#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l2n s THR 22 N 0.00 0.00 -0.22 2.62 -1.32 -1.26 -4.92 115.64 110.54 1l2n s THR 22 Ca 0.00 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.24 1l2n s THR 22 Cb 0.00 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 1l2n s THR 22 CO 0.00 0.00 0.81 -1.00 -2.21 0.00 0.00 174.62 172.22 1l2n s HIS 23 N -0.54 3.35 0.35 9.09 3.76 -1.26 -0.12 115.29 129.92 1l2n s HIS 23 Ca -0.05 1.15 -0.11 0.00 -0.15 0.00 0.00 55.06 55.89 1l2n s HIS 23 Cb -0.02 -3.02 0.05 0.00 1.11 0.00 0.00 32.58 30.70 1l2n s HIS 23 CO 0.05 -0.33 0.67 0.44 -0.85 0.00 0.00 174.74 174.71 1l2n n ILE 24 N 5.06 0.00 -4.19 0.60 -5.35 -0.87 -4.86 119.36 109.74 1l2n n ILE 24 Ca 0.05 -1.02 -0.30 0.00 -0.27 0.00 0.00 62.75 61.21 1l2n n ILE 24 Cb 0.48 0.91 -0.09 0.00 -1.74 0.00 0.00 39.64 39.20 1l2n n ILE 24 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1l2n s ASN 25 N -2.89 4.77 0.02 7.28 4.22 -1.26 -1.42 114.94 125.65 1l2n s ASN 25 Ca 0.16 -0.25 0.07 0.00 -2.14 0.00 0.00 52.86 50.70 1l2n s ASN 25 Cb -0.04 -1.06 -0.03 0.00 1.28 0.00 0.00 41.25 41.40 1l2n s ASN 25 CO 0.12 0.19 -0.19 -0.22 -2.04 0.00 0.00 177.10 174.96 1l2n s LEU 26 N -2.19 2.54 -0.17 3.54 0.20 0.58 -2.15 118.68 121.02 1l2n s LEU 26 Ca 0.23 -0.40 -0.03 0.00 0.69 0.00 0.00 54.13 54.63 1l2n s LEU 26 Cb -0.11 -1.49 0.05 0.00 -0.43 0.00 0.00 46.19 44.21 1l2n s LEU 26 CO 0.16 0.28 0.04 -0.75 -0.29 0.00 0.00 176.35 175.79 1l2n s LYS 27 N -1.18 0.52 -0.25 1.98 2.47 0.56 -1.47 119.74 122.36 1l2n s LYS 27 Ca 0.13 -0.26 -0.13 0.00 -1.56 0.00 0.00 55.97 54.15 1l2n s LYS 27 Cb -0.10 -1.86 -0.04 0.00 -1.46 0.00 0.00 37.83 34.37 1l2n s LYS 27 CO 0.03 -0.59 0.29 0.14 0.16 0.00 0.00 175.35 175.39 1l2n s VAL 28 N 1.94 5.25 -0.01 4.02 -7.23 -0.21 -2.40 120.40 121.76 1l2n s VAL 28 Ca 0.01 0.43 0.03 0.00 -1.81 0.00 0.00 61.98 60.64 1l2n s VAL 28 Cb -0.16 -3.63 -0.03 0.00 0.56 0.00 0.00 36.38 33.12 1l2n s VAL 28 CO -0.08 0.24 -0.09 -0.44 -0.31 0.00 0.00 175.10 174.41 1l2n s SER 29 N 1.43 4.42 0.15 4.85 0.01 -0.22 -1.25 113.70 123.09 1l2n s SER 29 Ca 0.12 -0.18 -0.21 0.00 1.31 0.00 0.00 55.95 57.00 1l2n s SER 29 Cb -0.15 -0.99 0.06 0.00 0.21 0.00 0.00 66.02 65.15 1l2n s SER 29 CO 0.09 0.30 0.54 -1.81 0.41 0.00 0.00 173.24 172.76 1l2n s ASP 30 N -1.24 -0.47 0.00 2.44 1.01 0.19 -0.00 116.67 118.60 1l2n s ASP 30 Ca 0.15 -0.10 0.00 0.00 0.71 0.00 0.00 52.55 53.31 1l2n s ASP 30 Cb -0.11 0.56 0.00 0.00 1.01 0.00 0.00 42.92 44.38 1l2n s ASP 30 CO 0.05 -0.94 0.00 0.61 0.21 0.00 0.00 175.17 175.11 1l2n n GLY 31 N -0.33 0.00 0.00 0.21 0.00 -1.26 -2.20 105.19 101.61 1l2n n GLY 31 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1l2n n GLY 31 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1l2n n SER 32 N -1.33 0.57 -4.44 1.61 2.88 -1.26 -4.96 113.62 106.69 1l2n n SER 32 Ca 0.00 -0.79 -0.43 0.00 -1.33 0.00 0.00 58.87 56.32 1l2n n SER 32 Cb 0.00 0.35 -0.10 0.00 -0.75 0.00 0.00 64.21 63.71 1l2n n SER 32 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1l2n s SER 33 N -0.35 6.08 -0.07 -3.46 0.15 -0.93 -5.04 113.70 110.08 1l2n s SER 33 Ca 0.00 -0.98 -0.03 0.00 0.70 0.00 0.00 55.95 55.64 1l2n s SER 33 Cb 0.00 -2.15 0.04 0.00 -1.71 0.00 0.00 66.02 62.20 1l2n s SER 33 CO 0.00 -0.48 0.16 -1.83 1.20 0.00 0.00 173.24 172.29 1l2n s GLU 34 N 1.66 0.09 0.02 5.44 1.03 -1.26 0.52 118.70 126.21 1l2n s GLU 34 Ca 0.05 0.42 -0.05 0.00 0.03 0.00 0.00 54.97 55.42 1l2n s GLU 34 Cb -0.20 -0.19 -0.01 0.00 -0.80 0.00 0.00 34.13 32.93 1l2n s GLU 34 CO 0.09 -0.19 0.07 0.42 -1.33 0.00 0.00 175.26 174.33 1l2n s ILE 35 N 1.37 0.11 -0.03 1.83 -1.09 -0.38 -5.02 121.20 117.98 1l2n s ILE 35 Ca -0.07 -0.88 0.01 0.00 -2.23 0.00 0.00 60.65 57.47 1l2n s ILE 35 Cb -0.12 -0.52 0.02 0.00 -1.58 0.00 0.00 42.46 40.26 1l2n s ILE 35 CO -0.06 -0.49 -0.03 0.72 -1.23 0.00 0.00 174.94 173.85 1l2n s PHE 36 N -1.77 0.54 0.13 3.97 -0.71 -1.26 -1.04 117.98 117.83 1l2n s PHE 36 Ca -0.12 -0.11 -0.14 0.00 -1.04 0.00 0.00 56.93 55.52 1l2n s PHE 36 Cb -0.06 -0.48 0.02 0.00 -1.21 0.00 0.00 43.02 41.29 1l2n s PHE 36 CO -0.01 -0.12 0.36 -0.06 -1.34 0.00 0.00 175.22 174.05 1l2n s PHE 37 N 0.62 -0.06 -0.02 3.49 0.08 -0.54 -5.03 117.98 116.53 1l2n s PHE 37 Ca -0.07 -0.29 -0.02 0.00 0.12 0.00 0.00 56.93 56.67 1l2n s PHE 37 Cb -0.11 0.18 -0.04 0.00 -0.57 0.00 0.00 43.02 42.48 1l2n s PHE 37 CO -0.00 -0.70 0.13 0.15 -0.10 0.00 0.00 175.22 174.70 1l2n s LYS 38 N -3.84 3.27 0.11 0.44 -0.14 -1.26 -0.31 119.74 118.00 1l2n s LYS 38 Ca 0.05 -0.38 -0.08 0.00 -1.36 0.00 0.00 55.97 54.21 1l2n s LYS 38 Cb 0.02 -3.00 -0.01 0.00 -1.68 0.00 0.00 37.83 33.17 1l2n s LYS 38 CO -0.10 0.67 0.19 0.42 -0.76 0.00 0.00 175.35 175.78 1l2n s ILE 39 N -1.24 0.13 -1.14 2.17 1.09 -0.51 -4.92 121.20 116.78 1l2n s ILE 39 Ca 0.24 -1.31 -0.03 0.00 -1.10 0.00 0.00 60.65 58.45 1l2n s ILE 39 Cb -0.12 -1.51 0.21 0.00 -1.06 0.00 0.00 42.46 39.98 1l2n s ILE 39 CO 0.15 -0.58 2.15 0.29 -0.10 0.00 0.00 174.94 176.85 1l2n n LYS 40 N -0.09 4.82 -3.65 2.79 4.76 -1.26 -2.06 118.16 123.47 1l2n n LYS 40 Ca -0.13 -3.95 -0.02 0.00 -2.87 0.00 0.00 58.31 51.35 1l2n n LYS 40 Cb 0.63 -2.53 -0.06 0.00 -1.84 0.00 0.00 35.03 31.23 1l2n n LYS 40 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1l2n s LYS 41 N -2.68 0.00 -0.21 1.97 -2.85 -0.41 -4.66 119.74 110.90 1l2n s LYS 41 Ca 0.48 0.00 -0.16 0.00 -1.00 0.00 0.00 55.97 55.28 1l2n s LYS 41 Cb 0.20 0.00 -0.19 0.00 -2.06 0.00 0.00 37.83 35.78 1l2n s LYS 41 CO -0.13 -0.00 0.13 -2.37 0.10 0.00 0.00 175.35 173.08 1l2n n THR 42 N 1.23 1.58 -0.58 3.79 5.66 0.83 -4.19 114.28 122.59 1l2n n THR 42 Ca -0.07 -0.23 -0.09 0.00 -3.05 0.00 0.00 64.05 60.61 1l2n n THR 42 Cb 0.58 -1.93 -0.09 0.00 -1.55 0.00 0.00 70.33 67.34 1l2n n THR 42 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1l2n n THR 43 N -4.16 0.00 -0.03 1.09 5.66 -1.26 -4.69 114.28 110.89 1l2n n THR 43 Ca -0.37 -0.19 -0.15 0.00 -3.05 0.00 0.00 64.05 60.29 1l2n n THR 43 Cb 0.80 -0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.47 1l2n n THR 43 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1l2n h PRO 44 N 4.29 0.18 -0.98 1.09 0.13 -1.90 -0.54 132.00 134.28 1l2n h PRO 44 Ca 0.02 -0.18 0.40 0.00 -0.87 0.00 0.00 66.00 65.37 1l2n h PRO 44 Cb 0.44 0.05 -0.16 0.00 0.13 0.00 0.00 31.00 31.46 1l2n h PRO 44 CO 0.63 0.89 0.55 1.47 -0.23 0.00 0.00 178.00 181.31 1l2n n LEU 45 N -4.52 0.31 -0.01 1.56 -0.00 -1.26 0.27 117.00 113.34 1l2n n LEU 45 Ca -0.09 1.51 -0.03 0.00 -0.00 0.00 0.00 56.01 57.39 1l2n n LEU 45 Cb 0.48 -0.74 -0.12 0.00 -0.00 0.00 0.00 43.42 43.05 1l2n n LEU 45 CO 0.39 -1.68 -0.55 0.54 -0.00 0.00 0.00 177.39 176.08 1l2n n ARG 46 N -5.02 0.64 0.02 1.47 1.74 -1.22 -3.45 116.66 110.84 1l2n n ARG 46 Ca 0.36 0.16 -0.01 0.00 -0.77 0.00 0.00 57.85 57.59 1l2n n ARG 46 Cb 1.24 -1.73 -0.00 0.00 -1.02 0.00 0.00 32.46 30.95 1l2n n ARG 46 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1l2n h ARG 47 N 0.00 -0.04 -0.98 5.56 9.65 0.56 -3.23 114.38 125.89 1l2n h ARG 47 Ca -0.25 0.00 0.20 0.00 -1.10 0.00 0.00 59.98 58.83 1l2n h ARG 47 Cb 1.77 0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 30.26 1l2n h ARG 47 CO 0.05 -0.03 0.62 1.25 2.80 0.00 0.00 179.97 184.65 1l2n h LEU 48 N -0.06 0.65 -0.99 3.80 5.85 -0.14 0.50 115.31 124.93 1l2n h LEU 48 Ca -0.00 0.08 0.34 0.00 0.84 0.00 0.00 57.88 59.14 1l2n h LEU 48 Cb 0.03 -0.04 -0.17 0.00 0.37 0.00 0.00 40.66 40.85 1l2n h LEU 48 CO 0.01 0.23 0.35 -0.03 -0.34 0.00 0.00 178.44 178.66 1l2n h MET 49 N 0.63 0.06 0.00 1.25 4.05 -1.59 0.69 114.93 120.03 1l2n h MET 49 Ca 0.55 -0.00 -0.38 0.00 -0.28 0.00 0.00 59.70 59.58 1l2n h MET 49 Cb 1.03 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.75 1l2n h MET 49 CO -0.31 0.04 -2.41 -1.91 0.23 0.00 0.00 176.91 172.55 1l2n n GLU 50 N -5.30 0.60 0.12 0.39 2.13 0.08 -3.99 120.64 114.66 1l2n n GLU 50 Ca 0.31 0.16 -0.07 0.00 0.66 0.00 0.00 57.16 58.22 1l2n n GLU 50 Cb 1.03 -1.48 -0.04 0.00 0.27 0.00 0.00 31.44 31.22 1l2n n GLU 50 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1l2n h ALA 51 N -0.21 -0.91 0.00 4.31 0.00 0.68 0.97 119.26 124.10 1l2n h ALA 51 Ca -0.57 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1l2n h ALA 51 Cb 1.79 0.45 0.00 0.00 0.00 0.00 0.00 17.79 20.03 1l2n h ALA 51 CO -0.16 -0.92 0.18 0.35 0.00 0.00 0.00 179.25 178.70 1l2n h PHE 52 N -0.40 0.00 -0.04 0.00 3.57 0.17 1.62 116.94 121.85 1l2n h PHE 52 Ca -0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1l2n h PHE 52 Cb 0.35 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1l2n h PHE 52 CO -0.15 0.00 0.00 0.00 -2.23 0.00 0.00 178.31 175.93 1l2n n ALA 53 N -1.78 2.46 -0.03 2.41 0.00 -0.21 -2.36 120.51 121.00 1l2n n ALA 53 Ca -0.02 -0.70 -0.00 0.00 0.00 0.00 0.00 53.44 52.72 1l2n n ALA 53 Cb 0.22 -0.80 -0.14 0.00 0.00 0.00 0.00 19.45 18.73 1l2n n ALA 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1l2n n LYS 54 N 1.33 0.66 -0.13 0.00 3.00 0.55 -2.93 118.16 120.64 1l2n n LYS 54 Ca 0.14 -0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.18 1l2n n LYS 54 Cb 0.59 -1.61 -0.09 0.00 0.00 0.00 0.00 35.03 33.93 1l2n n LYS 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1l2n n ARG 55 N -2.64 0.56 -0.05 1.64 0.00 -0.91 -4.54 116.66 110.73 1l2n n ARG 55 Ca -0.17 0.24 -0.20 0.00 -0.00 0.00 0.00 57.85 57.72 1l2n n ARG 55 Cb 0.88 -1.44 -0.13 0.00 0.00 0.00 0.00 32.46 31.76 1l2n n ARG 55 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1l2n n GLN 56 N -4.22 0.71 0.12 -0.14 -0.06 -1.08 -4.12 117.38 108.58 1l2n n GLN 56 Ca -0.48 0.22 0.17 0.00 -2.00 0.00 0.00 57.00 54.91 1l2n n GLN 56 Cb 0.83 -1.63 0.55 0.00 -4.06 0.00 0.00 30.24 25.92 1l2n n GLN 56 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 1l2n h GLY 57 N 1.42 0.00 1.57 1.69 0.00 -1.34 1.06 103.07 107.47 1l2n h GLY 57 Ca -0.49 0.00 0.04 0.00 0.00 0.00 0.00 47.33 46.88 1l2n h GLY 57 CO 0.01 0.00 0.20 1.70 0.00 0.00 0.00 176.54 178.45 1l2n h LYS 58 N 0.00 0.23 0.00 4.80 3.11 -1.70 0.02 116.57 123.02 1l2n h LYS 58 Ca 0.19 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.02 1l2n h LYS 58 Cb 1.63 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.81 1l2n h LYS 58 CO -0.00 0.15 -1.09 -1.91 -2.81 0.00 0.00 179.45 173.80 1l2n n GLU 59 N -4.49 0.07 -2.24 1.90 4.07 0.36 -4.94 120.64 115.37 1l2n n GLU 59 Ca 0.03 -0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 1l2n n GLU 59 Cb 0.20 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.08 1l2n n GLU 59 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 1l2n n MET 60 N -1.58 -2.71 0.00 5.31 2.81 -0.01 -4.65 117.12 116.29 1l2n n MET 60 Ca 0.03 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.03 1l2n n MET 60 Cb 0.35 -4.06 0.07 0.00 -0.71 0.00 0.00 33.22 28.87 1l2n n MET 60 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1l2n n ASP 61 N -1.24 0.79 -4.24 7.83 2.03 -1.26 -4.82 116.55 115.64 1l2n n ASP 61 Ca 0.00 -0.66 -0.33 0.00 0.52 0.00 0.00 54.79 54.32 1l2n n ASP 61 Cb 0.43 0.61 -0.15 0.00 -0.72 0.00 0.00 41.12 41.29 1l2n n ASP 61 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1l2n s SER 62 N -2.97 3.58 -0.26 1.67 1.04 -1.26 -3.69 113.70 111.81 1l2n s SER 62 Ca 0.10 -0.50 0.20 0.00 0.48 0.00 0.00 55.95 56.24 1l2n s SER 62 Cb 0.17 -1.55 0.50 0.00 0.10 0.00 0.00 66.02 65.24 1l2n s SER 62 CO 0.77 0.07 1.13 0.00 0.98 0.00 0.00 173.24 176.19 1l2n n LEU 63 N 4.14 2.13 -4.03 2.42 -0.00 -1.19 -4.81 117.00 115.65 1l2n n LEU 63 Ca -0.19 -3.29 -0.31 0.00 -0.00 0.00 0.00 56.01 52.21 1l2n n LEU 63 Cb 0.52 0.32 -0.15 0.00 -0.00 0.00 0.00 43.42 44.11 1l2n n LEU 63 CO 0.28 1.20 -0.33 -0.60 -0.00 0.00 0.00 177.39 177.95 1l2n s ARG 64 N -3.67 1.58 -0.35 1.47 6.06 -0.26 -4.69 118.95 119.09 1l2n s ARG 64 Ca 0.31 -1.83 -0.13 0.00 -2.50 0.00 0.00 55.73 51.58 1l2n s ARG 64 Cb 0.34 -3.21 -0.01 0.00 0.06 0.00 0.00 34.95 32.13 1l2n s ARG 64 CO -0.03 -0.92 0.26 -0.59 -2.50 0.00 0.00 175.30 171.52 1l2n s PHE 65 N 0.93 3.23 0.30 5.12 -0.71 -1.26 0.22 117.98 125.81 1l2n s PHE 65 Ca 0.09 -0.27 -0.20 0.00 -1.04 0.00 0.00 56.93 55.51 1l2n s PHE 65 Cb -0.19 -2.52 0.03 0.00 -1.21 0.00 0.00 43.02 39.13 1l2n s PHE 65 CO -0.07 -0.41 0.75 -0.48 -1.34 0.00 0.00 175.22 173.66 1l2n s LEU 66 N 1.74 -0.19 -0.05 -1.99 0.05 0.23 -4.24 118.68 114.23 1l2n s LEU 66 Ca 0.06 -0.72 -0.02 0.00 0.05 0.00 0.00 54.13 53.50 1l2n s LEU 66 Cb -0.18 2.72 -0.02 0.00 -2.05 0.00 0.00 46.19 46.67 1l2n s LEU 66 CO 0.11 -1.40 -0.06 0.00 -0.55 0.00 0.00 176.35 174.44 1l2n n TYR 67 N -0.48 0.00 0.00 3.48 4.19 0.52 -0.59 117.16 124.28 1l2n n TYR 67 Ca -0.05 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.16 1l2n n TYR 67 Cb 0.59 -0.17 0.00 0.00 0.49 0.00 0.00 39.34 40.25 1l2n n TYR 67 CO 0.00 0.00 0.00 -0.25 0.91 0.00 0.00 176.86 177.52 1l2n n ASP 68 N -3.14 0.00 -1.47 2.98 8.00 -1.26 -4.71 116.55 116.94 1l2n n ASP 68 Ca -0.09 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.40 1l2n n ASP 68 Cb 0.57 -0.19 0.02 0.00 -0.02 0.00 0.00 41.12 41.50 1l2n n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1l2n n GLY 69 N 2.56 -0.20 2.71 0.44 0.00 -1.26 -5.00 105.19 104.44 1l2n n GLY 69 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 1l2n n GLY 69 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1l2n n ILE 70 N -0.29 0.38 -4.02 -0.61 -0.00 -1.26 -5.00 119.36 108.56 1l2n n ILE 70 Ca -0.06 -1.76 -0.38 0.00 -0.00 0.00 0.00 62.75 60.56 1l2n n ILE 70 Cb 0.53 1.03 -0.00 0.00 -0.00 0.00 0.00 39.64 41.20 1l2n n ILE 70 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44 1l2n n ARG 71 N -0.95 -1.02 -4.29 6.28 1.85 -1.26 -4.95 116.66 112.31 1l2n n ARG 71 Ca -0.06 0.21 -0.24 0.00 -1.00 0.00 0.00 57.85 56.76 1l2n n ARG 71 Cb 0.85 -3.36 -0.08 0.00 -1.05 0.00 0.00 32.46 28.82 1l2n n ARG 71 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 1l2n s ILE 72 N -3.74 2.78 0.44 8.89 -4.36 -1.26 -4.84 121.20 119.12 1l2n s ILE 72 Ca 0.33 -1.92 0.03 0.00 -0.26 0.00 0.00 60.65 58.83 1l2n s ILE 72 Cb -0.16 -2.83 -0.02 0.00 1.25 0.00 0.00 42.46 40.70 1l2n s ILE 72 CO 0.94 -0.22 0.09 -1.10 0.24 0.00 0.00 174.94 174.90 1l2n s GLN 73 N -3.73 2.02 0.00 0.37 -0.21 -1.26 0.19 119.66 117.04 1l2n s GLN 73 Ca 0.35 -2.25 0.00 0.00 0.02 0.00 0.00 55.36 53.47 1l2n s GLN 73 Cb -0.01 -0.88 0.00 0.00 1.00 0.00 0.00 33.01 33.12 1l2n s GLN 73 CO 0.20 -0.45 0.00 0.00 -2.12 0.00 0.00 175.29 172.92 1l2n n ALA 74 N -1.02 0.00 -2.26 6.09 0.00 -1.25 -4.67 120.51 117.40 1l2n n ALA 74 Ca -0.10 -0.02 -0.27 0.00 0.00 0.00 0.00 53.44 53.05 1l2n n ALA 74 Cb 0.65 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.12 1l2n n ALA 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1l2n n ASP 75 N -1.22 5.01 0.00 0.00 8.00 -1.26 -4.75 116.55 122.33 1l2n n ASP 75 Ca 0.00 -3.74 0.04 0.00 0.71 0.00 0.00 54.79 51.80 1l2n n ASP 75 Cb 0.00 -0.46 0.18 0.00 -0.02 0.00 0.00 41.12 40.82 1l2n n ASP 75 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1l2n n GLN 76 N -0.58 0.01 -2.64 -1.24 0.00 -1.26 -4.13 117.38 107.54 1l2n n GLN 76 Ca 0.42 0.35 -0.37 0.00 -0.00 0.00 0.00 57.00 57.39 1l2n n GLN 76 Cb 0.75 -1.50 -0.05 0.00 0.00 0.00 0.00 30.24 29.44 1l2n n GLN 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1l2n s THR 77 N -2.97 3.91 -0.55 1.69 2.01 -1.26 -4.67 115.64 113.81 1l2n s THR 77 Ca 0.04 1.59 0.25 0.00 0.31 0.00 0.00 61.69 63.88 1l2n s THR 77 Cb 0.05 -3.88 0.28 0.00 0.01 0.00 0.00 72.50 68.96 1l2n s THR 77 CO 0.15 0.13 1.75 1.55 -0.69 0.00 0.00 174.62 177.51 1l2n h PRO 78 N 3.02 0.00 0.00 4.92 0.13 -2.01 -2.72 132.00 135.33 1l2n h PRO 78 Ca -0.47 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.26 1l2n h PRO 78 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 1l2n h PRO 78 CO 0.64 0.00 -2.40 -1.91 -0.23 0.00 0.00 178.00 174.11 1l2n n GLU 79 N -2.35 0.57 -0.30 0.86 2.13 -1.26 -4.20 120.64 116.09 1l2n n GLU 79 Ca 0.04 0.19 0.11 0.00 0.66 0.00 0.00 57.16 58.15 1l2n n GLU 79 Cb 0.34 -1.44 0.34 0.00 0.27 0.00 0.00 31.44 30.95 1l2n n GLU 79 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1l2n h ASP 80 N -0.45 0.73 -0.92 4.31 3.58 -1.89 0.26 116.42 122.04 1l2n h ASP 80 Ca -0.59 0.05 0.01 0.00 0.42 0.00 0.00 57.03 56.91 1l2n h ASP 80 Cb 1.70 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 42.61 1l2n h ASP 80 CO -0.24 0.37 0.61 0.17 -2.88 0.00 0.00 179.24 177.27 1l2n h LEU 81 N 0.77 1.06 -1.03 2.28 8.10 -1.67 1.58 115.31 126.40 1l2n h LEU 81 Ca 0.47 -0.03 0.00 0.00 0.11 0.00 0.00 57.88 58.43 1l2n h LEU 81 Cb 0.68 -0.26 0.00 0.00 -0.44 0.00 0.00 40.66 40.64 1l2n h LEU 81 CO -0.23 0.77 0.00 -0.78 -4.11 0.00 0.00 178.44 174.08 1l2n h ASP 82 N 1.25 0.00 0.00 0.17 -0.00 -0.72 -3.37 116.42 113.74 1l2n h ASP 82 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.37 1l2n h ASP 82 Cb -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.19 1l2n h ASP 82 CO -0.07 0.00 0.00 0.23 -0.00 0.00 0.00 179.24 179.40 1l2n n MET 83 N -2.64 0.00 -0.63 0.28 2.81 0.56 -5.02 117.12 112.47 1l2n n MET 83 Ca 0.01 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.60 1l2n n MET 83 Cb 0.27 -0.02 0.19 0.00 -0.71 0.00 0.00 33.22 32.95 1l2n n MET 83 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1l2n n GLU 84 N -1.52 -0.91 -3.36 0.03 4.07 0.51 -5.01 120.64 114.45 1l2n n GLU 84 Ca 0.00 -0.21 -0.25 0.00 -0.06 0.00 0.00 57.16 56.64 1l2n n GLU 84 Cb 0.00 -2.32 -0.10 0.00 -0.06 0.00 0.00 31.44 28.97 1l2n n GLU 84 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 1l2n s ASP 85 N -2.57 1.52 -0.31 4.31 1.47 -1.26 -4.57 116.67 115.26 1l2n s ASP 85 Ca 0.67 -2.71 -0.12 0.00 1.18 0.00 0.00 52.55 51.58 1l2n s ASP 85 Cb -0.23 -0.21 0.19 0.00 -0.34 0.00 0.00 42.92 42.32 1l2n s ASP 85 CO 0.60 -0.20 1.09 0.21 0.68 0.00 0.00 175.17 177.55 1l2n s ASN 86 N 0.41 -0.24 -0.33 2.11 3.84 -1.26 -4.95 114.94 114.52 1l2n s ASN 86 Ca 0.29 -0.06 -0.27 0.00 0.21 0.00 0.00 52.86 53.02 1l2n s ASN 86 Cb -0.03 0.62 0.01 0.00 -0.55 0.00 0.00 41.25 41.30 1l2n s ASN 86 CO -0.13 -0.03 0.97 -1.81 -2.79 0.00 0.00 177.10 173.30 1l2n s ASP 87 N 2.34 6.80 -0.28 -4.21 -0.00 -0.92 -4.65 116.67 115.76 1l2n s ASP 87 Ca 0.20 0.84 -0.15 0.00 -0.00 0.00 0.00 52.55 53.44 1l2n s ASP 87 Cb 0.02 -2.49 0.10 0.00 -0.00 0.00 0.00 42.92 40.55 1l2n s ASP 87 CO -0.18 -0.82 0.74 -0.51 -0.00 0.00 0.00 175.17 174.41 1l2n s ILE 88 N 3.45 -0.15 0.25 0.77 -1.16 -1.26 -0.32 121.20 122.78 1l2n s ILE 88 Ca 0.41 0.00 -0.09 0.00 -0.51 0.00 0.00 60.65 60.46 1l2n s ILE 88 Cb -0.13 -1.00 -0.01 0.00 0.61 0.00 0.00 42.46 41.93 1l2n s ILE 88 CO 0.16 0.00 0.40 -0.63 -2.81 0.00 0.00 174.94 172.06 1l2n s ILE 89 N 1.79 0.00 -0.07 2.00 1.01 -1.01 -3.79 121.20 121.13 1l2n s ILE 89 Ca -0.09 -1.57 0.05 0.00 0.00 0.00 0.00 60.65 59.04 1l2n s ILE 89 Cb -0.06 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 40.07 1l2n s ILE 89 CO -0.19 0.00 -0.23 -0.70 0.00 0.00 0.00 174.94 173.82 1l2n s GLU 90 N -3.89 2.62 -0.43 2.79 2.12 0.24 -1.05 118.70 121.09 1l2n s GLU 90 Ca 0.27 -0.85 0.04 0.00 0.36 0.00 0.00 54.97 54.79 1l2n s GLU 90 Cb 0.01 -2.12 0.12 0.00 0.26 0.00 0.00 34.13 32.39 1l2n s GLU 90 CO 0.11 0.29 0.16 0.00 -0.54 0.00 0.00 175.26 175.29 1l2n s ALA 91 N 0.06 3.04 0.96 6.30 0.00 1.00 -0.60 121.76 132.51 1l2n s ALA 91 Ca -0.09 -2.89 -0.16 0.00 0.00 0.00 0.00 51.96 48.82 1l2n s ALA 91 Cb -0.15 -2.05 0.19 0.00 0.00 0.00 0.00 23.12 21.11 1l2n s ALA 91 CO 0.05 -1.87 1.31 -1.58 0.00 0.00 0.00 175.76 173.67 1l2n s HIS 92 N 0.29 1.68 0.04 0.00 2.46 0.60 -4.40 115.29 115.96 1l2n s HIS 92 Ca 0.14 0.36 -0.03 0.00 0.47 0.00 0.00 55.06 55.99 1l2n s HIS 92 Cb -0.23 -4.06 -0.05 0.00 -0.13 0.00 0.00 32.58 28.12 1l2n s HIS 92 CO -0.04 -2.61 0.25 1.03 -2.47 0.00 0.00 174.74 170.90 1l2n s ARG 93 N -5.86 3.51 -0.51 2.88 3.00 -1.26 -1.10 118.95 119.61 1l2n s ARG 93 Ca 0.73 -0.24 0.07 0.00 0.00 0.00 0.00 55.73 56.28 1l2n s ARG 93 Cb -0.04 -3.03 0.19 0.00 0.00 0.00 0.00 34.95 32.07 1l2n s ARG 93 CO 0.53 0.61 0.75 0.39 0.00 0.00 0.00 175.30 177.58 1l2n n GLU 94 N 0.64 0.54 -3.16 3.54 1.02 -1.24 -4.64 120.64 117.35 1l2n n GLU 94 Ca -0.08 -1.98 0.03 0.00 -0.02 0.00 0.00 57.16 55.12 1l2n n GLU 94 Cb 0.52 -1.42 -0.01 0.00 -0.02 0.00 0.00 31.44 30.51 1l2n n GLU 94 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1l2n s GLN 95 N 0.86 0.56 0.00 3.49 2.00 -1.26 -4.26 119.66 121.05 1l2n s GLN 95 Ca 0.30 0.65 0.20 0.00 -2.00 0.00 0.00 55.36 54.52 1l2n s GLN 95 Cb 0.02 0.30 0.16 0.00 0.80 0.00 0.00 33.01 34.29 1l2n s GLN 95 CO -0.07 -0.93 1.15 -0.89 -0.50 0.00 0.00 175.29 174.05