#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 0.01 -0.15 1.12 1.01 -1.26 -5.18 120.40 115.95 2rlz s VAL 2 Ca 0.00 -0.27 -0.26 0.00 0.00 0.00 0.00 61.98 61.45 2rlz s VAL 2 Cb 0.00 -1.20 0.06 0.00 0.00 0.00 0.00 36.38 35.24 2rlz s VAL 2 CO 0.00 -0.05 0.65 0.00 0.00 0.00 0.00 175.10 175.70 2rlz s GLN 3 N -3.79 0.89 0.07 2.72 -2.07 -1.26 -5.18 119.66 111.04 2rlz s GLN 3 Ca 0.03 0.59 -0.03 0.00 -1.82 0.00 0.00 55.36 54.13 2rlz s GLN 3 Cb -0.01 0.42 -0.03 0.00 -1.09 0.00 0.00 33.01 32.30 2rlz s GLN 3 CO -0.09 -0.19 0.04 -1.14 -1.32 0.00 0.00 175.29 172.59 2rlz s GLN 4 N -0.38 0.71 0.88 9.60 0.74 -1.26 -5.16 119.66 124.79 2rlz s GLN 4 Ca -0.05 -1.17 -0.12 0.00 0.05 0.00 0.00 55.36 54.07 2rlz s GLN 4 Cb -0.03 0.25 0.12 0.00 1.10 0.00 0.00 33.01 34.45 2rlz s GLN 4 CO 0.05 -0.17 1.10 0.21 -0.55 0.00 0.00 175.29 175.92 2rlz s LYS 5 N -3.92 1.43 0.36 1.67 2.20 -1.26 -5.08 119.74 115.15 2rlz s LYS 5 Ca 0.08 0.71 -0.04 0.00 -0.36 0.00 0.00 55.97 56.36 2rlz s LYS 5 Cb 0.07 -1.84 0.01 0.00 -1.51 0.00 0.00 37.83 34.56 2rlz s LYS 5 CO -0.09 -2.09 0.53 0.14 -0.36 0.00 0.00 175.35 173.48 2rlz s VAL 6 N -3.02 0.00 0.08 4.02 -7.23 -1.26 -5.18 120.40 107.81 2rlz s VAL 6 Ca 0.63 -1.50 0.09 0.00 -1.81 0.00 0.00 61.98 59.39 2rlz s VAL 6 Cb -0.17 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.04 2rlz s VAL 6 CO 0.56 0.00 -0.23 -0.70 -0.31 0.00 0.00 175.10 174.41 2rlz s GLU 7 N -2.86 1.39 0.19 4.82 2.12 -1.26 -5.13 118.70 117.96 2rlz s GLU 7 Ca 0.28 -1.14 -0.20 0.00 0.36 0.00 0.00 54.97 54.27 2rlz s GLU 7 Cb -0.01 -1.66 -0.08 0.00 0.26 0.00 0.00 34.13 32.64 2rlz s GLU 7 CO 0.19 0.41 0.69 0.08 -0.54 0.00 0.00 175.26 176.10 2rlz s VAL 8 N -0.97 4.59 0.00 3.70 1.01 -1.26 -4.92 120.40 122.55 2rlz s VAL 8 Ca 0.10 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.37 2rlz s VAL 8 Cb -0.10 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.39 2rlz s VAL 8 CO 0.04 0.31 0.00 -1.14 0.00 0.00 0.00 175.10 174.30 2rlz n ARG 9 N 1.00 2.10 -0.70 2.72 0.63 -1.26 -5.12 116.66 116.03 2rlz n ARG 9 Ca -0.04 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.69 2rlz n ARG 9 Cb 0.51 -0.18 0.09 0.00 0.45 0.00 0.00 32.46 33.33 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 -1.99 -4.90 6.15 4.77 -1.26 -4.94 117.00 114.82 2rlz n LEU 10 Ca 0.00 -0.18 -0.28 0.00 -0.03 0.00 0.00 56.01 55.52 2rlz n LEU 10 Cb 0.00 -0.68 -0.02 0.00 -2.33 0.00 0.00 43.42 40.40 2rlz n LEU 10 CO 0.00 -2.78 0.38 -0.54 -1.33 0.00 0.00 177.39 173.12 2rlz s LYS 11 N -2.82 3.62 0.13 3.23 1.02 -1.26 -5.10 119.74 118.56 2rlz s LYS 11 Ca 0.31 0.20 -0.00 0.00 0.02 0.00 0.00 55.97 56.50 2rlz s LYS 11 Cb -0.02 -2.45 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 2rlz s LYS 11 CO 0.37 -0.06 0.03 0.95 -0.92 0.00 0.00 175.35 175.72 2rlz s THR 12 N -2.49 0.28 0.00 2.17 -4.23 -1.26 -5.17 115.64 104.95 2rlz s THR 12 Ca 0.47 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 2rlz s THR 12 Cb -0.10 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.77 2rlz s THR 12 CO 0.38 -0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.50 2rlz n GLY 13 N -0.10 1.10 3.45 3.99 0.00 -1.26 -4.00 105.19 108.37 2rlz n GLY 13 Ca -0.07 -0.92 -0.52 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.63 0.00 0.99 4.77 -1.26 -4.93 117.00 115.94 2rlz n LEU 14 Ca 0.00 1.14 -0.02 0.00 -0.03 0.00 0.00 56.01 57.10 2rlz n LEU 14 Cb 0.00 -0.96 0.01 0.00 -2.33 0.00 0.00 43.42 40.15 2rlz n LEU 14 CO 0.00 -2.50 0.04 0.00 -1.33 0.00 0.00 177.39 173.60 2rlz n GLN 15 N 1.21 -1.09 0.12 3.23 6.02 -1.26 -4.85 117.38 120.75 2rlz n GLN 15 Ca 0.18 -0.10 0.05 0.00 -0.01 0.00 0.00 57.00 57.12 2rlz n GLN 15 Cb 0.19 -0.09 0.01 0.00 1.02 0.00 0.00 30.24 31.37 2rlz n GLN 15 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2rlz h ALA 16 N -2.04 0.69 0.14 -1.58 0.00 -1.99 -3.08 119.26 111.40 2rlz h ALA 16 Ca -0.02 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2rlz h ALA 16 Cb 0.07 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2rlz h ALA 16 CO 0.02 0.52 -0.07 0.00 0.00 0.00 0.00 179.25 179.72 2rlz h ARG 17 N 0.00 -0.18 0.00 0.00 -0.00 -2.01 -3.00 114.38 109.20 2rlz h ARG 17 Ca -0.05 0.01 -0.04 0.00 -0.50 0.00 0.00 59.98 59.40 2rlz h ARG 17 Cb 1.32 0.04 -0.01 0.00 0.00 0.00 0.00 29.97 31.33 2rlz h ARG 17 CO 0.04 0.28 -0.20 -1.00 0.00 0.00 0.00 179.97 179.08 2rlz h PRO 18 N -0.84 0.00 -0.06 0.04 0.13 -1.95 -2.83 132.00 126.48 2rlz h PRO 18 Ca -0.02 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.98 2rlz h PRO 18 Cb 0.54 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 2rlz h PRO 18 CO 0.03 0.20 -0.54 0.00 -0.23 0.00 0.00 178.00 177.47 2rlz h ALA 19 N 1.80 0.98 -0.01 -0.56 0.00 -1.60 -1.55 119.26 118.31 2rlz h ALA 19 Ca -0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2rlz h ALA 19 Cb 0.64 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2rlz h ALA 19 CO 0.03 0.68 -0.08 0.00 0.00 0.00 0.00 179.25 179.88 2rlz h ALA 20 N 1.31 0.03 -0.40 0.00 0.00 -1.35 -3.26 119.26 115.58 2rlz h ALA 20 Ca 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 2rlz h ALA 20 Cb 1.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2rlz h ALA 20 CO 0.08 -0.07 0.06 -0.07 0.00 0.00 0.00 179.25 179.25 2rlz h LEU 21 N -0.57 0.56 -0.75 0.00 -0.00 -1.56 -2.86 115.31 110.14 2rlz h LEU 21 Ca -0.01 -0.09 0.17 0.00 -0.00 0.00 0.00 57.88 57.95 2rlz h LEU 21 Cb 0.76 -0.15 -0.14 0.00 -0.00 0.00 0.00 40.66 41.14 2rlz h LEU 21 CO 0.02 0.59 -0.06 0.15 -0.00 0.00 0.00 178.44 179.14 2rlz h PHE 22 N 0.59 -0.16 -0.02 1.13 3.04 -1.32 0.11 116.94 120.30 2rlz h PHE 22 Ca 0.13 0.06 -0.20 0.00 3.98 0.00 0.00 57.97 61.94 2rlz h PHE 22 Cb 0.28 0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.97 2rlz h PHE 22 CO 0.01 -0.27 -0.84 0.28 -2.02 0.00 0.00 178.31 175.47 2rlz h VAL 23 N 0.06 1.43 -0.99 1.41 2.07 -1.61 -3.21 116.25 115.42 2rlz h VAL 23 Ca 0.40 -2.41 0.18 0.00 0.82 0.00 0.00 66.70 65.69 2rlz h VAL 23 Cb 0.68 2.34 -0.10 0.00 -1.52 0.00 0.00 31.29 32.69 2rlz h VAL 23 CO -0.70 0.71 0.61 1.56 0.02 0.00 0.00 177.57 179.78 2rlz h GLN 24 N 0.18 0.72 -0.19 1.57 1.08 -0.60 2.58 115.11 120.45 2rlz h GLN 24 Ca -0.05 -0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 57.03 2rlz h GLN 24 Cb 1.45 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 28.71 2rlz h GLN 24 CO 0.14 0.47 -0.19 0.93 -0.95 0.00 0.00 178.83 179.23 2rlz h GLU 25 N 0.74 0.46 0.00 1.46 4.39 -1.40 -2.98 114.58 117.25 2rlz h GLU 25 Ca 0.54 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 60.00 2rlz h GLU 25 Cb 0.88 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 2rlz h GLU 25 CO -0.32 0.82 0.00 0.00 -1.16 0.00 0.00 179.01 178.35 2rlz h ALA 26 N 0.63 1.00 -0.23 3.43 0.00 -1.19 -3.10 119.26 119.80 2rlz h ALA 26 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.01 2rlz h ALA 26 Cb 0.74 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2rlz h ALA 26 CO 0.05 0.00 0.23 -0.97 0.00 0.00 0.00 179.25 178.56 2rlz h ASN 27 N 0.00 0.00 -0.25 0.00 -0.73 0.46 0.80 115.58 115.86 2rlz h ASN 27 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2rlz h ASN 27 Cb 0.81 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.40 2rlz h ASN 27 CO 0.00 0.00 0.00 0.54 -0.37 0.00 0.00 177.43 177.60 2rlz n ARG 28 N -3.90 1.95 -2.31 6.67 1.74 -1.17 -4.92 116.66 114.71 2rlz n ARG 28 Ca 0.03 -1.44 -0.31 0.00 -0.77 0.00 0.00 57.85 55.36 2rlz n ARG 28 Cb 0.37 -1.42 -0.02 0.00 -1.02 0.00 0.00 32.46 30.38 2rlz n ARG 28 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2rlz s PHE 29 N -1.68 3.52 0.00 -1.55 5.36 0.28 -4.97 117.98 118.94 2rlz s PHE 29 Ca 0.33 1.28 0.00 0.00 -0.96 0.00 0.00 56.93 57.59 2rlz s PHE 29 Cb 0.18 -2.67 0.00 0.00 -0.34 0.00 0.00 43.02 40.19 2rlz s PHE 29 CO 0.27 -0.43 0.00 0.25 -1.46 0.00 0.00 175.22 173.85 2rlz n THR 30 N -1.99 0.00 0.07 0.12 -2.24 -1.26 -4.81 114.28 104.17 2rlz n THR 30 Ca 0.05 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.88 2rlz n THR 30 Cb 0.54 0.91 0.23 0.00 -2.10 0.00 0.00 70.33 69.92 2rlz n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2rlz n SER 31 N 0.00 3.43 -1.09 3.42 7.64 -1.26 -5.01 113.62 120.75 2rlz n SER 31 Ca 0.00 -2.40 0.00 0.00 1.01 0.00 0.00 58.87 57.48 2rlz n SER 31 Cb 0.01 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 2rlz n SER 31 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2rlz n ASP 32 N 0.50 -6.28 -4.10 6.43 8.00 -1.26 -4.01 116.55 115.83 2rlz n ASP 32 Ca 0.16 0.82 -0.28 0.00 0.71 0.00 0.00 54.79 56.20 2rlz n ASP 32 Cb 0.69 -2.74 -0.17 0.00 -0.02 0.00 0.00 41.12 38.89 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 -2.24 1.54 -0.11 2.53 1.01 -1.26 -4.46 120.40 117.42 2rlz s VAL 33 Ca 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 2rlz s VAL 33 Cb 0.00 -1.37 0.05 0.00 0.00 0.00 0.00 36.38 35.06 2rlz s VAL 33 CO 0.00 0.45 0.21 -0.36 0.00 0.00 0.00 175.10 175.40 2rlz s PHE 34 N 0.65 -0.30 0.15 5.22 0.40 -1.15 -4.19 117.98 118.76 2rlz s PHE 34 Ca -0.14 0.79 0.03 0.00 -0.60 0.00 0.00 56.93 57.01 2rlz s PHE 34 Cb -0.16 -0.12 -0.04 0.00 0.51 0.00 0.00 43.02 43.22 2rlz s PHE 34 CO 0.04 -0.30 0.22 -0.51 0.70 0.00 0.00 175.22 175.37 2rlz s LEU 35 N 2.16 4.12 0.02 -0.37 1.02 -1.26 -1.33 118.68 123.04 2rlz s LEU 35 Ca 0.00 0.05 -0.12 0.00 0.02 0.00 0.00 54.13 54.08 2rlz s LEU 35 Cb -0.12 -2.71 0.01 0.00 0.02 0.00 0.00 46.19 43.40 2rlz s LEU 35 CO -0.07 0.06 0.26 -0.70 0.02 0.00 0.00 176.35 175.92 2rlz s GLU 36 N -3.15 0.70 -0.28 1.70 2.12 -1.00 -3.62 118.70 115.17 2rlz s GLU 36 Ca 0.33 -0.42 -0.27 0.00 0.36 0.00 0.00 54.97 54.97 2rlz s GLU 36 Cb -0.11 0.30 0.18 0.00 0.26 0.00 0.00 34.13 34.76 2rlz s GLU 36 CO 0.26 -0.20 1.35 -1.59 -0.54 0.00 0.00 175.26 174.54 2rlz s LYS 37 N -2.00 0.13 -1.47 4.30 -2.85 -0.21 -0.53 119.74 117.11 2rlz s LYS 37 Ca -0.09 0.09 -0.10 0.00 -1.00 0.00 0.00 55.97 54.87 2rlz s LYS 37 Cb -0.03 0.06 0.10 0.00 -2.06 0.00 0.00 37.83 35.90 2rlz s LYS 37 CO -0.00 -0.03 0.26 -3.47 0.10 0.00 0.00 175.35 172.21 2rlz n ASP 38 N 1.16 -0.38 0.00 0.03 2.03 -1.26 0.32 116.55 118.45 2rlz n ASP 38 Ca -0.07 -1.08 0.00 0.00 0.52 0.00 0.00 54.79 54.17 2rlz n ASP 38 Cb 0.58 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.62 2rlz n ASP 38 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rlz n GLY 39 N -1.66 1.67 3.77 0.27 0.00 -1.26 -4.94 105.19 103.05 2rlz n GLY 39 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 3.36 -0.05 1.61 1.02 0.96 -5.05 119.74 121.59 2rlz s LYS 40 Ca 0.00 1.68 -0.09 0.00 0.02 0.00 0.00 55.97 57.58 2rlz s LYS 40 Cb 0.00 -2.06 0.02 0.00 -0.52 0.00 0.00 37.83 35.27 2rlz s LYS 40 CO 0.00 -0.86 0.22 0.21 -0.92 0.00 0.00 175.35 174.00 2rlz s LYS 41 N -3.19 0.38 0.28 1.68 2.20 -1.26 -1.05 119.74 118.78 2rlz s LYS 41 Ca 0.72 0.07 0.07 0.00 -0.36 0.00 0.00 55.97 56.47 2rlz s LYS 41 Cb -0.26 0.17 -0.03 0.00 -1.51 0.00 0.00 37.83 36.20 2rlz s LYS 41 CO 0.29 -0.07 0.22 0.14 -0.36 0.00 0.00 175.35 175.57 2rlz s VAL 42 N -0.46 4.13 0.00 4.02 -7.23 -1.24 -5.04 120.40 114.58 2rlz s VAL 42 Ca -0.06 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 2rlz s VAL 42 Cb -0.04 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.59 2rlz s VAL 42 CO 0.01 -0.29 0.90 -3.20 -0.31 0.00 0.00 175.10 172.21 2rlz n ASN 43 N -1.23 0.00 0.00 4.85 4.05 -1.26 -4.61 115.26 117.06 2rlz n ASN 43 Ca -0.06 0.90 0.00 0.00 0.45 0.00 0.00 54.58 55.87 2rlz n ASN 43 Cb 0.58 -0.45 0.00 0.00 1.23 0.00 0.00 39.78 41.14 2rlz n ASN 43 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2rlz n ALA 44 N -2.90 0.00 -2.64 5.20 0.00 -1.26 -4.89 120.51 114.02 2rlz n ALA 44 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2rlz n ALA 44 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 0.08 -4.43 0.00 2.85 -1.26 -4.17 118.16 111.22 2rlz n LYS 45 Ca 0.00 -0.54 -0.22 0.00 -1.05 0.00 0.00 58.31 56.50 2rlz n LYS 45 Cb 0.00 -0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.25 2rlz n LYS 45 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2rlz s SER 46 N -0.08 1.99 0.01 -5.58 0.15 -1.26 -4.84 113.70 104.09 2rlz s SER 46 Ca 0.01 -0.50 -0.25 0.00 0.70 0.00 0.00 55.95 55.91 2rlz s SER 46 Cb 0.03 -0.14 -0.18 0.00 -1.71 0.00 0.00 66.02 64.02 2rlz s SER 46 CO -0.01 0.07 1.38 0.40 1.20 0.00 0.00 173.24 176.28 2rlz h ILE 47 N 4.42 1.12 -0.90 6.45 2.04 -1.95 -2.76 117.51 125.93 2rlz h ILE 47 Ca -0.40 -0.73 0.26 0.00 1.00 0.00 0.00 64.86 64.99 2rlz h ILE 47 Cb 1.17 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 38.81 2rlz h ILE 47 CO 0.43 0.18 0.68 -0.03 0.00 0.00 0.00 178.15 179.41 2rlz h MET 48 N -0.43 0.00 0.33 2.37 4.05 -1.97 0.17 114.93 119.45 2rlz h MET 48 Ca -0.01 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.39 2rlz h MET 48 Cb 0.37 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.18 2rlz h MET 48 CO 0.02 0.00 -0.16 0.78 0.23 0.00 0.00 176.91 177.78 2rlz h GLY 49 N 0.00 -0.46 1.68 1.39 0.00 -1.92 -1.22 103.07 102.55 2rlz h GLY 49 Ca 0.43 0.17 -0.09 0.00 0.00 0.00 0.00 47.33 47.84 2rlz h GLY 49 CO -0.00 -0.17 -0.29 1.41 0.00 0.00 0.00 176.54 177.49 2rlz h LEU 50 N -0.70 0.37 -1.63 3.11 3.38 -1.05 -2.18 115.31 116.60 2rlz h LEU 50 Ca -0.04 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2rlz h LEU 50 Cb 0.49 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2rlz h LEU 50 CO 0.07 0.65 -0.04 -0.03 0.09 0.00 0.00 178.44 179.19 2rlz h MET 51 N 0.32 0.00 0.03 1.13 4.05 -0.67 -3.07 114.93 116.72 2rlz h MET 51 Ca 0.05 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.46 2rlz h MET 51 Cb 0.67 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.47 2rlz h MET 51 CO 0.05 0.04 -0.01 0.77 0.23 0.00 0.00 176.91 177.99 2rlz h SER 52 N 0.00 -0.03 -2.47 1.39 0.02 -0.55 -3.46 113.55 108.44 2rlz h SER 52 Ca -0.00 -0.61 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 2rlz h SER 52 Cb 0.47 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2rlz h SER 52 CO 0.00 0.61 0.00 0.18 -1.14 0.00 0.00 176.83 176.49 2rlz n LEU 53 N -4.80 0.00 0.00 5.07 4.77 -1.16 -5.12 117.00 115.76 2rlz n LEU 53 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2rlz n LEU 53 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2rlz n LEU 53 CO 0.32 -0.30 0.00 0.00 -1.33 0.00 0.00 177.39 176.08 2rlz n ALA 54 N -3.00 0.00 -3.59 -1.18 0.00 -1.26 -4.93 120.51 106.55 2rlz n ALA 54 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2rlz n ALA 54 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.23 0.00 0.43 0.00 0.11 -1.26 -5.01 120.40 113.45 2rlz s VAL 55 Ca 0.00 -0.26 0.03 0.00 -2.93 0.00 0.00 61.98 58.82 2rlz s VAL 55 Cb 0.00 -1.38 -0.04 0.00 -1.53 0.00 0.00 36.38 33.44 2rlz s VAL 55 CO 0.00 0.00 0.05 -0.55 -3.33 0.00 0.00 175.10 171.27 2rlz s SER 56 N -2.68 3.44 -0.03 3.54 0.15 -1.26 -4.57 113.70 112.29 2rlz s SER 56 Ca 0.07 -1.56 -0.30 0.00 0.70 0.00 0.00 55.95 54.86 2rlz s SER 56 Cb -0.01 0.24 -0.03 0.00 -1.71 0.00 0.00 66.02 64.51 2rlz s SER 56 CO -0.05 -0.76 1.13 -0.89 1.20 0.00 0.00 173.24 173.87 2rlz s THR 57 N -3.00 4.41 0.00 6.45 2.01 -1.26 -2.75 115.64 121.49 2rlz s THR 57 Ca 0.21 1.72 0.00 0.00 0.31 0.00 0.00 61.69 63.93 2rlz s THR 57 Cb 0.05 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.45 2rlz s THR 57 CO 0.11 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.70 2rlz n GLY 58 N 3.20 1.32 3.63 4.40 0.00 -1.26 -5.04 105.19 111.44 2rlz n GLY 58 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.63 2.27 0.18 2.61 2.01 -1.11 -5.06 115.64 113.91 2rlz s THR 59 Ca 0.00 0.09 0.07 0.00 0.31 0.00 0.00 61.69 62.16 2rlz s THR 59 Cb 0.00 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 2rlz s THR 59 CO 0.00 -0.11 -0.14 -1.83 -0.69 0.00 0.00 174.62 171.84 2rlz s GLU 60 N -4.68 1.24 -0.09 4.92 -1.05 -1.26 -4.99 118.70 112.79 2rlz s GLU 60 Ca 0.66 -1.50 -0.02 0.00 -0.15 0.00 0.00 54.97 53.96 2rlz s GLU 60 Cb -0.22 -1.04 0.04 0.00 -0.44 0.00 0.00 34.13 32.47 2rlz s GLU 60 CO 0.60 0.18 0.04 0.54 0.95 0.00 0.00 175.26 177.56 2rlz s VAL 61 N -2.82 0.15 0.52 1.83 0.11 -1.26 -4.90 120.40 114.03 2rlz s VAL 61 Ca 0.19 0.11 -0.21 0.00 -2.93 0.00 0.00 61.98 59.14 2rlz s VAL 61 Cb -0.01 -0.46 -0.06 0.00 -1.53 0.00 0.00 36.38 34.31 2rlz s VAL 61 CO 0.05 0.10 1.17 -0.89 -3.33 0.00 0.00 175.10 172.20 2rlz s THR 62 N 2.05 3.01 0.03 5.04 2.01 0.31 -4.89 115.64 123.21 2rlz s THR 62 Ca 0.04 0.68 0.05 0.00 0.31 0.00 0.00 61.69 62.78 2rlz s THR 62 Cb -0.13 -3.31 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 2rlz s THR 62 CO -0.05 -0.08 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.42 2rlz s LEU 63 N -3.51 2.15 -0.14 4.42 2.96 -1.26 -2.36 118.68 120.94 2rlz s LEU 63 Ca 0.70 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 54.15 2rlz s LEU 63 Cb -0.28 -0.70 0.04 0.00 0.50 0.00 0.00 46.19 45.75 2rlz s LEU 63 CO 0.32 0.08 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.75 2rlz s ILE 64 N -0.77 0.94 -0.20 6.68 1.01 -0.44 -4.96 121.20 123.46 2rlz s ILE 64 Ca 0.03 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 2rlz s ILE 64 Cb -0.08 -1.10 0.10 0.00 0.01 0.00 0.00 42.46 41.39 2rlz s ILE 64 CO 0.01 0.19 0.33 0.00 0.00 0.00 0.00 174.94 175.47 2rlz s ALA 65 N 1.72 -0.80 -0.01 9.38 0.00 -1.26 -2.92 121.76 127.87 2rlz s ALA 65 Ca 0.02 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 52.88 2rlz s ALA 65 Cb -0.14 -1.36 -0.00 0.00 0.00 0.00 0.00 23.12 21.62 2rlz s ALA 65 CO -0.08 -0.98 0.02 -1.14 0.00 0.00 0.00 175.76 173.58 2rlz s GLN 66 N 2.48 0.10 0.00 0.00 0.74 -1.26 -4.94 119.66 116.79 2rlz s GLN 66 Ca 0.06 -0.09 0.00 0.00 0.05 0.00 0.00 55.36 55.38 2rlz s GLN 66 Cb -0.14 0.04 0.00 0.00 1.10 0.00 0.00 33.01 34.01 2rlz s GLN 66 CO -0.13 -0.02 0.00 0.41 -0.55 0.00 0.00 175.29 175.01 2rlz n GLY 67 N 2.74 0.54 0.93 2.59 0.00 -1.26 -4.70 105.19 106.03 2rlz n GLY 67 Ca -0.15 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 0.00 0.00 1.61 1.02 -1.26 -4.84 120.64 117.17 2rlz n GLU 68 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2rlz n GLU 68 Cb 0.00 -0.21 0.00 0.00 -0.02 0.00 0.00 31.44 31.21 2rlz n GLU 68 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2rlz n ASP 69 N -1.96 1.55 -0.60 1.62 5.75 -1.26 -4.13 116.55 117.51 2rlz n ASP 69 Ca 0.00 -1.39 0.00 0.00 -0.01 0.00 0.00 54.79 53.39 2rlz n ASP 69 Cb 0.00 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 2rlz n ASP 69 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 2rlz n GLU 70 N 0.46 0.63 0.03 0.11 -0.00 -1.26 -3.69 120.64 116.92 2rlz n GLU 70 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.16 57.07 2rlz n GLU 70 Cb 0.28 -1.29 -0.07 0.00 -0.00 0.00 0.00 31.44 30.36 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 0.44 -0.17 -0.25 3.44 4.15 -2.00 -3.12 115.11 117.60 2rlz h GLN 71 Ca 0.00 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.47 2rlz h GLN 71 Cb 0.38 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 2rlz h GLN 71 CO 0.00 0.23 0.17 0.93 -1.93 0.00 0.00 178.83 178.23 2rlz h GLU 72 N -0.94 0.18 0.44 1.69 4.39 -1.95 1.36 114.58 119.75 2rlz h GLU 72 Ca -0.02 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 2rlz h GLU 72 Cb 0.49 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2rlz h GLU 72 CO 0.03 0.12 -0.21 0.00 -1.16 0.00 0.00 179.01 177.78 2rlz h ALA 73 N 1.86 -0.60 0.16 3.43 0.00 -1.79 0.77 119.26 123.10 2rlz h ALA 73 Ca 0.11 -0.15 -0.26 0.00 0.00 0.00 0.00 54.91 54.61 2rlz h ALA 73 Cb 0.21 0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.24 2rlz h ALA 73 CO -0.02 -0.80 -1.25 -0.07 0.00 0.00 0.00 179.25 177.11 2rlz h LEU 74 N -0.66 0.53 0.20 0.00 4.07 -1.40 -2.18 115.31 115.86 2rlz h LEU 74 Ca -0.06 -0.91 -0.01 0.00 0.08 0.00 0.00 57.88 56.98 2rlz h LEU 74 Cb 0.49 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.06 2rlz h LEU 74 CO 0.10 1.58 -0.09 -0.08 -1.08 0.00 0.00 178.44 178.86 2rlz h GLU 75 N -0.20 -0.25 0.07 1.13 4.81 0.17 -3.29 114.58 117.01 2rlz h GLU 75 Ca -0.24 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.00 2rlz h GLU 75 Cb 1.83 0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.27 2rlz h GLU 75 CO 0.15 -0.17 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.00 2rlz h LYS 76 N -0.43 -0.09 -0.36 1.92 1.63 -1.18 -3.01 116.57 115.05 2rlz h LYS 76 Ca -0.03 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 59.86 2rlz h LYS 76 Cb 0.20 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 31.77 2rlz h LYS 76 CO 0.04 -0.06 -0.23 -0.07 -3.45 0.00 0.00 179.45 175.68 2rlz h LEU 77 N -0.50 -0.77 -0.43 5.20 3.38 0.42 0.80 115.31 123.41 2rlz h LEU 77 Ca -0.01 0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.16 2rlz h LEU 77 Cb 0.07 0.39 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2rlz h LEU 77 CO 0.02 -0.26 0.18 0.00 0.09 0.00 0.00 178.44 178.47 2rlz h ALA 78 N 0.99 0.53 -0.59 1.53 0.00 -1.46 0.75 119.26 121.01 2rlz h ALA 78 Ca 0.18 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 2rlz h ALA 78 Cb 0.46 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2rlz h ALA 78 CO -0.47 -0.20 0.18 0.00 0.00 0.00 0.00 179.25 178.76 2rlz h ALA 79 N 1.26 0.77 0.17 0.00 0.00 -1.13 -1.01 119.26 119.32 2rlz h ALA 79 Ca 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2rlz h ALA 79 Cb 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2rlz h ALA 79 CO -0.17 0.44 -0.08 -0.92 0.00 0.00 0.00 179.25 178.52 2rlz h TYR 80 N 0.83 -0.21 -0.77 0.00 3.20 0.12 -3.04 116.97 117.10 2rlz h TYR 80 Ca 0.19 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.19 2rlz h TYR 80 Cb 0.30 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.58 2rlz h TYR 80 CO 0.02 0.16 0.51 0.28 -1.64 0.00 0.00 178.16 177.48 2rlz h VAL 81 N -0.61 0.83 0.00 1.81 2.07 0.52 0.38 116.25 121.25 2rlz h VAL 81 Ca -0.02 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2rlz h VAL 81 Cb 0.45 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2rlz h VAL 81 CO 0.04 0.09 0.03 -0.61 0.02 0.00 0.00 177.57 177.14 2rlz h GLN 82 N 0.51 0.00 -6.08 1.57 4.15 -1.06 -3.46 115.11 110.74 2rlz h GLN 82 Ca 0.38 0.00 -0.36 0.00 0.77 0.00 0.00 58.65 59.44 2rlz h GLN 82 Cb 0.74 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.45 2rlz h GLN 82 CO -0.13 0.00 -1.09 -1.91 -1.93 0.00 0.00 178.83 173.76 2rlz n GLU 83 N -2.51 -1.72 -0.67 1.69 4.07 0.13 -4.92 120.64 116.71 2rlz n GLU 83 Ca -0.02 1.26 -0.17 0.00 -0.06 0.00 0.00 57.16 58.17 2rlz n GLU 83 Cb 0.07 -1.77 0.14 0.00 -0.06 0.00 0.00 31.44 29.82 2rlz n GLU 83 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2rlz n GLU 84 N -0.17 -2.08 0.00 5.31 1.02 -1.26 -5.14 120.64 118.32 2rlz n GLU 84 Ca -0.08 -1.04 0.00 0.00 -0.02 0.00 0.00 57.16 56.02 2rlz n GLU 84 Cb 0.61 -0.93 0.00 0.00 -0.02 0.00 0.00 31.44 31.10 2rlz n GLU 84 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64