#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 0.00 2.03 1.01 -1.26 -5.17 120.40 117.01 2rlz s VAL 2 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.42 2rlz s VAL 2 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 34.00 2rlz s VAL 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.10 2rlz n GLN 3 N -0.41 0.00 -3.73 2.72 10.64 -1.26 -5.16 117.38 120.18 2rlz n GLN 3 Ca -0.00 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.01 2rlz n GLN 3 Cb 0.63 0.00 -0.15 0.00 -0.86 0.00 0.00 30.24 29.85 2rlz n GLN 3 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 2rlz s GLN 4 N -0.28 0.03 0.34 2.61 2.00 -1.26 -5.15 119.66 117.95 2rlz s GLN 4 Ca 0.00 0.36 -0.14 0.00 -2.00 0.00 0.00 55.36 53.59 2rlz s GLN 4 Cb 0.00 -0.25 -0.08 0.00 0.80 0.00 0.00 33.01 33.48 2rlz s GLN 4 CO 0.00 -0.21 0.74 0.21 -0.50 0.00 0.00 175.29 175.53 2rlz s LYS 5 N 1.46 3.95 0.19 1.67 2.20 -1.26 -5.09 119.74 122.87 2rlz s LYS 5 Ca -0.05 0.61 -0.11 0.00 -0.36 0.00 0.00 55.97 56.05 2rlz s LYS 5 Cb -0.12 -2.43 -0.00 0.00 -1.51 0.00 0.00 37.83 33.77 2rlz s LYS 5 CO -0.05 0.12 0.37 0.14 -0.36 0.00 0.00 175.35 175.58 2rlz s VAL 6 N -2.06 0.04 0.14 4.02 -7.23 -1.26 -5.17 120.40 108.88 2rlz s VAL 6 Ca 0.53 -1.28 -0.03 0.00 -1.81 0.00 0.00 61.98 59.39 2rlz s VAL 6 Cb -0.10 -1.88 -0.05 0.00 0.56 0.00 0.00 36.38 34.90 2rlz s VAL 6 CO 0.20 -0.18 0.34 -0.70 -0.31 0.00 0.00 175.10 174.45 2rlz s GLU 7 N -3.96 3.56 0.33 4.82 2.12 -1.26 -5.08 118.70 119.22 2rlz s GLU 7 Ca 0.17 -0.21 -0.24 0.00 0.36 0.00 0.00 54.97 55.06 2rlz s GLU 7 Cb 0.02 -2.89 -0.10 0.00 0.26 0.00 0.00 34.13 31.42 2rlz s GLU 7 CO 0.02 0.48 0.91 0.08 -0.54 0.00 0.00 175.26 176.21 2rlz s VAL 8 N -1.67 4.31 0.00 3.70 1.01 -1.26 -4.94 120.40 121.55 2rlz s VAL 8 Ca 0.39 1.67 0.00 0.00 0.00 0.00 0.00 61.98 64.04 2rlz s VAL 8 Cb -0.12 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2rlz s VAL 8 CO 0.26 0.06 0.00 -1.14 0.00 0.00 0.00 175.10 174.28 2rlz n ARG 9 N 0.35 0.00 0.00 2.72 0.63 -1.26 -5.12 116.66 113.99 2rlz n ARG 9 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 2rlz n ARG 9 Cb 0.51 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.42 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 -1.02 0.00 -4.00 6.15 4.77 -1.26 -4.60 117.00 117.03 2rlz n LEU 10 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2rlz n LEU 10 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 2rlz n LEU 10 CO 0.00 0.00 -0.39 -0.54 -1.33 0.00 0.00 177.39 175.13 2rlz s LYS 11 N 0.00 0.43 0.31 3.23 1.02 -1.26 -5.17 119.74 118.30 2rlz s LYS 11 Ca 0.00 -0.50 0.07 0.00 0.02 0.00 0.00 55.97 55.57 2rlz s LYS 11 Cb 0.00 -0.26 -0.06 0.00 -0.52 0.00 0.00 37.83 36.99 2rlz s LYS 11 CO 0.00 0.05 -0.06 0.95 -0.92 0.00 0.00 175.35 175.37 2rlz s THR 12 N -0.88 1.83 0.00 2.17 -4.23 -1.26 -5.14 115.64 108.12 2rlz s THR 12 Ca -0.06 -2.14 0.00 0.00 -1.18 0.00 0.00 61.69 58.31 2rlz s THR 12 Cb -0.07 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.22 2rlz s THR 12 CO 0.00 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 2rlz n GLY 13 N -0.67 2.19 3.24 3.99 0.00 -1.26 -4.85 105.19 107.82 2rlz n GLY 13 Ca -0.05 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.26 0.00 0.99 4.77 -1.26 -4.98 117.00 113.26 2rlz n LEU 14 Ca 0.00 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 2rlz n LEU 14 Cb 0.00 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.18 2rlz n LEU 14 CO 0.00 -4.72 0.00 0.00 -1.33 0.00 0.00 177.39 171.34 2rlz n GLN 15 N 1.29 1.16 0.08 3.23 6.02 -1.26 -5.01 117.38 122.89 2rlz n GLN 15 Ca 0.06 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.15 2rlz n GLN 15 Cb 0.50 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.73 2rlz n GLN 15 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2rlz n ALA 16 N -3.00 2.44 -0.04 -1.58 0.00 -1.26 -3.98 120.51 113.09 2rlz n ALA 16 Ca 0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 53.44 52.99 2rlz n ALA 16 Cb 0.00 -1.05 -0.12 0.00 0.00 0.00 0.00 19.45 18.28 2rlz n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rlz h ARG 17 N 0.00 0.04 -0.10 0.00 -0.00 -2.00 -3.16 114.38 109.16 2rlz h ARG 17 Ca -0.03 -0.04 0.03 0.00 -0.50 0.00 0.00 59.98 59.44 2rlz h ARG 17 Cb 1.11 0.01 -0.03 0.00 0.00 0.00 0.00 29.97 31.05 2rlz h ARG 17 CO 0.01 0.83 -0.09 -1.35 0.00 0.00 0.00 179.97 179.36 2rlz h PRO 18 N -0.74 -0.11 -0.53 0.04 0.11 -1.97 -1.67 132.00 127.12 2rlz h PRO 18 Ca -0.01 0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.21 2rlz h PRO 18 Cb 0.85 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 31.91 2rlz h PRO 18 CO 0.01 -0.07 0.07 0.00 -0.21 0.00 0.00 178.00 177.80 2rlz h ALA 19 N 0.96 0.57 -0.89 -0.75 0.00 -1.70 0.50 119.26 117.96 2rlz h ALA 19 Ca 0.07 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2rlz h ALA 19 Cb 0.22 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2rlz h ALA 19 CO -0.17 -0.34 0.58 0.00 0.00 0.00 0.00 179.25 179.32 2rlz h ALA 20 N 1.44 1.15 0.00 0.00 0.00 -1.42 -1.37 119.26 119.06 2rlz h ALA 20 Ca 0.27 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 2rlz h ALA 20 Cb 0.40 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2rlz h ALA 20 CO -0.39 0.47 -0.41 -0.07 0.00 0.00 0.00 179.25 178.85 2rlz h LEU 21 N 1.16 0.00 -0.52 0.00 3.38 -0.14 -2.92 115.31 116.26 2rlz h LEU 21 Ca 0.34 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.37 2rlz h LEU 21 Cb -0.07 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 2rlz h LEU 21 CO -0.09 0.41 0.23 0.15 0.09 0.00 0.00 178.44 179.23 2rlz h PHE 22 N 0.00 0.42 -0.01 1.13 3.04 0.11 -1.88 116.94 119.75 2rlz h PHE 22 Ca -0.00 0.02 -0.18 0.00 3.98 0.00 0.00 57.97 61.79 2rlz h PHE 22 Cb 0.92 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.30 2rlz h PHE 22 CO 0.00 0.18 -0.80 0.28 -2.02 0.00 0.00 178.31 175.94 2rlz h VAL 23 N 0.45 1.50 -0.64 1.41 2.07 -1.49 -3.18 116.25 116.37 2rlz h VAL 23 Ca 0.24 -2.52 0.12 0.00 0.82 0.00 0.00 66.70 65.36 2rlz h VAL 23 Cb 0.21 2.38 -0.09 0.00 -1.52 0.00 0.00 31.29 32.27 2rlz h VAL 23 CO -0.20 0.73 0.18 1.56 0.02 0.00 0.00 177.57 179.86 2rlz h GLN 24 N 0.09 0.30 -0.51 1.57 1.08 -1.16 2.12 115.11 118.60 2rlz h GLN 24 Ca -0.03 -0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 57.09 2rlz h GLN 24 Cb 1.40 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.74 2rlz h GLN 24 CO 0.12 0.20 0.05 0.93 -0.95 0.00 0.00 178.83 179.18 2rlz h GLU 25 N 0.31 0.81 0.00 1.46 5.08 -1.47 -1.81 114.58 118.96 2rlz h GLU 25 Ca 0.34 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2rlz h GLU 25 Cb 0.50 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2rlz h GLU 25 CO -0.40 0.79 0.00 0.00 -1.00 0.00 0.00 179.01 178.40 2rlz h ALA 26 N 1.28 1.00 -0.33 3.43 0.00 -0.67 -3.19 119.26 120.79 2rlz h ALA 26 Ca 0.16 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.16 2rlz h ALA 26 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2rlz h ALA 26 CO 0.01 0.00 0.59 -0.97 0.00 0.00 0.00 179.25 178.88 2rlz h ASN 27 N 0.00 0.00 -0.41 0.00 -1.24 0.42 2.48 115.58 116.83 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 0.92 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.97 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 -3.24 3.74 -1.44 6.67 1.74 -1.20 -4.98 116.66 117.95 2rlz n ARG 28 Ca 0.06 -2.22 -0.54 0.00 -0.77 0.00 0.00 57.85 54.38 2rlz n ARG 28 Cb 0.73 -2.04 -0.06 0.00 -1.02 0.00 0.00 32.46 30.07 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 0.45 0.16 -1.44 -1.55 -1.74 0.83 -4.84 117.46 109.33 2rlz n PHE 29 Ca 0.20 1.01 0.00 0.00 -0.56 0.00 0.00 57.45 58.09 2rlz n PHE 29 Cb 0.92 -2.01 0.00 0.00 1.52 0.00 0.00 39.48 39.91 2rlz n PHE 29 CO 0.00 0.00 0.00 -2.37 -0.56 0.00 0.00 176.76 173.83 2rlz n THR 30 N 0.85 0.00 -1.84 1.97 5.66 -1.26 -4.87 114.28 114.80 2rlz n THR 30 Ca 0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.19 2rlz n THR 30 Cb 0.15 0.65 0.00 0.00 -1.55 0.00 0.00 70.33 69.58 2rlz n THR 30 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2rlz n SER 31 N 0.00 0.00 -1.73 1.09 2.88 -1.26 -4.69 113.62 109.91 2rlz n SER 31 Ca 0.00 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.54 2rlz n SER 31 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 2rlz n SER 31 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2rlz n ASP 32 N 0.00 -7.70 -4.42 -3.46 9.92 -1.26 -3.32 116.55 106.31 2rlz n ASP 32 Ca 0.00 1.11 -0.33 0.00 -0.53 0.00 0.00 54.79 55.03 2rlz n ASP 32 Cb 0.46 -4.23 -0.13 0.00 -0.64 0.00 0.00 41.12 36.58 2rlz n ASP 32 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2rlz s VAL 33 N -0.65 3.48 -0.14 2.53 1.01 -1.26 -3.97 120.40 121.40 2rlz s VAL 33 Ca 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.49 2rlz s VAL 33 Cb 0.00 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.89 2rlz s VAL 33 CO 0.00 0.50 -0.17 -0.36 0.00 0.00 0.00 175.10 175.07 2rlz s PHE 34 N 0.48 2.29 -0.09 5.22 0.08 -0.62 -4.11 117.98 121.23 2rlz s PHE 34 Ca -0.06 -1.21 -0.19 0.00 0.12 0.00 0.00 56.93 55.59 2rlz s PHE 34 Cb -0.15 -1.63 -0.04 0.00 -0.57 0.00 0.00 43.02 40.63 2rlz s PHE 34 CO 0.04 -0.62 0.51 -0.51 -0.10 0.00 0.00 175.22 174.54 2rlz s LEU 35 N 1.17 4.32 -0.01 -0.37 1.43 -1.26 -0.67 118.68 123.28 2rlz s LEU 35 Ca -0.01 0.92 0.01 0.00 -1.03 0.00 0.00 54.13 54.02 2rlz s LEU 35 Cb -0.14 -2.76 0.01 0.00 0.03 0.00 0.00 46.19 43.33 2rlz s LEU 35 CO -0.06 0.03 -0.03 -0.70 0.23 0.00 0.00 176.35 175.81 2rlz s GLU 36 N 0.40 0.35 -0.29 1.70 2.12 -0.27 -3.70 118.70 119.00 2rlz s GLU 36 Ca 0.28 -0.08 -0.20 0.00 0.36 0.00 0.00 54.97 55.33 2rlz s GLU 36 Cb -0.16 -0.39 0.15 0.00 0.26 0.00 0.00 34.13 33.99 2rlz s GLU 36 CO 0.12 0.01 1.09 -1.59 -0.54 0.00 0.00 175.26 174.35 2rlz s LYS 37 N 0.30 0.34 -1.18 4.30 -2.85 -0.88 -0.85 119.74 118.92 2rlz s LYS 37 Ca -0.03 0.49 -0.01 0.00 -1.00 0.00 0.00 55.97 55.43 2rlz s LYS 37 Cb -0.06 0.12 0.00 0.00 -2.06 0.00 0.00 37.83 35.83 2rlz s LYS 37 CO -0.01 -0.06 0.04 -3.47 0.10 0.00 0.00 175.35 171.96 2rlz n ASP 38 N 2.86 -4.24 0.00 0.03 2.03 -1.26 0.95 116.55 116.91 2rlz n ASP 38 Ca -0.15 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2rlz n ASP 38 Cb 0.57 -3.58 0.00 0.00 -0.72 0.00 0.00 41.12 37.39 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 -0.88 2.91 3.78 0.27 0.00 -1.26 -4.99 105.19 105.02 2rlz n GLY 39 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.04 3.69 0.13 1.61 1.02 0.27 -5.05 119.74 121.35 2rlz s LYS 40 Ca 0.00 1.62 -0.07 0.00 0.02 0.00 0.00 55.97 57.54 2rlz s LYS 40 Cb 0.00 -2.24 -0.01 0.00 -0.52 0.00 0.00 37.83 35.06 2rlz s LYS 40 CO 0.00 -0.58 0.20 0.21 -0.92 0.00 0.00 175.35 174.26 2rlz s LYS 41 N -2.95 0.98 0.30 1.68 2.20 -1.26 -2.07 119.74 118.61 2rlz s LYS 41 Ca 0.66 -1.15 -0.02 0.00 -0.36 0.00 0.00 55.97 55.11 2rlz s LYS 41 Cb -0.24 0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 36.40 2rlz s LYS 41 CO 0.29 -0.32 0.36 0.14 -0.36 0.00 0.00 175.35 175.45 2rlz s VAL 42 N -3.94 0.00 0.06 4.02 -7.23 -1.24 -5.07 120.40 107.00 2rlz s VAL 42 Ca 0.13 -1.74 -0.15 0.00 -1.81 0.00 0.00 61.98 58.42 2rlz s VAL 42 Cb 0.05 -2.52 -0.05 0.00 0.56 0.00 0.00 36.38 34.42 2rlz s VAL 42 CO -0.04 0.00 1.25 -1.13 -0.31 0.00 0.00 175.10 174.87 2rlz h ASN 43 N 2.24 -0.85 0.00 4.85 -0.73 -1.95 -3.43 115.58 115.72 2rlz h ASN 43 Ca -0.29 0.11 0.00 0.00 1.87 0.00 0.00 56.30 57.99 2rlz h ASN 43 Cb 1.24 0.35 0.00 0.00 0.27 0.00 0.00 38.32 40.18 2rlz h ASN 43 CO 0.41 -0.18 0.00 0.00 -0.37 0.00 0.00 177.43 177.29 2rlz n ALA 44 N -2.89 0.00 0.00 1.57 0.00 -1.26 -4.87 120.51 113.06 2rlz n ALA 44 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2rlz n ALA 44 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 0.00 -4.87 0.00 2.85 -1.26 -4.37 118.16 110.51 2rlz n LYS 45 Ca 0.00 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.01 2rlz n LYS 45 Cb 0.00 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.23 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 0.00 2.14 0.20 -5.58 0.15 -1.26 -4.86 113.70 104.49 2rlz s SER 46 Ca 0.00 -0.33 -0.09 0.00 0.70 0.00 0.00 55.95 56.22 2rlz s SER 46 Cb 0.00 -0.24 0.14 0.00 -1.71 0.00 0.00 66.02 64.21 2rlz s SER 46 CO 0.00 0.22 1.78 0.40 1.20 0.00 0.00 173.24 176.84 2rlz h ILE 47 N 4.68 1.24 0.00 6.45 2.04 -1.97 -1.83 117.51 128.12 2rlz h ILE 47 Ca -0.37 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 64.73 2rlz h ILE 47 Cb 1.15 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 2rlz h ILE 47 CO 0.48 0.30 -0.16 -0.03 0.00 0.00 0.00 178.15 178.74 2rlz h MET 48 N 1.05 0.00 0.22 2.37 4.05 -1.97 -0.18 114.93 120.47 2rlz h MET 48 Ca 0.25 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.66 2rlz h MET 48 Cb 0.16 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.96 2rlz h MET 48 CO -0.03 0.16 -0.11 0.78 0.23 0.00 0.00 176.91 177.94 2rlz h GLY 49 N 0.90 -0.31 0.91 1.39 0.00 -1.75 0.24 103.07 104.44 2rlz h GLY 49 Ca -0.00 0.12 -0.10 0.00 0.00 0.00 0.00 47.33 47.34 2rlz h GLY 49 CO 0.02 -0.11 -0.26 1.41 0.00 0.00 0.00 176.54 177.60 2rlz h LEU 50 N -0.64 0.64 -0.12 3.11 3.38 -1.37 -3.16 115.31 117.16 2rlz h LEU 50 Ca -0.03 -0.48 0.02 0.00 0.09 0.00 0.00 57.88 57.47 2rlz h LEU 50 Cb 0.46 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2rlz h LEU 50 CO 0.05 0.99 0.00 -0.03 0.09 0.00 0.00 178.44 179.55 2rlz h MET 51 N 0.31 0.04 -1.02 1.13 4.05 -1.09 -1.23 114.93 117.12 2rlz h MET 51 Ca 0.04 -0.00 0.29 0.00 -0.28 0.00 0.00 59.70 59.75 2rlz h MET 51 Cb 0.82 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.57 2rlz h MET 51 CO 0.06 0.03 0.73 0.77 0.23 0.00 0.00 176.91 178.73 2rlz h SER 52 N 0.04 0.02 -4.82 1.39 0.02 -0.96 -3.41 113.55 105.84 2rlz h SER 52 Ca 0.05 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.79 2rlz h SER 52 Cb 0.06 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 2rlz h SER 52 CO -0.09 0.00 -0.06 0.18 -1.14 0.00 0.00 176.83 175.73 2rlz n LEU 53 N -4.24 0.00 -3.63 5.07 4.77 -0.46 -5.10 117.00 113.40 2rlz n LEU 53 Ca 0.22 -1.08 -0.11 0.00 -0.03 0.00 0.00 56.01 55.00 2rlz n LEU 53 Cb 1.07 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.98 2rlz n LEU 53 CO 0.39 -0.51 0.39 0.00 -1.33 0.00 0.00 177.39 176.34 2rlz s ALA 54 N -2.30 -1.82 0.45 -1.18 0.00 -1.26 -4.93 121.76 110.72 2rlz s ALA 54 Ca 0.20 2.19 0.06 0.00 0.00 0.00 0.00 51.96 54.41 2rlz s ALA 54 Cb -0.02 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.79 2rlz s ALA 54 CO 0.13 -0.36 0.21 0.14 0.00 0.00 0.00 175.76 175.88 2rlz s VAL 55 N 0.89 2.05 0.07 0.00 -7.23 -1.26 -5.08 120.40 109.84 2rlz s VAL 55 Ca -0.04 -1.68 -0.15 0.00 -1.81 0.00 0.00 61.98 58.30 2rlz s VAL 55 Cb -0.05 -2.73 0.02 0.00 0.56 0.00 0.00 36.38 34.18 2rlz s VAL 55 CO -0.08 0.00 0.34 -0.55 -0.31 0.00 0.00 175.10 174.50 2rlz s SER 56 N -3.98 -0.15 -0.25 4.85 0.15 -1.26 -4.47 113.70 108.59 2rlz s SER 56 Ca 0.36 -0.24 -0.40 0.00 0.70 0.00 0.00 55.95 56.36 2rlz s SER 56 Cb 0.02 0.40 -0.16 0.00 -1.71 0.00 0.00 66.02 64.57 2rlz s SER 56 CO 0.20 -0.70 1.67 0.35 1.20 0.00 0.00 173.24 175.96 2rlz n THR 57 N 0.29 0.23 0.00 6.45 -2.24 -1.26 -0.97 114.28 116.78 2rlz n THR 57 Ca -0.17 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2rlz n THR 57 Cb 0.61 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 2rlz n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rlz n GLY 58 N 3.91 2.83 3.22 3.38 0.00 -1.26 -5.09 105.19 112.18 2rlz n GLY 58 Ca 0.26 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 45.01 2rlz n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2rlz n THR 59 N 0.00 0.00 -4.14 2.61 -2.24 -0.14 -5.05 114.28 105.32 2rlz n THR 59 Ca 0.00 -0.18 -0.09 0.00 -2.27 0.00 0.00 64.05 61.51 2rlz n THR 59 Cb 0.00 -0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 67.38 2rlz n THR 59 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2rlz s GLU 60 N -4.07 0.84 -0.14 -0.78 -1.05 -1.26 -4.99 118.70 107.24 2rlz s GLU 60 Ca 0.56 -1.37 -0.03 0.00 -0.15 0.00 0.00 54.97 53.97 2rlz s GLU 60 Cb -0.13 0.14 0.05 0.00 -0.44 0.00 0.00 34.13 33.75 2rlz s GLU 60 CO 0.54 -0.18 0.05 0.54 0.95 0.00 0.00 175.26 177.16 2rlz s VAL 61 N -3.93 0.21 -0.58 1.83 0.11 -1.26 -4.78 120.40 112.00 2rlz s VAL 61 Ca 0.18 -0.18 -0.18 0.00 -2.93 0.00 0.00 61.98 58.87 2rlz s VAL 61 Cb 0.07 -0.67 0.12 0.00 -1.53 0.00 0.00 36.38 34.37 2rlz s VAL 61 CO -0.02 -0.10 0.62 -0.89 -3.33 0.00 0.00 175.10 171.38 2rlz s THR 62 N 2.01 5.00 0.01 5.04 2.01 -0.03 -4.95 115.64 124.74 2rlz s THR 62 Ca 0.02 -1.25 -0.25 0.00 0.31 0.00 0.00 61.69 60.52 2rlz s THR 62 Cb -0.15 -4.43 -0.05 0.00 0.01 0.00 0.00 72.50 67.88 2rlz s THR 62 CO -0.07 -1.02 0.78 -1.48 -0.69 0.00 0.00 174.62 172.14 2rlz s LEU 63 N 2.17 4.40 -0.22 4.42 0.05 -1.26 -1.12 118.68 127.12 2rlz s LEU 63 Ca 0.08 1.41 -0.00 0.00 0.05 0.00 0.00 54.13 55.66 2rlz s LEU 63 Cb -0.26 -3.24 0.02 0.00 -2.05 0.00 0.00 46.19 40.66 2rlz s LEU 63 CO 0.04 -0.06 -0.12 -0.63 -0.55 0.00 0.00 176.35 175.04 2rlz s ILE 64 N 0.33 2.55 -0.17 1.48 1.01 0.15 -4.96 121.20 121.60 2rlz s ILE 64 Ca 0.40 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 60.06 2rlz s ILE 64 Cb -0.20 -2.22 0.03 0.00 0.01 0.00 0.00 42.46 40.08 2rlz s ILE 64 CO 0.22 0.33 -0.13 0.00 0.00 0.00 0.00 174.94 175.36 2rlz s ALA 65 N 1.30 1.93 -0.22 9.38 0.00 -1.26 -1.59 121.76 131.31 2rlz s ALA 65 Ca 0.02 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 2rlz s ALA 65 Cb -0.15 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 21.84 2rlz s ALA 65 CO -0.08 -0.55 -0.12 1.14 0.00 0.00 0.00 175.76 176.15 2rlz s GLN 66 N 1.44 2.94 0.00 0.00 -2.07 -1.21 -4.96 119.66 115.80 2rlz s GLN 66 Ca 0.03 -0.89 0.00 0.00 -1.82 0.00 0.00 55.36 52.68 2rlz s GLN 66 Cb -0.14 -2.81 0.00 0.00 -1.09 0.00 0.00 33.01 28.97 2rlz s GLN 66 CO -0.10 -0.30 0.00 0.41 -1.32 0.00 0.00 175.29 173.98 2rlz n GLY 67 N 4.65 -0.67 0.06 2.60 0.00 -1.26 -4.63 105.19 105.93 2rlz n GLY 67 Ca -0.18 -0.50 -0.07 0.00 0.00 0.00 0.00 46.02 45.27 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 1.71 -0.08 1.61 4.71 -1.26 -4.76 120.64 122.56 2rlz n GLU 68 Ca 0.00 0.02 -0.10 0.00 -0.01 0.00 0.00 57.16 57.07 2rlz n GLU 68 Cb 0.00 -1.28 -0.04 0.00 -1.01 0.00 0.00 31.44 29.11 2rlz n GLU 68 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2rlz n ASP 69 N -2.54 1.83 -1.82 1.62 8.00 -1.26 -4.88 116.55 117.50 2rlz n ASP 69 Ca -0.20 0.57 -0.07 0.00 0.71 0.00 0.00 54.79 55.80 2rlz n ASP 69 Cb 0.83 -0.89 -0.01 0.00 -0.02 0.00 0.00 41.12 41.03 2rlz n ASP 69 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2rlz n GLU 70 N -4.56 -1.18 0.01 -1.24 0.00 -1.26 -4.68 120.64 107.73 2rlz n GLU 70 Ca -0.15 0.02 -0.08 0.00 0.00 0.00 0.00 57.16 56.95 2rlz n GLU 70 Cb 0.40 -1.29 -0.06 0.00 0.00 0.00 0.00 31.44 30.48 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 -0.14 -0.14 -0.51 3.44 4.15 -1.97 -3.25 115.11 116.67 2rlz h GLN 71 Ca -0.10 0.01 0.15 0.00 0.77 0.00 0.00 58.65 59.48 2rlz h GLN 71 Cb 0.34 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 2rlz h GLN 71 CO 0.15 0.25 0.55 0.93 -1.93 0.00 0.00 178.83 178.78 2rlz h GLU 72 N -0.96 0.00 0.30 1.69 4.39 -1.94 1.19 114.58 119.25 2rlz h GLU 72 Ca -0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2rlz h GLU 72 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2rlz h GLU 72 CO 0.03 0.00 -0.14 0.00 -1.16 0.00 0.00 179.01 177.73 2rlz h ALA 73 N 1.38 -0.40 0.19 3.43 0.00 -1.92 -0.05 119.26 121.89 2rlz h ALA 73 Ca 0.24 -0.18 -0.30 0.00 0.00 0.00 0.00 54.91 54.67 2rlz h ALA 73 Cb 1.34 0.15 0.02 0.00 0.00 0.00 0.00 17.79 19.31 2rlz h ALA 73 CO -0.00 -0.55 -1.41 -0.07 0.00 0.00 0.00 179.25 177.22 2rlz h LEU 74 N -0.75 0.64 0.12 0.00 3.38 -1.21 -2.98 115.31 114.51 2rlz h LEU 74 Ca -0.04 -0.92 -0.01 0.00 0.09 0.00 0.00 57.88 57.00 2rlz h LEU 74 Cb 0.50 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2rlz h LEU 74 CO 0.07 1.66 -0.06 -0.08 0.09 0.00 0.00 178.44 180.12 2rlz h GLU 75 N -0.04 -0.16 0.00 1.13 4.81 0.13 -3.24 114.58 117.21 2rlz h GLU 75 Ca -0.27 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2rlz h GLU 75 Cb 1.98 0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.40 2rlz h GLU 75 CO 0.19 0.25 0.00 1.17 -0.73 0.00 0.00 179.01 179.89 2rlz n LYS 76 N -4.96 0.00 -0.07 1.92 3.00 -0.11 -3.22 118.16 114.73 2rlz n LYS 76 Ca -0.09 0.41 -0.08 0.00 -0.00 0.00 0.00 58.31 58.56 2rlz n LYS 76 Cb 0.25 -0.91 -0.02 0.00 0.00 0.00 0.00 35.03 34.36 2rlz n LYS 76 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2rlz h LEU 77 N 0.00 -0.86 -0.97 3.14 4.07 -1.34 1.20 115.31 120.55 2rlz h LEU 77 Ca 0.00 0.15 0.07 0.00 0.08 0.00 0.00 57.88 58.18 2rlz h LEU 77 Cb 0.00 0.41 -0.07 0.00 1.08 0.00 0.00 40.66 42.08 2rlz h LEU 77 CO 0.00 -0.29 0.62 0.00 -1.08 0.00 0.00 178.44 177.69 2rlz h ALA 78 N 0.79 1.35 -0.05 1.53 0.00 -1.54 1.09 119.26 122.43 2rlz h ALA 78 Ca 0.15 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 2rlz h ALA 78 Cb 0.49 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2rlz h ALA 78 CO -0.43 0.40 -0.79 0.00 0.00 0.00 0.00 179.25 178.43 2rlz h ALA 79 N 1.45 0.54 0.04 0.00 0.00 -1.17 -2.15 119.26 117.97 2rlz h ALA 79 Ca 0.42 -0.64 -0.25 0.00 0.00 0.00 0.00 54.91 54.45 2rlz h ALA 79 Cb 0.18 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2rlz h ALA 79 CO -0.18 0.79 -1.05 -0.92 0.00 0.00 0.00 179.25 177.89 2rlz h TYR 80 N 0.25 0.66 0.00 0.00 3.20 0.23 0.16 116.97 121.47 2rlz h TYR 80 Ca -0.04 -0.39 0.00 0.00 3.14 0.00 0.00 58.73 61.44 2rlz h TYR 80 Cb 1.38 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.59 2rlz h TYR 80 CO 0.05 1.23 0.00 0.28 -1.64 0.00 0.00 178.16 178.08 2rlz n VAL 81 N -3.71 0.44 -1.75 1.81 0.31 0.37 -3.20 118.33 112.60 2rlz n VAL 81 Ca -0.08 -0.07 -0.15 0.00 -0.01 0.00 0.00 64.34 64.03 2rlz n VAL 81 Cb 0.90 -0.66 0.10 0.00 -0.91 0.00 0.00 33.84 33.26 2rlz n VAL 81 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2rlz n GLN 82 N -1.90 2.76 -3.13 5.55 7.27 -0.81 -5.01 117.38 122.12 2rlz n GLN 82 Ca 0.05 -3.71 -0.27 0.00 0.07 0.00 0.00 57.00 53.14 2rlz n GLN 82 Cb 0.35 -2.06 0.03 0.00 2.41 0.00 0.00 30.24 30.97 2rlz n GLN 82 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2rlz n GLU 83 N -0.90 -1.35 0.00 3.69 1.02 -1.18 -4.49 120.64 117.44 2rlz n GLU 83 Ca 0.39 1.11 0.00 0.00 -0.02 0.00 0.00 57.16 58.64 2rlz n GLU 83 Cb 0.90 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 2rlz n GLU 83 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2rlz n GLU 84 N 0.16 0.00 0.00 3.49 -0.58 0.54 -5.00 120.64 119.25 2rlz n GLU 84 Ca -0.06 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.80 2rlz n GLU 84 Cb 0.57 0.00 0.18 0.00 -0.57 0.00 0.00 31.44 31.61 2rlz n GLU 84 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93