#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rlz s VAL 2 N 0.00 0.00 -0.30 2.03 1.01 -1.26 -5.17 120.40 116.72 2rlz s VAL 2 Ca 0.00 -1.63 -0.19 0.00 0.00 0.00 0.00 61.98 60.16 2rlz s VAL 2 Cb 0.00 -2.36 0.19 0.00 0.00 0.00 0.00 36.38 34.21 2rlz s VAL 2 CO 0.00 0.00 1.27 0.00 0.00 0.00 0.00 175.10 176.37 2rlz s GLN 3 N -3.93 0.05 0.00 2.72 -2.07 -1.26 -5.18 119.66 109.99 2rlz s GLN 3 Ca 0.29 0.12 -0.04 0.00 -1.82 0.00 0.00 55.36 53.92 2rlz s GLN 3 Cb 0.02 0.07 -0.00 0.00 -1.09 0.00 0.00 33.01 32.01 2rlz s GLN 3 CO 0.12 -0.02 0.06 -0.65 -1.32 0.00 0.00 175.29 173.48 2rlz s GLN 4 N 2.08 0.32 0.27 9.60 -0.21 -1.26 -5.16 119.66 125.31 2rlz s GLN 4 Ca 0.00 -0.35 -0.05 0.00 0.02 0.00 0.00 55.36 54.99 2rlz s GLN 4 Cb -0.01 0.13 -0.05 0.00 1.00 0.00 0.00 33.01 34.08 2rlz s GLN 4 CO -0.16 -0.07 0.53 0.21 -2.12 0.00 0.00 175.29 173.69 2rlz s LYS 5 N -1.05 3.63 0.20 2.91 2.20 -1.26 -5.10 119.74 121.27 2rlz s LYS 5 Ca -0.11 -0.01 -0.11 0.00 -0.36 0.00 0.00 55.97 55.37 2rlz s LYS 5 Cb -0.07 -2.67 -0.00 0.00 -1.51 0.00 0.00 37.83 33.58 2rlz s LYS 5 CO 0.00 0.25 0.39 0.14 -0.36 0.00 0.00 175.35 175.77 2rlz s VAL 6 N -2.03 0.03 0.16 4.02 -7.23 -1.26 -5.17 120.40 108.92 2rlz s VAL 6 Ca 0.44 -1.32 0.04 0.00 -1.81 0.00 0.00 61.98 59.32 2rlz s VAL 6 Cb -0.11 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 2rlz s VAL 6 CO 0.29 -0.14 0.20 -1.61 -0.31 0.00 0.00 175.10 173.53 2rlz s GLU 7 N -3.98 3.12 0.00 4.82 2.02 -1.26 -5.11 118.70 118.32 2rlz s GLU 7 Ca 0.19 -0.76 -0.14 0.00 0.02 0.00 0.00 54.97 54.28 2rlz s GLU 7 Cb 0.01 -2.77 -0.06 0.00 0.10 0.00 0.00 34.13 31.41 2rlz s GLU 7 CO 0.03 0.50 0.39 0.08 0.02 0.00 0.00 175.26 176.28 2rlz s VAL 8 N -1.76 5.06 0.00 2.63 1.01 -1.26 -4.92 120.40 121.16 2rlz s VAL 8 Ca 0.32 0.77 0.00 0.00 0.00 0.00 0.00 61.98 63.07 2rlz s VAL 8 Cb -0.10 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2rlz s VAL 8 CO 0.26 0.55 0.00 -1.14 0.00 0.00 0.00 175.10 174.77 2rlz n ARG 9 N 1.74 0.00 -1.28 2.72 0.63 -1.26 -5.12 116.66 114.09 2rlz n ARG 9 Ca -0.14 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.41 2rlz n ARG 9 Cb 0.52 -0.03 0.03 0.00 0.45 0.00 0.00 32.46 33.43 2rlz n ARG 9 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2rlz n LEU 10 N 0.00 -2.27 -4.71 6.15 4.77 -1.26 -4.79 117.00 114.89 2rlz n LEU 10 Ca 0.00 0.63 -0.42 0.00 -0.03 0.00 0.00 56.01 56.19 2rlz n LEU 10 Cb 0.03 -0.96 -0.03 0.00 -2.33 0.00 0.00 43.42 40.13 2rlz n LEU 10 CO 0.00 -4.28 1.26 -0.54 -1.33 0.00 0.00 177.39 172.50 2rlz s LYS 11 N -1.55 4.21 -0.12 3.23 1.02 -1.26 -5.00 119.74 120.27 2rlz s LYS 11 Ca 0.59 2.35 0.02 0.00 0.02 0.00 0.00 55.97 58.95 2rlz s LYS 11 Cb -0.44 -3.31 -0.01 0.00 -0.52 0.00 0.00 37.83 33.55 2rlz s LYS 11 CO 0.64 -0.65 -0.19 0.95 -0.92 0.00 0.00 175.35 175.18 2rlz s THR 12 N 1.66 2.52 0.31 2.17 -4.23 -1.26 -5.11 115.64 111.70 2rlz s THR 12 Ca 0.71 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 60.38 2rlz s THR 12 Cb -0.42 -2.02 -0.00 0.00 1.34 0.00 0.00 72.50 71.40 2rlz s THR 12 CO 0.32 0.54 0.40 0.61 -0.54 0.00 0.00 174.62 175.95 2rlz n GLY 13 N 3.57 2.39 3.60 3.99 0.00 -1.26 -4.65 105.19 112.83 2rlz n GLY 13 Ca -0.19 -1.66 -0.49 0.00 0.00 0.00 0.00 46.02 43.69 2rlz n GLY 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rlz n LEU 14 N 0.00 2.93 0.00 0.99 4.77 -1.26 -4.92 117.00 119.51 2rlz n LEU 14 Ca 0.02 0.69 -0.07 0.00 -0.03 0.00 0.00 56.01 56.62 2rlz n LEU 14 Cb 0.53 -1.35 0.07 0.00 -2.33 0.00 0.00 43.42 40.35 2rlz n LEU 14 CO 0.27 -0.39 0.08 0.00 -1.33 0.00 0.00 177.39 176.02 2rlz n GLN 15 N 7.37 -0.68 0.06 3.23 1.13 -1.26 -4.66 117.38 122.56 2rlz n GLN 15 Ca 0.30 -0.35 -0.14 0.00 -1.94 0.00 0.00 57.00 54.87 2rlz n GLN 15 Cb 0.28 -0.69 -0.14 0.00 0.11 0.00 0.00 30.24 29.80 2rlz n GLN 15 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2rlz h ALA 16 N -2.13 0.33 0.41 -1.58 0.00 -1.97 -2.92 119.26 111.40 2rlz h ALA 16 Ca -0.09 -1.10 -0.02 0.00 0.00 0.00 0.00 54.91 53.69 2rlz h ALA 16 Cb 0.32 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2rlz h ALA 16 CO 0.06 1.20 -0.20 0.00 0.00 0.00 0.00 179.25 180.31 2rlz h ARG 17 N 0.05 -0.53 -0.02 0.00 3.08 -1.99 0.15 114.38 115.12 2rlz h ARG 17 Ca -0.20 0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.78 2rlz h ARG 17 Cb 1.97 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 32.13 2rlz h ARG 17 CO 0.15 -0.30 -0.48 -1.00 -1.07 0.00 0.00 179.97 177.27 2rlz h PRO 18 N -0.65 0.05 -0.06 0.04 0.13 -1.92 -2.00 132.00 127.58 2rlz h PRO 18 Ca -0.06 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 64.89 2rlz h PRO 18 Cb 0.48 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 2rlz h PRO 18 CO 0.09 0.51 -0.67 0.00 -0.23 0.00 0.00 178.00 177.71 2rlz h ALA 19 N 1.48 0.75 0.02 -0.56 0.00 -1.40 -2.20 119.26 117.34 2rlz h ALA 19 Ca -0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 2rlz h ALA 19 Cb 0.86 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2rlz h ALA 19 CO 0.06 0.77 -0.01 0.00 0.00 0.00 0.00 179.25 180.07 2rlz h ALA 20 N 1.11 -0.02 0.00 0.00 0.00 -0.51 -3.22 119.26 116.62 2rlz h ALA 20 Ca -0.02 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 2rlz h ALA 20 Cb 1.21 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2rlz h ALA 20 CO 0.11 -0.14 -0.02 -0.07 0.00 0.00 0.00 179.25 179.13 2rlz h LEU 21 N -0.78 0.00 -0.54 0.00 4.07 -1.43 -2.18 115.31 114.45 2rlz h LEU 21 Ca -0.00 0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.04 2rlz h LEU 21 Cb 0.72 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.39 2rlz h LEU 21 CO 0.00 0.02 0.17 0.15 -1.08 0.00 0.00 178.44 177.70 2rlz h PHE 22 N 0.00 0.29 -0.01 1.13 3.57 -1.40 -1.45 116.94 119.08 2rlz h PHE 22 Ca -0.00 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.35 2rlz h PHE 22 Cb 0.05 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2rlz h PHE 22 CO 0.00 0.07 -0.81 0.28 -2.23 0.00 0.00 178.31 175.62 2rlz h VAL 23 N 0.33 1.48 -0.47 1.41 2.07 -1.50 -2.73 116.25 116.84 2rlz h VAL 23 Ca 0.27 -2.51 0.09 0.00 0.82 0.00 0.00 66.70 65.37 2rlz h VAL 23 Cb 0.33 2.37 -0.08 0.00 -1.52 0.00 0.00 31.29 32.39 2rlz h VAL 23 CO -0.29 0.73 -0.02 1.56 0.02 0.00 0.00 177.57 179.56 2rlz h GLN 24 N 0.10 0.09 -0.15 1.57 1.08 -0.99 2.94 115.11 119.75 2rlz h GLN 24 Ca -0.03 -0.01 -0.18 0.00 -1.45 0.00 0.00 58.65 56.98 2rlz h GLN 24 Cb 1.41 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.82 2rlz h GLN 24 CO 0.12 0.06 -0.66 0.93 -0.95 0.00 0.00 178.83 178.33 2rlz h GLU 25 N 0.09 0.57 0.00 1.46 4.39 -1.47 -2.90 114.58 116.73 2rlz h GLU 25 Ca 0.24 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.52 2rlz h GLU 25 Cb 0.36 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2rlz h GLU 25 CO -0.42 1.04 0.00 0.00 -1.16 0.00 0.00 179.01 178.47 2rlz h ALA 26 N 0.86 1.00 -0.29 3.43 0.00 -0.85 -3.10 119.26 120.31 2rlz h ALA 26 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.98 2rlz h ALA 26 Cb 1.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2rlz h ALA 26 CO 0.12 0.00 0.52 -0.97 0.00 0.00 0.00 179.25 178.92 2rlz h ASN 27 N 0.00 0.00 -0.47 0.00 -1.24 0.54 2.09 115.58 116.50 2rlz h ASN 27 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2rlz h ASN 27 Cb 0.70 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.75 2rlz h ASN 27 CO 0.00 0.00 0.00 0.54 -1.29 0.00 0.00 177.43 176.68 2rlz n ARG 28 N -3.27 4.17 -0.30 6.67 1.74 -1.17 -4.64 116.66 119.87 2rlz n ARG 28 Ca 0.05 -2.56 -0.08 0.00 -0.77 0.00 0.00 57.85 54.49 2rlz n ARG 28 Cb 0.65 -2.12 -0.07 0.00 -1.02 0.00 0.00 32.46 29.89 2rlz n ARG 28 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 2rlz n PHE 29 N 0.51 -0.31 -0.65 -1.55 -1.74 0.71 -4.63 117.46 109.80 2rlz n PHE 29 Ca 0.23 0.88 -0.02 0.00 -0.56 0.00 0.00 57.45 57.97 2rlz n PHE 29 Cb 1.02 -0.55 -0.01 0.00 1.52 0.00 0.00 39.48 41.46 2rlz n PHE 29 CO 0.00 0.00 0.00 2.41 -0.56 0.00 0.00 176.76 178.61 2rlz n THR 30 N -4.62 0.00 -0.29 1.97 -1.04 -1.26 -4.10 114.28 104.95 2rlz n THR 30 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2rlz n THR 30 Cb 0.18 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 2rlz n THR 30 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2rlz n SER 31 N 1.33 0.00 -0.70 8.00 3.41 -1.26 -4.73 113.62 119.66 2rlz n SER 31 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2rlz n SER 31 Cb 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 2rlz n SER 31 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2rlz n ASP 32 N 0.00 -4.30 -4.65 4.04 8.00 -1.26 -3.88 116.55 114.51 2rlz n ASP 32 Ca 0.00 0.43 -0.27 0.00 0.71 0.00 0.00 54.79 55.66 2rlz n ASP 32 Cb 0.00 -1.30 -0.08 0.00 -0.02 0.00 0.00 41.12 39.72 2rlz n ASP 32 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2rlz s VAL 33 N -0.98 3.65 -0.16 2.53 1.01 -1.26 -3.85 120.40 121.35 2rlz s VAL 33 Ca 0.00 -1.44 -0.06 0.00 0.00 0.00 0.00 61.98 60.48 2rlz s VAL 33 Cb 0.00 -2.83 0.07 0.00 0.00 0.00 0.00 36.38 33.63 2rlz s VAL 33 CO 0.00 -0.10 0.34 -0.36 0.00 0.00 0.00 175.10 174.99 2rlz s PHE 34 N -1.70 -0.60 -0.04 5.22 0.08 -0.90 -4.41 117.98 115.64 2rlz s PHE 34 Ca 0.27 1.23 -0.01 0.00 0.12 0.00 0.00 56.93 58.53 2rlz s PHE 34 Cb -0.09 0.15 -0.04 0.00 -0.57 0.00 0.00 43.02 42.47 2rlz s PHE 34 CO 0.18 -0.40 0.06 -0.51 -0.10 0.00 0.00 175.22 174.45 2rlz s LEU 35 N 2.30 3.83 -0.01 -0.37 1.43 -1.26 -1.84 118.68 122.76 2rlz s LEU 35 Ca -0.02 0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 2rlz s LEU 35 Cb -0.11 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 44.01 2rlz s LEU 35 CO -0.11 0.32 0.03 -0.70 0.23 0.00 0.00 176.35 176.12 2rlz s GLU 36 N -1.41 0.04 -0.17 1.70 2.12 -0.93 -3.73 118.70 116.33 2rlz s GLU 36 Ca 0.19 0.04 -0.29 0.00 0.36 0.00 0.00 54.97 55.27 2rlz s GLU 36 Cb -0.12 0.02 0.12 0.00 0.26 0.00 0.00 34.13 34.41 2rlz s GLU 36 CO 0.09 -0.00 0.98 -1.59 -0.54 0.00 0.00 175.26 174.19 2rlz s LYS 37 N 0.01 0.62 -1.25 4.30 -2.85 -0.80 -1.71 119.74 118.05 2rlz s LYS 37 Ca -0.00 0.24 -0.12 0.00 -1.00 0.00 0.00 55.97 55.08 2rlz s LYS 37 Cb -0.00 0.29 0.11 0.00 -2.06 0.00 0.00 37.83 36.17 2rlz s LYS 37 CO 0.00 -0.18 0.46 -0.25 0.10 0.00 0.00 175.35 175.49 2rlz n ASP 38 N 1.00 -2.78 0.00 0.03 9.92 -1.26 0.11 116.55 123.57 2rlz n ASP 38 Ca -0.11 -0.50 0.00 0.00 -0.53 0.00 0.00 54.79 53.64 2rlz n ASP 38 Cb 0.57 -2.35 0.00 0.00 -0.64 0.00 0.00 41.12 38.71 2rlz n ASP 38 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2rlz n GLY 39 N -1.05 1.69 3.79 0.44 0.00 -1.26 -4.94 105.19 103.86 2rlz n GLY 39 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2rlz n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rlz s LYS 40 N 0.00 2.70 0.24 1.61 1.02 0.29 -5.07 119.74 120.53 2rlz s LYS 40 Ca 0.00 1.10 0.01 0.00 0.02 0.00 0.00 55.97 57.09 2rlz s LYS 40 Cb 0.00 -1.95 -0.04 0.00 -0.52 0.00 0.00 37.83 35.31 2rlz s LYS 40 CO 0.00 -1.29 0.13 0.21 -0.92 0.00 0.00 175.35 173.47 2rlz s LYS 41 N -4.81 1.34 0.31 1.68 2.20 -1.26 -1.90 119.74 117.30 2rlz s LYS 41 Ca 0.61 -1.72 0.05 0.00 -0.36 0.00 0.00 55.97 54.54 2rlz s LYS 41 Cb -0.16 0.04 -0.03 0.00 -1.51 0.00 0.00 37.83 36.17 2rlz s LYS 41 CO 0.52 -0.37 0.21 0.14 -0.36 0.00 0.00 175.35 175.49 2rlz s VAL 42 N -3.93 0.13 0.13 4.02 -7.23 -1.24 -5.00 120.40 107.28 2rlz s VAL 42 Ca 0.38 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.28 2rlz s VAL 42 Cb 0.07 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 2rlz s VAL 42 CO 0.14 0.00 1.61 -1.13 -0.31 0.00 0.00 175.10 175.41 2rlz h ASN 43 N 2.21 -1.03 0.00 4.85 -0.73 -1.89 -3.44 115.58 115.54 2rlz h ASN 43 Ca -0.30 0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.01 2rlz h ASN 43 Cb 1.24 0.42 0.00 0.00 0.27 0.00 0.00 38.32 40.25 2rlz h ASN 43 CO 0.45 -0.39 0.00 0.00 -0.37 0.00 0.00 177.43 177.12 2rlz n ALA 44 N -2.81 0.00 -0.09 1.57 0.00 -1.26 -4.91 120.51 113.01 2rlz n ALA 44 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2rlz n ALA 44 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 2rlz n ALA 44 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2rlz n LYS 45 N 0.00 1.74 -1.61 0.00 2.85 -1.26 -4.17 118.16 115.70 2rlz n LYS 45 Ca 0.00 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.86 2rlz n LYS 45 Cb 0.00 -0.14 0.03 0.00 -0.65 0.00 0.00 35.03 34.27 2rlz n LYS 45 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2rlz n SER 46 N 0.00 1.00 -0.12 -5.58 2.88 -1.26 -4.53 113.62 106.01 2rlz n SER 46 Ca 0.00 0.92 -0.11 0.00 -1.33 0.00 0.00 58.87 58.36 2rlz n SER 46 Cb 0.00 -1.37 -0.02 0.00 -0.75 0.00 0.00 64.21 62.07 2rlz n SER 46 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2rlz h ILE 47 N 1.05 1.26 -0.29 2.46 2.04 -1.99 -2.47 117.51 119.57 2rlz h ILE 47 Ca -0.47 -0.98 0.08 0.00 1.00 0.00 0.00 64.86 64.50 2rlz h ILE 47 Cb 1.35 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 2rlz h ILE 47 CO 0.54 0.32 0.61 -0.03 0.00 0.00 0.00 178.15 179.60 2rlz h MET 48 N 0.42 0.00 -0.01 2.37 4.05 -1.99 0.26 114.93 120.03 2rlz h MET 48 Ca 0.10 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.47 2rlz h MET 48 Cb 0.46 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.26 2rlz h MET 48 CO 0.02 0.00 -0.20 0.78 0.23 0.00 0.00 176.91 177.74 2rlz h GLY 49 N 0.00 0.17 0.89 1.39 0.00 -1.80 -2.53 103.07 101.19 2rlz h GLY 49 Ca 0.14 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 2rlz h GLY 49 CO -0.00 0.24 -0.06 1.41 0.00 0.00 0.00 176.54 178.13 2rlz h LEU 50 N -0.50 0.57 -1.58 3.11 3.38 -0.61 -2.87 115.31 116.81 2rlz h LEU 50 Ca -0.02 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.61 2rlz h LEU 50 Cb 0.92 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2rlz h LEU 50 CO 0.04 0.79 0.30 -0.03 0.09 0.00 0.00 178.44 179.63 2rlz h MET 51 N 0.34 0.55 0.61 1.13 4.05 -1.24 -2.81 114.93 117.57 2rlz h MET 51 Ca 0.08 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.44 2rlz h MET 51 Cb 0.53 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 31.21 2rlz h MET 51 CO 0.03 0.37 -0.36 1.03 0.23 0.00 0.00 176.91 178.20 2rlz h SER 52 N 0.57 -0.89 -0.16 1.39 0.87 -1.22 -3.44 113.55 110.67 2rlz h SER 52 Ca 0.17 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2rlz h SER 52 Cb -0.01 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2rlz h SER 52 CO -0.04 -0.57 0.00 0.18 -0.53 0.00 0.00 176.83 175.87 2rlz n LEU 53 N -5.50 0.00 0.00 2.23 4.77 -1.06 -5.12 117.00 112.32 2rlz n LEU 53 Ca -0.13 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.78 2rlz n LEU 53 Cb 0.39 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 2rlz n LEU 53 CO 0.35 0.00 0.07 0.00 -1.33 0.00 0.00 177.39 176.48 2rlz n ALA 54 N -3.00 -0.11 -3.60 -1.18 0.00 -1.26 -4.96 120.51 106.40 2rlz n ALA 54 Ca 0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 53.44 52.64 2rlz n ALA 54 Cb 0.00 0.61 -0.02 0.00 0.00 0.00 0.00 19.45 20.04 2rlz n ALA 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2rlz s VAL 55 N -2.61 0.00 0.15 0.00 0.11 -1.26 -5.09 120.40 111.70 2rlz s VAL 55 Ca 0.14 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.02 2rlz s VAL 55 Cb -0.00 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.88 2rlz s VAL 55 CO 0.10 0.00 0.44 -0.44 -3.33 0.00 0.00 175.10 171.87 2rlz s SER 56 N -2.14 -0.24 0.51 3.54 0.01 -1.26 -4.60 113.70 109.51 2rlz s SER 56 Ca 0.09 -0.38 -0.20 0.00 1.31 0.00 0.00 55.95 56.78 2rlz s SER 56 Cb -0.01 0.51 -0.10 0.00 0.21 0.00 0.00 66.02 66.63 2rlz s SER 56 CO -0.04 -0.92 0.55 1.07 0.41 0.00 0.00 173.24 174.31 2rlz n THR 57 N -0.27 2.06 -0.96 1.44 5.66 -1.26 -1.42 114.28 119.53 2rlz n THR 57 Ca -0.14 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.36 2rlz n THR 57 Cb 0.63 -0.66 0.00 0.00 -1.55 0.00 0.00 70.33 68.75 2rlz n THR 57 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2rlz n GLY 58 N 1.75 0.91 3.93 1.09 0.00 -1.26 -5.02 105.19 106.60 2rlz n GLY 58 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 2rlz n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rlz s THR 59 N -3.62 4.32 0.17 2.61 2.01 -0.51 -5.11 115.64 115.51 2rlz s THR 59 Ca 0.00 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 61.77 2rlz s THR 59 Cb 0.00 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 2rlz s THR 59 CO 0.00 -0.51 -0.02 -1.83 -0.69 0.00 0.00 174.62 171.57 2rlz s GLU 60 N -4.64 1.10 -0.04 4.92 -1.05 -1.26 -5.01 118.70 112.72 2rlz s GLU 60 Ca 0.48 -1.52 -0.02 0.00 -0.15 0.00 0.00 54.97 53.76 2rlz s GLU 60 Cb -0.10 -0.35 0.03 0.00 -0.44 0.00 0.00 34.13 33.27 2rlz s GLU 60 CO 0.40 -0.09 0.06 0.54 0.95 0.00 0.00 175.26 177.13 2rlz s VAL 61 N -3.58 -0.10 -0.74 1.83 0.11 -1.26 -4.86 120.40 111.79 2rlz s VAL 61 Ca 0.22 0.36 -0.27 0.00 -2.93 0.00 0.00 61.98 59.37 2rlz s VAL 61 Cb 0.05 -0.14 0.03 0.00 -1.53 0.00 0.00 36.38 34.79 2rlz s VAL 61 CO 0.03 0.15 1.26 -0.89 -3.33 0.00 0.00 175.10 172.32 2rlz s THR 62 N 1.85 3.77 0.06 5.04 2.01 -0.69 -4.91 115.64 122.76 2rlz s THR 62 Ca 0.01 0.35 -0.22 0.00 0.31 0.00 0.00 61.69 62.13 2rlz s THR 62 Cb -0.12 -4.90 -0.06 0.00 0.01 0.00 0.00 72.50 67.42 2rlz s THR 62 CO -0.03 -1.83 0.65 -0.22 -0.69 0.00 0.00 174.62 172.50 2rlz s LEU 63 N 5.61 4.49 -0.06 4.42 0.20 -1.26 -2.18 118.68 129.90 2rlz s LEU 63 Ca 0.34 1.33 0.01 0.00 0.69 0.00 0.00 54.13 56.50 2rlz s LEU 63 Cb -0.09 -3.04 0.02 0.00 -0.43 0.00 0.00 46.19 42.66 2rlz s LEU 63 CO 0.14 0.16 -0.05 -0.63 -0.29 0.00 0.00 176.35 175.68 2rlz s ILE 64 N -0.60 0.63 -0.15 6.68 1.01 -0.77 -4.99 121.20 123.01 2rlz s ILE 64 Ca 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.81 2rlz s ILE 64 Cb -0.20 -0.66 0.04 0.00 0.01 0.00 0.00 42.46 41.66 2rlz s ILE 64 CO 0.20 0.26 -0.02 0.00 0.00 0.00 0.00 174.94 175.38 2rlz s ALA 65 N 1.06 1.18 -0.44 9.38 0.00 -1.26 -2.11 121.76 129.58 2rlz s ALA 65 Ca -0.09 -0.64 -0.08 0.00 0.00 0.00 0.00 51.96 51.15 2rlz s ALA 65 Cb -0.14 -1.05 0.10 0.00 0.00 0.00 0.00 23.12 22.02 2rlz s ALA 65 CO -0.01 -0.81 0.28 -0.65 0.00 0.00 0.00 175.76 174.58 2rlz s GLN 66 N 1.77 2.49 0.00 0.00 -0.21 -1.25 -4.89 119.66 117.57 2rlz s GLN 66 Ca 0.01 -1.61 0.00 0.00 0.02 0.00 0.00 55.36 53.78 2rlz s GLN 66 Cb -0.15 -3.81 0.00 0.00 1.00 0.00 0.00 33.01 30.05 2rlz s GLN 66 CO -0.07 -1.05 0.00 0.41 -2.12 0.00 0.00 175.29 172.45 2rlz n GLY 67 N 4.88 -1.61 0.10 3.09 0.00 -1.26 -4.61 105.19 105.77 2rlz n GLY 67 Ca -0.08 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 2rlz n GLY 67 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rlz n GLU 68 N -0.15 0.68 0.00 1.61 1.02 -1.26 -3.92 120.64 118.62 2rlz n GLU 68 Ca 0.00 0.22 0.10 0.00 -0.02 0.00 0.00 57.16 57.46 2rlz n GLU 68 Cb 0.00 -1.69 0.55 0.00 -0.02 0.00 0.00 31.44 30.27 2rlz n GLU 68 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2rlz n ASP 69 N -3.12 0.00 0.00 1.62 9.92 -1.26 -3.44 116.55 120.26 2rlz n ASP 69 Ca -0.27 -0.21 0.00 0.00 -0.53 0.00 0.00 54.79 53.78 2rlz n ASP 69 Cb 1.07 -0.19 0.00 0.00 -0.64 0.00 0.00 41.12 41.35 2rlz n ASP 69 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2rlz n GLU 70 N -1.19 0.00 -0.21 -1.24 -0.00 -1.25 -2.23 120.64 114.51 2rlz n GLU 70 Ca 0.12 0.17 0.01 0.00 -0.00 0.00 0.00 57.16 57.46 2rlz n GLU 70 Cb 0.13 -1.58 0.12 0.00 -0.00 0.00 0.00 31.44 30.11 2rlz n GLU 70 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 2rlz h GLN 71 N 0.00 0.21 -0.01 3.44 4.15 -1.88 0.48 115.11 121.50 2rlz h GLN 71 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2rlz h GLN 71 Cb 0.17 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 2rlz h GLN 71 CO 0.00 0.14 0.01 0.93 -1.93 0.00 0.00 178.83 177.98 2rlz h GLU 72 N 0.22 0.00 0.29 1.69 3.07 -1.80 1.15 114.58 119.19 2rlz h GLU 72 Ca 0.33 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.18 2rlz h GLU 72 Cb 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 2rlz h GLU 72 CO -0.45 0.00 -0.14 0.00 -1.40 0.00 0.00 179.01 177.02 2rlz h ALA 73 N 1.99 -0.39 0.19 3.43 0.00 -0.26 0.16 119.26 124.39 2rlz h ALA 73 Ca 0.00 -0.18 -0.32 0.00 0.00 0.00 0.00 54.91 54.41 2rlz h ALA 73 Cb 0.02 0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.98 2rlz h ALA 73 CO -0.00 -0.55 -1.49 -0.07 0.00 0.00 0.00 179.25 177.13 2rlz h LEU 74 N -0.72 0.64 0.19 0.00 -0.00 -1.14 -2.18 115.31 112.10 2rlz h LEU 74 Ca -0.04 -0.76 -0.01 0.00 -0.00 0.00 0.00 57.88 57.07 2rlz h LEU 74 Cb 0.49 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.94 2rlz h LEU 74 CO 0.07 1.61 -0.09 -0.08 -0.00 0.00 0.00 178.44 179.94 2rlz h GLU 75 N 0.11 -0.24 0.01 1.13 4.57 0.12 -3.31 114.58 116.97 2rlz h GLU 75 Ca -0.25 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 57.95 2rlz h GLU 75 Cb 2.09 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.74 2rlz h GLU 75 CO 0.22 -0.16 -0.00 -0.22 -1.18 0.00 0.00 179.01 177.67 2rlz h LYS 76 N -0.43 -0.01 -0.69 1.92 1.63 -1.30 -3.27 116.57 114.42 2rlz h LYS 76 Ca -0.03 0.00 0.14 0.00 -0.85 0.00 0.00 60.65 59.92 2rlz h LYS 76 Cb 0.19 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 31.72 2rlz h LYS 76 CO 0.04 -0.01 0.15 -0.07 -3.45 0.00 0.00 179.45 176.12 2rlz h LEU 77 N -0.54 -0.00 -1.05 5.20 4.07 -0.77 0.12 115.31 122.35 2rlz h LEU 77 Ca -0.00 0.13 0.08 0.00 0.08 0.00 0.00 57.88 58.17 2rlz h LEU 77 Cb 0.01 0.18 -0.07 0.00 1.08 0.00 0.00 40.66 41.86 2rlz h LEU 77 CO 0.00 -0.02 0.63 0.00 -1.08 0.00 0.00 178.44 177.97 2rlz h ALA 78 N 1.57 1.46 0.17 1.53 0.00 -1.48 0.84 119.26 123.35 2rlz h ALA 78 Ca 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 2rlz h ALA 78 Cb 0.62 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2rlz h ALA 78 CO -0.48 0.38 -0.08 0.00 0.00 0.00 0.00 179.25 179.07 2rlz h ALA 79 N 1.49 -0.23 -0.92 0.00 0.00 -0.95 -2.09 119.26 116.55 2rlz h ALA 79 Ca 0.44 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2rlz h ALA 79 Cb 0.24 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2rlz h ALA 79 CO -0.18 -0.38 0.60 1.88 0.00 0.00 0.00 179.25 181.17 2rlz h TYR 80 N -0.73 1.17 0.00 0.00 -1.99 -0.55 0.30 116.97 115.17 2rlz h TYR 80 Ca -0.02 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2rlz h TYR 80 Cb 0.51 -0.39 0.00 0.00 2.00 0.00 0.00 36.73 38.84 2rlz h TYR 80 CO 0.07 0.74 0.00 0.28 -0.00 0.00 0.00 178.16 179.25 2rlz h VAL 81 N 1.25 0.00 -0.27 -2.88 2.07 0.68 -1.88 116.25 115.22 2rlz h VAL 81 Ca 0.34 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2rlz h VAL 81 Cb -0.13 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2rlz h VAL 81 CO -0.07 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.52 2rlz n GLN 82 N -2.66 2.22 -2.73 1.57 6.02 -0.13 -4.96 117.38 116.71 2rlz n GLN 82 Ca 0.01 -1.84 -0.20 0.00 -0.01 0.00 0.00 57.00 54.96 2rlz n GLN 82 Cb 0.22 -1.27 0.01 0.00 1.02 0.00 0.00 30.24 30.22 2rlz n GLN 82 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2rlz n GLU 83 N 0.62 -3.07 -3.44 -1.09 -0.58 0.45 -4.95 120.64 108.58 2rlz n GLU 83 Ca 0.11 0.84 -0.37 0.00 -0.42 0.00 0.00 57.16 57.31 2rlz n GLU 83 Cb 0.40 -5.56 -0.07 0.00 -0.57 0.00 0.00 31.44 25.64 2rlz n GLU 83 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2rlz s GLU 84 N -5.38 4.26 0.00 3.49 2.56 0.78 -5.00 118.70 119.42 2rlz s GLU 84 Ca 0.15 0.21 0.00 0.00 0.00 0.00 0.00 54.97 55.33 2rlz s GLU 84 Cb -0.07 -3.46 0.00 0.00 2.00 0.00 0.00 34.13 32.60 2rlz s GLU 84 CO 0.18 0.15 0.00 1.33 -0.56 0.00 0.00 175.26 176.36