 N -6.89 4.68 -0.05 7.04 1.04 -0.86 -4.86 113.70 113.79 1ibm s SER 38 Ca -0.03 2.66 -0.13 0.00 0.48 0.00 0.00 55.95 58.93 1ibm s SER 38 Cb 0.13 -2.62 -0.05 0.00 0.10 0.00 0.00 66.02 63.58 1ibm s SER 38 CO 0.76 -1.96 0.33 -0.89 0.98 0.00 0.00 173.24 172.46 1ibm s THR 39 N -1.37 5.18 0.14 2.02 2.01 0.38 -2.72 115.64 121.28 1ibm s THR 39 Ca 0.81 0.65 -0.30 0.00 0.31 0.00 0.00 61.69 63.16 1ibm s THR 39 Cb -0.38 -3.63 -0.07 0.00 0.01 0.00 0.00 72.50 68.43 1ibm s THR 39 CO 0.41 0.57 1.09 -0.63 -0.69 0.00 0.00 174.62 175.37 1ibm s ILE 40 N -0.88 4.03 0.14 1.82 1.01 -1.01 -4.74 121.20 121.56 1ibm s ILE 40 Ca 0.21 1.67 0.05 0.00 0.00 0.00 0.00 60.65 62.58 1ibm s ILE 40 Cb -0.15 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1ibm s ILE 40 CO 0.10 0.25 -0.12 0.68 0.00 0.00 0.00 174.94 175.85 1ibm s VAL 41 N 0.08 1.27 0.00 2.92 -7.23 -1.26 -0.93 120.40 115.24 1ibm s VAL 41 Ca 0.51 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 1ibm s VAL 41 Cb -0.28 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 34.96 1ibm s VAL 41 CO 0.33 -0.58 0.00 -2.65 -0.31 0.00 0.00 175.10 171.89 1ibm n PRO 42 N 0.14 0.00 0.00 4.82 -0.02 -1.26 -1.30 135.00 137.38 1ibm n PRO 42 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1ibm n PRO 42 Cb 0.59 -0.05 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 1ibm n PRO 42 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1ibm n GLU 43 N -0.06 0.00 -0.12 -0.52 0.00 -1.26 0.29 120.64 118.98 1ibm n GLU 43 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 57.16 57.43 1ibm n GLU 43 Cb 0.00 0.00 0.65 0.00 0.00 0.00 0.00 31.44 32.09 1ibm n GLU 43 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 1ibm h MET 44 N 0.00 0.00 -6.42 3.44 2.86 -1.57 -3.43 114.93 109.81 1ibm h MET 44 Ca 0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1ibm h MET 44 Cb 0.00 0.00 0.23 0.00 0.06 0.00 0.00 31.60 31.89 1ibm h MET 44 CO 0.00 0.00 -1.27 0.28 1.06 0.00 0.00 176.91 176.98 1ibm n VAL 45 N -3.63 0.00 0.00 -2.22 0.31 0.85 -1.60 118.33 112.04 1ibm n VAL 45 Ca 0.18 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1ibm n VAL 45 Cb 1.10 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 33.70 1ibm n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ibm n GLY 46 N 2.46 0.01 3.92 2.92 0.00 -0.98 -4.90 105.19 108.62 1ibm n GLY 46 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1ibm n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ibm s HIS 47 N -0.79 2.55 -0.35 1.61 4.02 -0.62 -4.90 115.29 116.81 1ibm s HIS 47 Ca 0.00 0.56 0.00 0.00 1.02 0.00 0.00 55.06 56.64 1ibm s HIS 47 Cb 0.00 -3.60 0.11 0.00 -1.02 0.00 0.00 32.58 28.07 1ibm s HIS 47 CO 0.00 -1.94 0.14 0.99 1.02 0.00 0.00 174.74 174.95 1ibm s THR 48 N -3.59 0.97 0.05 1.30 2.01 -1.26 -1.98 115.64 113.13 1ibm s THR 48 Ca 0.65 -1.72 -0.02 0.00 0.31 0.00 0.00 61.69 60.91 1ibm s THR 48 Cb -0.09 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 1ibm s THR 48 CO 0.49 -0.75 0.24 -0.63 -0.69 0.00 0.00 174.62 173.27 1ibm s ILE 49 N 1.26 5.36 -0.21 1.82 1.01 -1.12 -2.11 121.20 127.20 1ibm s ILE 49 Ca 0.12 -0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.52 1ibm s ILE 49 Cb -0.19 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 1ibm s ILE 49 CO -0.17 0.20 0.05 0.00 0.00 0.00 0.00 174.94 175.02 1ibm s ALA 50 N -1.46 3.20 0.12 9.38 0.00 -1.22 0.14 121.76 131.93 1ibm s ALA 50 Ca 0.33 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.38 1ibm s ALA 50 Cb -0.13 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 1ibm s ALA 50 CO 0.23 -0.16 0.02 0.08 0.00 0.00 0.00 175.76 175.93 1ibm s VAL 51 N 1.02 4.01 -0.07 0.00 1.01 0.36 -0.84 120.40 125.90 1ibm s VAL 51 Ca 0.03 -1.11 -0.17 0.00 0.00 0.00 0.00 61.98 60.73 1ibm s VAL 51 Cb -0.14 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 1ibm s VAL 51 CO 0.03 0.03 0.45 -0.47 0.00 0.00 0.00 175.10 175.14 1ibm s TYR 52 N -1.48 3.60 0.07 5.22 5.04 -1.24 0.83 117.35 129.39 1ibm s TYR 52 Ca 0.27 0.94 0.03 0.00 -2.44 0.00 0.00 57.07 55.87 1ibm s TYR 52 Cb -0.11 -2.45 -0.24 0.00 0.35 0.00 0.00 41.96 39.51 1ibm s TYR 52 CO 0.19 0.36 1.09 -0.91 -1.34 0.00 0.00 175.55 174.94 1ibm h ASN 53 N 5.89 0.17 0.00 4.32 -0.26 -1.27 -3.46 115.58 120.98 1ibm h ASN 53 Ca -0.45 -0.20 0.00 0.00 -0.56 0.00 0.00 56.30 55.09 1ibm h ASN 53 Cb 1.19 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 38.40 1ibm h ASN 53 CO 0.70 1.16 0.00 0.61 -1.06 0.00 0.00 177.43 178.84 1ibm n GLY 54 N 1.48 0.37 1.69 2.83 0.00 -1.26 -4.82 105.19 105.48 1ibm n GLY 54 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1ibm n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ibm n LYS 55 N 0.00 0.00 -4.57 1.61 4.81 -1.26 -5.15 118.16 113.60 1ibm n LYS 55 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.17 1ibm n LYS 55 Cb 0.00 -0.07 -0.09 0.00 0.02 0.00 0.00 35.03 34.89 1ibm n LYS 55 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1ibm s GLN 56 N -1.85 1.94 -0.35 1.64 -1.52 -1.26 -5.12 119.66 113.14 1ibm s GLN 56 Ca 0.00 -2.18 -0.00 0.00 -1.95 0.00 0.00 55.36 51.23 1ibm s GLN 56 Cb 0.00 -0.93 0.09 0.00 -0.22 0.00 0.00 33.01 31.95 1ibm s GLN 56 CO 0.00 -0.37 0.09 -1.01 -0.25 0.00 0.00 175.29 173.74 1ibm s HIS 57 N -3.12 3.53 -0.14 0.91 3.76 -1.25 -0.79 115.29 118.19 1ibm s HIS 57 Ca 0.22 -2.42 -0.16 0.00 -0.15 0.00 0.00 55.06 52.56 1ibm s HIS 57 Cb 0.04 -2.76 -0.04 0.00 1.11 0.00 0.00 32.58 30.92 1ibm s HIS 57 CO 0.12 -0.92 0.39 0.14 -0.85 0.00 0.00 174.74 173.62 1ibm s VAL 58 N 1.11 5.24 -0.35 -0.90 -7.23 0.24 -4.72 120.40 113.80 1ibm s VAL 58 Ca 0.04 0.76 -0.29 0.00 -1.81 0.00 0.00 61.98 60.69 1ibm s VAL 58 Cb -0.21 -3.73 -0.01 0.00 0.56 0.00 0.00 36.38 33.00 1ibm s VAL 58 CO -0.04 0.36 1.63 -2.16 -0.31 0.00 0.00 175.10 174.58 1ibm s PRO 59 N 0.52 3.47 -0.55 4.82 0.04 -1.26 -0.49 135.00 141.55 1ibm s PRO 59 Ca 0.21 1.27 -0.05 0.00 0.04 0.00 0.00 61.00 62.47 1ibm s PRO 59 Cb -0.14 -4.12 0.14 0.00 0.04 0.00 0.00 34.50 30.43 1ibm s PRO 59 CO 0.07 -1.69 0.39 0.08 0.04 0.00 0.00 177.00 175.89 1ibm s VAL 60 N 6.16 3.86 -0.71 -0.36 1.01 0.38 -4.95 120.40 125.80 1ibm s VAL 60 Ca 0.72 -2.45 -0.26 0.00 0.00 0.00 0.00 61.98 60.00 1ibm s VAL 60 Cb -0.19 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 1ibm s VAL 60 CO 0.33 -0.82 2.11 -0.47 0.00 0.00 0.00 175.10 176.25 1ibm s TYR 61 N 0.56 1.47 0.25 5.22 6.04 -1.26 -2.79 117.35 126.84 1ibm s TYR 61 Ca 0.12 1.15 -0.30 0.00 0.04 0.00 0.00 57.07 58.08 1ibm s TYR 61 Cb -0.21 -3.84 -0.11 0.00 -1.04 0.00 0.00 41.96 36.76 1ibm s TYR 61 CO -0.04 -2.04 1.54 -1.50 -1.54 0.00 0.00 175.55 171.98 1ibm s ILE 62 N 11.18 2.36 0.05 3.14 1.10 -0.84 -4.99 121.20 133.21 1ibm s ILE 62 Ca 0.79 0.29 0.03 0.00 -0.51 0.00 0.00 60.65 61.25 1ibm s ILE 62 Cb -0.12 -3.19 -0.03 0.00 0.15 0.00 0.00 42.46 39.28 1ibm s ILE 62 CO 0.13 0.04 -0.09 -0.89 -2.11 0.00 0.00 174.94 172.02 1ibm s THR 63 N 0.25 0.70 0.27 4.00 2.01 -1.26 -2.32 115.64 119.28 1ibm s THR 63 Ca 0.64 -1.16 -0.06 0.00 0.31 0.00 0.00 61.69 61.42 1ibm s THR 63 Cb -0.45 -0.75 0.42 0.00 0.01 0.00 0.00 72.50 71.73 1ibm s THR 63 CO 0.43 -0.35 1.45 1.21 -0.69 0.00 0.00 174.62 176.67 1ibm n GLU 64 N 1.38 -0.08 -0.36 4.92 4.07 -1.26 0.60 120.64 129.91 1ibm n GLU 64 Ca -0.22 1.44 0.08 0.00 -0.06 0.00 0.00 57.16 58.40 1ibm n GLU 64 Cb 0.55 -2.18 0.25 0.00 -0.06 0.00 0.00 31.44 30.00 1ibm n GLU 64 CO 0.00 0.00 0.00 -2.95 -0.06 0.00 0.00 177.13 174.12 1ibm h ASN 65 N 0.00 0.89 -0.56 4.31 7.08 -2.01 -2.01 115.58 123.28 1ibm h ASN 65 Ca 0.47 0.06 -0.21 0.00 -3.08 0.00 0.00 56.30 53.53 1ibm h ASN 65 Cb 0.76 -0.12 -0.13 0.00 -2.08 0.00 0.00 38.32 36.76 1ibm h ASN 65 CO -0.95 0.44 0.27 1.15 -2.08 0.00 0.00 177.43 176.27 1ibm n MET 66 N -4.66 2.56 -2.86 4.14 0.00 0.20 -4.92 117.12 111.59 1ibm n MET 66 Ca 0.20 -2.07 -0.41 0.00 0.00 0.00 0.00 57.70 55.42 1ibm n MET 66 Cb 0.39 -1.89 -0.04 0.00 0.00 0.00 0.00 33.22 31.69 1ibm n MET 66 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1ibm s VAL 67 N -2.21 4.92 0.00 3.17 1.01 -0.76 -3.69 120.40 122.85 1ibm s VAL 67 Ca 0.38 1.79 0.00 0.00 0.00 0.00 0.00 61.98 64.15 1ibm s VAL 67 Cb 0.31 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1ibm s VAL 67 CO 0.09 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1ibm n GLY 68 N 2.94 3.12 3.77 4.51 0.00 -0.11 -5.00 105.19 114.41 1ibm n GLY 68 Ca 0.03 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.64 1ibm n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ibm s HIS 69 N -0.23 2.64 0.49 1.61 4.02 -1.24 -4.26 115.29 118.31 1ibm s HIS 69 Ca 0.00 1.52 -0.21 0.00 1.02 0.00 0.00 55.06 57.39 1ibm s HIS 69 Cb 0.00 -3.41 -0.08 0.00 -1.02 0.00 0.00 32.58 28.07 1ibm s HIS 69 CO 0.00 -1.83 1.08 0.15 1.02 0.00 0.00 174.74 175.16 1ibm s LYS 70 N -3.06 3.72 0.19 1.40 3.01 -1.26 -2.41 119.74 121.32 1ibm s LYS 70 Ca 0.71 1.51 -0.12 0.00 -1.01 0.00 0.00 55.97 57.05 1ibm s LYS 70 Cb -0.29 -2.17 0.19 0.00 -1.01 0.00 0.00 37.83 34.55 1ibm s LYS 70 CO 0.33 -0.52 1.75 -0.07 0.51 0.00 0.00 175.35 177.35 1ibm h LEU 71 N 1.65 0.22 -1.37 3.17 3.38 -1.61 -1.56 115.31 119.20 1ibm h LEU 71 Ca -0.49 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1ibm h LEU 71 Cb 1.23 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1ibm h LEU 71 CO 0.59 0.15 0.50 1.23 0.09 0.00 0.00 178.44 181.00 1ibm h GLY 72 N 0.39 0.00 1.74 0.83 0.00 -1.77 0.49 103.07 104.74 1ibm h GLY 72 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1ibm h GLY 72 CO -0.24 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.48 1ibm n GLU 73 N -2.68 0.19 -0.02 4.80 1.02 -0.59 -3.01 120.64 120.36 1ibm n GLU 73 Ca -0.01 0.10 0.03 0.00 -0.02 0.00 0.00 57.16 57.25 1ibm n GLU 73 Cb 0.53 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.48 1ibm n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1ibm n PHE 74 N -1.37 0.05 -3.86 -0.32 3.01 0.17 -4.81 117.46 110.33 1ibm n PHE 74 Ca 0.08 -0.12 -0.30 0.00 1.01 0.00 0.00 57.45 58.12 1ibm n PHE 74 Cb 0.21 -0.01 -0.14 0.00 -0.01 0.00 0.00 39.48 39.53 1ibm n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ibm s ALA 75 N -0.57 2.87 0.44 4.37 0.00 -1.16 -4.95 121.76 122.76 1ibm s ALA 75 Ca 0.07 -3.00 -0.24 0.00 0.00 0.00 0.00 51.96 48.79 1ibm s ALA 75 Cb 0.05 -2.05 -0.10 0.00 0.00 0.00 0.00 23.12 21.01 1ibm s ALA 75 CO 0.07 -2.03 1.02 -0.35 0.00 0.00 0.00 175.76 174.47 1ibm n PRO 76 N 3.30 1.33 -0.02 0.00 -0.04 -1.26 -4.86 135.00 133.45 1ibm n PRO 76 Ca 0.06 0.48 -0.02 0.00 -0.04 0.00 0.00 63.50 63.99 1ibm n PRO 76 Cb 0.33 -2.08 -0.01 0.00 -0.04 0.00 0.00 33.50 31.70 1ibm n PRO 76 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1ibm n THR 77 N -0.63 0.37 -1.83 0.52 -1.04 -1.26 -4.79 114.28 105.63 1ibm n THR 77 Ca 0.10 0.42 -0.32 0.00 -2.04 0.00 0.00 64.05 62.21 1ibm n THR 77 Cb 0.40 -1.73 0.03 0.00 -1.82 0.00 0.00 70.33 67.21 1ibm n THR 77 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1ibm s ARG 78 N -1.38 3.17 -0.60 -2.82 0.52 -1.26 -4.99 118.95 111.58 1ibm s ARG 78 Ca -0.05 1.06 0.06 0.00 -0.52 0.00 0.00 55.73 56.28 1ibm s ARG 78 Cb 0.01 -2.02 0.27 0.00 0.52 0.00 0.00 34.95 33.73 1ibm s ARG 78 CO 0.08 -0.92 0.78 2.41 0.02 0.00 0.00 175.30 177.66 1ibm n THR 79 N -2.55 2.27 -2.94 0.02 -1.04 -1.26 -5.06 114.28 103.71 1ibm n THR 79 Ca 0.08 -5.21 -0.35 0.00 -2.04 0.00 0.00 64.05 56.54 1ibm n THR 79 Cb 0.53 -1.91 -0.06 0.00 -1.82 0.00 0.00 70.33 67.07 1ibm n THR 79 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1ibm s TYR 80 N -2.61 3.50 0.00 -1.42 6.04 -1.26 -4.97 117.35 116.63 1ibm s TYR 80 Ca 0.42 1.53 0.00 0.00 0.04 0.00 0.00 57.07 59.05 1ibm s TYR 80 Cb 0.18 -2.75 0.00 0.00 -1.04 0.00 0.00 41.96 38.35 1ibm s TYR 80 CO -0.05 0.11 0.00 -2.13 -1.54 0.00 0.00 175.55 171.95 1ibm n ARG 81 N 0.03 1.59 0.00 4.97 0.63 -1.26 -5.09 116.66 117.54 1ibm n ARG 81 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 1ibm n ARG 81 Cb 0.52 -0.49 0.00 0.00 0.45 0.00 0.00 32.46 32.94 1ibm n ARG 81 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ibm n GLY 82 N 0.35 0.06 5.00 5.14 0.00 -1.26 -4.93 105.19 109.55 1ibm n GLY 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ibm n GLY 82 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ibm n HIS 83 N 0.00 0.00 0.00 1.61 8.25 -1.26 -4.57 115.22 119.25 1ibm n HIS 83 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ibm n HIS 83 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1ibm n HIS 83 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ibm n GLY 84 N 0.00 0.25 0.53 -1.41 0.00 -1.26 -4.94 105.19 98.36 1ibm n GLY 84 Ca 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.02 1ibm n GLY 84 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ibm n LYS 85 N 0.00 0.75 -3.10 1.61 0.00 -1.26 -5.09 118.16 111.08 1ibm n LYS 85 Ca 0.00 -2.16 -0.00 0.00 -0.00 0.00 0.00 58.31 56.15 1ibm n LYS 85 Cb 0.00 -0.99 -0.00 0.00 -0.00 0.00 0.00 35.03 34.04 1ibm n LYS 85 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1ibm n GLU 86 N -0.64 -1.13 0.00 -1.58 0.00 -1.26 -5.02 120.64 111.01 1ibm n GLU 86 Ca 0.10 1.17 0.00 0.00 0.00 0.00 0.00 57.16 58.43 1ibm n GLU 86 Cb 0.75 -0.87 0.00 0.00 0.00 0.00 0.00 31.44 31.32 1ibm n GLU 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ibm n ALA 87 N 2.32 0.00 -0.41 -1.84 0.00 -1.26 -5.16 120.51 114.16 1ibm n ALA 87 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ibm n ALA 87 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1ibm n ALA 87 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67