#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 0.04 -0.30 2.03 1.01 -1.26 -5.17 120.40 116.76 2rlz s VAL 2 Ca 0.00 -0.32 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 2rlz s VAL 2 Cb 0.00 -1.02 0.18 0.00 0.00 0.00 0.00 36.38 35.54 2rlz s VAL 2 CO 0.00 -0.18 1.10 0.00 0.00 0.00 0.00 175.10 176.03 2rlz s GLN 3 N -2.89 0.22 -0.02 2.72 -2.07 -1.26 -5.17 119.66 111.18 2rlz s GLN 3 Ca -0.03 0.42 -0.03 0.00 -1.82 0.00 0.00 55.36 53.91 2rlz s GLN 3 Cb -0.00 0.13 0.01 0.00 -1.09 0.00 0.00 33.01 32.05 2rlz s GLN 3 CO -0.05 -0.05 0.07 -1.14 -1.32 0.00 0.00 175.29 172.80 2rlz s GLN 4 N 1.59 0.12 0.22 9.60 0.74 -1.26 -5.16 119.66 125.52 2rlz s GLN 4 Ca -0.06 0.04 -0.09 0.00 0.05 0.00 0.00 55.36 55.30 2rlz s GLN 4 Cb -0.03 0.06 -0.07 0.00 1.10 0.00 0.00 33.01 34.06 2rlz s GLN 4 CO -0.14 -0.02 0.53 0.21 -0.55 0.00 0.00 175.29 175.32 2rlz s LYS 5 N -0.12 3.77 0.17 1.67 2.20 -1.26 -5.10 119.74 121.07 2rlz s LYS 5 Ca -0.02 0.22 -0.12 0.00 -0.36 0.00 0.00 55.97 55.69 2rlz s LYS 5 Cb -0.01 -2.67 0.00 0.00 -1.51 0.00 0.00 37.83 33.64 2rlz s LYS 5 CO 0.00 0.33 0.35 0.14 -0.36 0.00 0.00 175.35 175.82 2rlz s VAL 6 N -1.81 0.06 -0.04 4.02 -7.23 -1.26 -5.16 120.40 108.98 2rlz s VAL 6 Ca 0.46 -1.16 -0.03 0.00 -1.81 0.00 0.00 61.98 59.45 2rlz s VAL 6 Cb -0.11 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.09 2rlz s VAL 6 CO 0.22 -0.27 0.11 -0.70 -0.31 0.00 0.00 175.10 174.15 2rlz s GLU 7 N -3.92 3.23 0.35 4.82 2.12 -1.26 -5.09 118.70 118.94 2rlz s GLU 7 Ca 0.13 -0.36 -0.25 0.00 0.36 0.00 0.00 54.97 54.85 2rlz s GLU 7 Cb 0.02 -2.98 -0.10 0.00 0.26 0.00 0.00 34.13 31.33 2rlz s GLU 7 CO -0.02 0.69 0.97 0.08 -0.54 0.00 0.00 175.26 176.44 2rlz s VAL 8 N -1.15 4.09 0.00 3.70 1.01 -1.26 -4.92 120.40 121.87 2rlz s VAL 8 Ca 0.21 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.87 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 0.11 0.09 0.00 0.54 0.00 0.00 0.00 175.10 175.84 2rlz n ARG 9 N 0.36 0.00 -0.82 2.72 1.74 -1.26 -5.12 116.66 114.28 2rlz n ARG 9 Ca 0.03 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.78 2rlz n ARG 9 Cb 0.50 -0.20 0.13 0.00 -1.02 0.00 0.00 32.46 31.87 2rlz n ARG 9 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2rlz n LEU 10 N 0.00 0.63 -4.69 0.55 4.77 -1.26 -4.95 117.00 112.05 2rlz n LEU 10 Ca 0.00 0.37 -0.30 0.00 -0.03 0.00 0.00 56.01 56.06 2rlz n LEU 10 Cb 0.13 -1.26 0.15 0.00 -2.33 0.00 0.00 43.42 40.10 2rlz n LEU 10 CO 0.00 -3.28 0.65 -0.54 -1.33 0.00 0.00 177.39 172.90 2rlz s LYS 11 N -3.75 1.06 0.14 3.23 1.02 -1.26 -5.07 119.74 115.10 2rlz s LYS 11 Ca 0.60 0.96 -0.02 0.00 0.02 0.00 0.00 55.97 57.52 2rlz s LYS 11 Cb -0.23 -1.78 -0.04 0.00 -0.52 0.00 0.00 37.83 35.27 2rlz s LYS 11 CO 0.65 -2.42 0.09 0.95 -0.92 0.00 0.00 175.35 173.70 2rlz s THR 12 N -2.84 0.10 -1.22 2.17 -4.23 -1.26 -5.17 115.64 103.19 2rlz s THR 12 Ca 0.64 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 2rlz s THR 12 Cb -0.19 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.62 2rlz s THR 12 CO 0.58 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.83 2rlz n GLY 13 N -0.11 -1.46 3.80 3.99 0.00 -1.26 -4.43 105.19 105.72 2rlz n GLY 13 Ca -0.06 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 2rlz n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rlz s LEU 14 N 0.00 3.63 0.00 0.99 1.43 -1.26 -5.00 118.68 118.48 2rlz s LEU 14 Ca 0.00 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 2rlz s LEU 14 Cb 0.00 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.67 2rlz s LEU 14 CO 0.00 -1.08 0.00 0.00 0.23 0.00 0.00 176.35 175.50 2rlz n GLN 15 N -1.63 0.33 -0.02 1.70 6.02 -1.26 -4.94 117.38 117.58 2rlz n GLN 15 Ca 0.09 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 57.01 2rlz n GLN 15 Cb 0.52 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.65 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 1.57 -0.02 -1.58 0.00 -1.26 -3.93 120.51 112.28 2rlz n ALA 16 Ca 0.00 -0.77 -0.13 0.00 0.00 0.00 0.00 53.44 52.54 2rlz n ALA 16 Cb 0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 19.45 18.54 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 0.08 -0.24 0.00 3.08 -2.00 -3.01 114.38 112.28 2rlz h ARG 17 Ca -0.28 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 59.77 2rlz h ARG 17 Cb 1.96 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.97 2rlz h ARG 17 CO 0.07 0.54 -0.01 -1.35 -1.07 0.00 0.00 179.97 178.15 2rlz h PRO 18 N -0.37 0.06 -0.72 0.04 0.11 -1.96 -1.63 132.00 127.53 2rlz h PRO 18 Ca 0.01 -0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.22 2rlz h PRO 18 Cb 0.52 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 31.54 2rlz h PRO 18 CO 0.01 0.04 0.33 0.00 -0.21 0.00 0.00 178.00 178.17 2rlz h ALA 19 N 1.21 1.00 -0.27 -0.75 0.00 -1.68 0.44 119.26 119.21 2rlz h ALA 19 Ca 0.11 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2rlz h ALA 19 Cb 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2rlz h ALA 19 CO -0.20 -0.12 0.13 0.00 0.00 0.00 0.00 179.25 179.07 2rlz h ALA 20 N 1.47 0.35 0.00 0.00 0.00 -1.28 -2.06 119.26 117.73 2rlz h ALA 20 Ca 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2rlz h ALA 20 Cb 0.46 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2rlz h ALA 20 CO -0.32 -0.09 -0.05 -0.07 0.00 0.00 0.00 179.25 178.71 2rlz h LEU 21 N 0.30 0.00 -0.34 0.00 3.38 -0.35 -2.46 115.31 115.84 2rlz h LEU 21 Ca 0.09 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.11 2rlz h LEU 21 Cb 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2rlz h LEU 21 CO -0.01 0.05 0.07 0.15 0.09 0.00 0.00 178.44 178.79 2rlz h PHE 22 N 0.00 0.11 -0.04 1.13 3.04 -0.20 -2.09 116.94 118.90 2rlz h PHE 22 Ca -0.00 0.02 -0.17 0.00 3.98 0.00 0.00 57.97 61.80 2rlz h PHE 22 Cb 0.12 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.62 2rlz h PHE 22 CO 0.00 0.02 -0.73 0.28 -2.02 0.00 0.00 178.31 175.86 2rlz h VAL 23 N 0.19 1.44 -0.70 1.41 2.07 -1.47 -2.90 116.25 116.28 2rlz h VAL 23 Ca 0.16 -2.27 0.13 0.00 0.82 0.00 0.00 66.70 65.54 2rlz h VAL 23 Cb 0.18 2.21 -0.09 0.00 -1.52 0.00 0.00 31.29 32.07 2rlz h VAL 23 CO -0.21 0.67 0.24 1.56 0.02 0.00 0.00 177.57 179.85 2rlz h GLN 24 N 0.15 0.37 -0.18 1.57 1.08 -1.04 3.06 115.11 120.12 2rlz h GLN 24 Ca -0.02 -0.02 -0.17 0.00 -1.45 0.00 0.00 58.65 56.98 2rlz h GLN 24 Cb 1.29 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.63 2rlz h GLN 24 CO 0.11 0.25 -0.60 0.93 -0.95 0.00 0.00 178.83 178.57 2rlz h GLU 25 N 0.38 0.60 -0.05 1.46 4.39 -1.44 -2.72 114.58 117.21 2rlz h GLU 25 Ca 0.38 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2rlz h GLU 25 Cb 0.57 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2rlz h GLU 25 CO -0.40 1.02 0.00 0.00 -1.16 0.00 0.00 179.01 178.47 2rlz n ALA 26 N -2.53 2.59 0.19 3.43 0.00 0.07 -3.53 120.51 120.73 2rlz n ALA 26 Ca -0.04 -0.37 0.06 0.00 0.00 0.00 0.00 53.44 53.10 2rlz n ALA 26 Cb 0.64 -1.24 0.36 0.00 0.00 0.00 0.00 19.45 19.21 2rlz n ALA 26 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2rlz h ASN 27 N 1.49 0.00 0.38 0.00 -0.73 0.58 -2.16 115.58 115.14 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 0.32 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.91 2rlz h ASN 27 CO 0.00 0.35 -0.35 0.54 -0.37 0.00 0.00 177.43 177.60 2rlz n ARG 28 N -3.54 0.43 -0.60 6.67 1.74 -1.23 -4.94 116.66 115.20 2rlz n ARG 28 Ca -0.00 -0.24 -0.24 0.00 -0.77 0.00 0.00 57.85 56.59 2rlz n ARG 28 Cb 0.49 -1.49 0.15 0.00 -1.02 0.00 0.00 32.46 30.58 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 -1.07 -2.00 -1.29 -1.55 -1.74 -0.81 -4.97 117.46 104.03 2rlz n PHE 29 Ca 0.09 0.07 0.00 0.00 -0.56 0.00 0.00 57.45 57.06 2rlz n PHE 29 Cb 0.34 -1.44 0.00 0.00 1.52 0.00 0.00 39.48 39.90 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 -4.37 0.00 -0.83 1.97 -1.04 -1.26 -4.94 114.28 103.81 2rlz n THR 30 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 2rlz n THR 30 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 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 0.00 0.22 -0.99 8.00 3.41 -1.26 -4.83 113.62 118.17 2rlz n SER 31 Ca 0.00 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.56 2rlz n SER 31 Cb 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 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 -0.03 -5.61 -4.42 4.04 8.00 -1.26 -4.01 116.55 113.27 2rlz n ASP 32 Ca 0.00 0.66 -0.34 0.00 0.71 0.00 0.00 54.79 55.83 2rlz n ASP 32 Cb 0.28 -2.18 -0.13 0.00 -0.02 0.00 0.00 41.12 39.07 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 -1.23 3.47 -0.16 2.53 1.01 -1.26 -4.26 120.40 120.49 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 0.49 -0.20 -0.36 0.00 0.00 0.00 175.10 175.04 2rlz s PHE 34 N 0.53 2.66 -0.26 5.22 0.08 -0.71 -4.08 117.98 121.41 2rlz s PHE 34 Ca -0.05 -1.50 -0.12 0.00 0.12 0.00 0.00 56.93 55.38 2rlz s PHE 34 Cb -0.15 -1.84 -0.05 0.00 -0.57 0.00 0.00 43.02 40.41 2rlz s PHE 34 CO 0.03 -0.73 0.24 -0.51 -0.10 0.00 0.00 175.22 174.15 2rlz s LEU 35 N 1.17 4.05 -0.05 -0.37 1.43 -1.26 -1.19 118.68 122.46 2rlz s LEU 35 Ca 0.01 0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.27 2rlz s LEU 35 Cb -0.14 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 2rlz s LEU 35 CO -0.09 -0.06 -0.18 -0.70 0.23 0.00 0.00 176.35 175.55 2rlz s GLU 36 N 1.66 2.49 -0.26 1.70 2.12 0.12 -2.82 118.70 123.71 2rlz s GLU 36 Ca 0.10 -0.78 -0.02 0.00 0.36 0.00 0.00 54.97 54.63 2rlz s GLU 36 Cb -0.15 -2.29 0.14 0.00 0.26 0.00 0.00 34.13 32.09 2rlz s GLU 36 CO 0.09 0.55 0.42 0.21 -0.54 0.00 0.00 175.26 175.99 2rlz s LYS 37 N -0.55 0.39 -0.63 4.30 2.47 0.26 -0.95 119.74 125.04 2rlz s LYS 37 Ca 0.08 0.61 0.00 0.00 -1.56 0.00 0.00 55.97 55.10 2rlz s LYS 37 Cb -0.11 -0.28 0.00 0.00 -1.46 0.00 0.00 37.83 35.98 2rlz s LYS 37 CO 0.01 -0.65 0.00 -3.47 0.16 0.00 0.00 175.35 171.40 2rlz n ASP 38 N 5.38 -3.21 0.00 1.43 -0.08 -1.26 -2.58 116.55 116.22 2rlz n ASP 38 Ca -0.03 0.08 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 2rlz n ASP 38 Cb 0.50 -1.86 0.00 0.00 2.34 0.00 0.00 41.12 42.10 2rlz n ASP 38 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2rlz n GLY 39 N -1.66 2.98 3.90 0.27 0.00 -1.26 -5.03 105.19 104.39 2rlz n GLY 39 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.59 3.63 0.16 1.61 1.02 -1.06 -5.07 119.74 119.44 2rlz s LYS 40 Ca 0.00 -0.06 -0.07 0.00 0.02 0.00 0.00 55.97 55.86 2rlz s LYS 40 Cb 0.00 -2.82 -0.02 0.00 -0.52 0.00 0.00 37.83 34.47 2rlz s LYS 40 CO 0.00 0.45 0.23 -1.59 -0.92 0.00 0.00 175.35 173.52 2rlz s LYS 41 N -2.72 1.13 0.45 1.68 -2.85 -1.26 0.91 119.74 117.09 2rlz s LYS 41 Ca 0.42 -1.26 0.07 0.00 -1.00 0.00 0.00 55.97 54.19 2rlz s LYS 41 Cb -0.12 0.35 -0.02 0.00 -2.06 0.00 0.00 37.83 35.98 2rlz s LYS 41 CO 0.25 -0.40 0.28 0.14 0.10 0.00 0.00 175.35 175.72 2rlz s VAL 42 N -4.00 2.19 0.19 1.79 -7.23 -1.13 -5.01 120.40 107.20 2rlz s VAL 42 Ca 0.20 -1.57 -0.15 0.00 -1.81 0.00 0.00 61.98 58.65 2rlz s VAL 42 Cb 0.04 -2.75 0.19 0.00 0.56 0.00 0.00 36.38 34.42 2rlz s VAL 42 CO 0.02 0.00 1.30 -3.20 -0.31 0.00 0.00 175.10 172.90 2rlz n ASN 43 N -1.45 -0.56 0.00 4.85 2.85 -1.26 -4.52 115.26 115.17 2rlz n ASN 43 Ca -0.01 1.46 0.00 0.00 -0.11 0.00 0.00 54.58 55.92 2rlz n ASN 43 Cb 0.64 -0.33 0.00 0.00 1.24 0.00 0.00 39.78 41.33 2rlz n ASN 43 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2rlz n ALA 44 N -3.55 0.00 -1.14 5.20 0.00 -1.26 -4.85 120.51 114.90 2rlz n ALA 44 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 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 0.00 -1.76 0.00 2.85 -1.26 -4.24 118.16 113.75 2rlz n LYS 45 Ca 0.00 -0.52 -0.41 0.00 -1.05 0.00 0.00 58.31 56.32 2rlz n LYS 45 Cb 0.00 -0.48 0.00 0.00 -0.65 0.00 0.00 35.03 33.90 2rlz n LYS 45 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2rlz n SER 46 N 0.00 3.60 0.04 -5.58 3.41 -1.26 -4.53 113.62 109.30 2rlz n SER 46 Ca 0.00 1.21 -0.13 0.00 -0.26 0.00 0.00 58.87 59.69 2rlz n SER 46 Cb 0.52 -1.60 -0.09 0.00 -0.26 0.00 0.00 64.21 62.78 2rlz n SER 46 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2rlz h ILE 47 N 2.81 1.13 0.00 -1.33 2.04 -1.99 -2.86 117.51 117.30 2rlz h ILE 47 Ca -0.50 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 2rlz h ILE 47 Cb 1.25 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.96 2rlz h ILE 47 CO 0.63 0.19 -0.04 0.24 0.00 0.00 0.00 178.15 179.17 2rlz h MET 48 N -0.46 0.00 -0.34 2.37 2.86 -1.98 -1.54 114.93 115.84 2rlz h MET 48 Ca -0.01 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 2rlz h MET 48 Cb 0.39 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 2rlz h MET 48 CO 0.02 0.04 -0.16 0.78 1.06 0.00 0.00 176.91 178.65 2rlz h GLY 49 N 0.26 0.66 1.68 8.32 0.00 -1.89 -0.82 103.07 111.28 2rlz h GLY 49 Ca -0.00 -0.50 -0.23 0.00 0.00 0.00 0.00 47.33 46.60 2rlz h GLY 49 CO 0.01 0.46 -1.04 1.41 0.00 0.00 0.00 176.54 177.37 2rlz h LEU 50 N 0.55 0.37 -0.81 3.11 3.38 -1.17 -3.22 115.31 117.53 2rlz h LEU 50 Ca 0.09 -0.34 -0.13 0.00 0.09 0.00 0.00 57.88 57.60 2rlz h LEU 50 Cb 0.58 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2rlz h LEU 50 CO 0.04 1.19 -0.54 -0.03 0.09 0.00 0.00 178.44 179.19 2rlz h MET 51 N 0.12 0.14 0.62 1.13 4.05 -1.25 -3.07 114.93 116.67 2rlz h MET 51 Ca -0.08 -0.09 -0.03 0.00 -0.28 0.00 0.00 59.70 59.22 2rlz h MET 51 Cb 1.72 0.01 0.01 0.00 -0.80 0.00 0.00 31.60 32.53 2rlz h MET 51 CO 0.17 0.65 -0.30 1.03 0.23 0.00 0.00 176.91 178.69 2rlz h SER 52 N 0.11 -0.70 -2.21 1.39 0.87 -1.17 -3.28 113.55 108.56 2rlz h SER 52 Ca -0.00 0.02 -0.80 0.00 -1.23 0.00 0.00 61.79 59.79 2rlz h SER 52 Cb 1.00 0.18 -0.25 0.00 -0.44 0.00 0.00 62.40 62.89 2rlz h SER 52 CO 0.08 -0.47 1.23 0.18 -0.53 0.00 0.00 176.83 177.31 2rlz n LEU 53 N -4.39 7.20 -4.47 2.23 4.77 -1.22 -5.03 117.00 116.09 2rlz n LEU 53 Ca -0.10 -5.23 -0.32 0.00 -0.03 0.00 0.00 56.01 50.32 2rlz n LEU 53 Cb 0.33 -1.24 0.15 0.00 -2.33 0.00 0.00 43.42 40.32 2rlz n LEU 53 CO 0.25 1.93 0.11 0.00 -1.33 0.00 0.00 177.39 178.34 2rlz n ALA 54 N 0.76 -2.29 -2.72 -1.18 0.00 -1.16 -4.94 120.51 108.98 2rlz n ALA 54 Ca 0.43 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2rlz n ALA 54 Cb 0.28 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2rlz n ALA 54 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2rlz n VAL 55 N -3.93 0.00 -3.90 0.00 0.24 -1.26 -5.02 118.33 104.47 2rlz n VAL 55 Ca 0.07 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.27 2rlz n VAL 55 Cb 0.54 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 2rlz n VAL 55 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2rlz s SER 56 N 0.45 0.30 0.08 -1.34 0.01 -1.26 -4.06 113.70 107.87 2rlz s SER 56 Ca 0.00 -1.25 -0.31 0.00 1.31 0.00 0.00 55.95 55.70 2rlz s SER 56 Cb 0.00 0.79 -0.07 0.00 0.21 0.00 0.00 66.02 66.95 2rlz s SER 56 CO 0.00 -1.56 1.41 -0.89 0.41 0.00 0.00 173.24 172.60 2rlz s THR 57 N -2.56 3.43 0.00 1.44 2.01 -1.26 -2.30 115.64 116.39 2rlz s THR 57 Ca 0.20 0.96 0.00 0.00 0.31 0.00 0.00 61.69 63.17 2rlz s THR 57 Cb -0.04 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.86 2rlz s THR 57 CO 0.14 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.73 2rlz n GLY 58 N 3.57 0.74 3.95 4.40 0.00 -1.26 -5.07 105.19 111.52 2rlz n GLY 58 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 2rlz n GLY 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rlz s THR 59 N -2.25 2.52 0.17 2.61 -4.23 -0.97 -5.12 115.64 108.36 2rlz s THR 59 Ca 0.00 -0.48 0.04 0.00 -1.18 0.00 0.00 61.69 60.06 2rlz s THR 59 Cb 0.00 -3.01 -0.05 0.00 1.34 0.00 0.00 72.50 70.78 2rlz s THR 59 CO 0.00 -0.01 -0.06 -1.61 -0.54 0.00 0.00 174.62 172.40 2rlz s GLU 60 N -4.97 1.11 -0.08 3.99 2.02 -1.26 -5.00 118.70 114.52 2rlz s GLU 60 Ca 0.58 -1.51 -0.03 0.00 0.02 0.00 0.00 54.97 54.04 2rlz s GLU 60 Cb -0.11 -0.54 0.04 0.00 0.10 0.00 0.00 34.13 33.62 2rlz s GLU 60 CO 0.41 0.00 0.13 0.54 0.02 0.00 0.00 175.26 176.36 2rlz s VAL 61 N -3.41 -0.20 -0.38 2.63 0.11 -1.26 -4.85 120.40 113.03 2rlz s VAL 61 Ca 0.20 0.34 -0.18 0.00 -2.93 0.00 0.00 61.98 59.41 2rlz s VAL 61 Cb 0.04 -0.28 0.00 0.00 -1.53 0.00 0.00 36.38 34.62 2rlz s VAL 61 CO 0.02 0.12 0.50 -0.89 -3.33 0.00 0.00 175.10 171.52 2rlz s THR 62 N 2.25 5.02 0.33 5.04 2.01 -0.12 -4.95 115.64 125.22 2rlz s THR 62 Ca 0.04 0.13 -0.05 0.00 0.31 0.00 0.00 61.69 62.12 2rlz s THR 62 Cb -0.12 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 2rlz s THR 62 CO -0.05 -0.30 0.60 -1.48 -0.69 0.00 0.00 174.62 172.70 2rlz s LEU 63 N 2.35 3.98 -0.09 4.42 0.05 -1.26 0.13 118.68 128.26 2rlz s LEU 63 Ca 0.17 0.74 -0.03 0.00 0.05 0.00 0.00 54.13 55.05 2rlz s LEU 63 Cb -0.16 -3.59 0.05 0.00 -2.05 0.00 0.00 46.19 40.44 2rlz s LEU 63 CO 0.14 -0.28 0.17 -0.63 -0.55 0.00 0.00 176.35 175.20 2rlz s ILE 64 N -2.23 -0.25 -0.13 1.48 1.01 -0.33 -4.94 121.20 115.81 2rlz s ILE 64 Ca 0.44 0.32 -0.01 0.00 0.00 0.00 0.00 60.65 61.40 2rlz s ILE 64 Cb -0.10 -0.30 0.04 0.00 0.01 0.00 0.00 42.46 42.10 2rlz s ILE 64 CO 0.33 0.14 -0.01 0.00 0.00 0.00 0.00 174.94 175.39 2rlz s ALA 65 N 2.15 1.04 -0.51 9.38 0.00 -1.26 -1.74 121.76 130.82 2rlz s ALA 65 Ca 0.01 -0.49 -0.07 0.00 0.00 0.00 0.00 51.96 51.41 2rlz s ALA 65 Cb -0.12 -0.97 0.13 0.00 0.00 0.00 0.00 23.12 22.17 2rlz s ALA 65 CO -0.06 -0.71 0.37 -0.65 0.00 0.00 0.00 175.76 174.71 2rlz s GLN 66 N 1.83 2.49 0.00 0.00 -0.21 -1.26 -4.85 119.66 117.66 2rlz s GLN 66 Ca 0.02 -1.95 0.00 0.00 0.02 0.00 0.00 55.36 53.46 2rlz s GLN 66 Cb -0.14 -3.88 0.00 0.00 1.00 0.00 0.00 33.01 29.99 2rlz s GLN 66 CO -0.07 -1.18 0.00 0.41 -2.12 0.00 0.00 175.29 172.33 2rlz n GLY 67 N 4.56 -0.65 0.14 3.09 0.00 -1.26 -4.76 105.19 106.32 2rlz n GLY 67 Ca -0.03 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.60 2rlz n GLY 67 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2rlz n GLU 68 N 0.00 0.20 0.00 1.61 2.13 -1.26 -4.51 120.64 118.81 2rlz n GLU 68 Ca 0.00 0.05 0.03 0.00 0.66 0.00 0.00 57.16 57.90 2rlz n GLU 68 Cb 0.00 -1.11 0.17 0.00 0.27 0.00 0.00 31.44 30.77 2rlz n GLU 68 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2rlz n ASP 69 N -2.83 0.00 0.00 4.31 9.92 -1.26 -2.70 116.55 123.99 2rlz n ASP 69 Ca -0.15 -0.15 0.00 0.00 -0.53 0.00 0.00 54.79 53.97 2rlz n ASP 69 Cb 0.65 -0.03 0.01 0.00 -0.64 0.00 0.00 41.12 41.11 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 -1.03 0.01 -0.09 -1.24 -0.00 -1.26 -2.48 120.64 114.56 2rlz n GLU 70 Ca 0.04 0.17 -0.08 0.00 -0.00 0.00 0.00 57.16 57.30 2rlz n GLU 70 Cb 0.02 -1.50 -0.00 0.00 -0.00 0.00 0.00 31.44 29.96 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 0.30 -0.50 3.44 4.15 -1.88 -2.38 115.11 118.24 2rlz h GLN 71 Ca 0.00 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 2rlz h GLN 71 Cb 0.00 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 2rlz h GLN 71 CO 0.00 0.20 0.25 0.93 -1.93 0.00 0.00 178.83 178.27 2rlz h GLU 72 N 0.31 0.72 -0.30 1.69 5.08 -1.81 1.41 114.58 121.68 2rlz h GLU 72 Ca 0.13 -0.10 0.07 0.00 -1.00 0.00 0.00 59.36 58.46 2rlz h GLU 72 Cb 0.06 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.10 2rlz h GLU 72 CO -0.10 0.60 -0.19 0.00 -1.00 0.00 0.00 179.01 178.32 2rlz h ALA 73 N 1.09 0.02 0.08 3.43 0.00 -1.65 0.81 119.26 123.04 2rlz h ALA 73 Ca 0.17 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 2rlz h ALA 73 Cb 0.11 0.43 0.01 0.00 0.00 0.00 0.00 17.79 18.34 2rlz h ALA 73 CO -0.02 -0.59 -0.68 -0.07 0.00 0.00 0.00 179.25 177.89 2rlz h LEU 74 N -0.16 0.26 0.22 0.00 4.07 -1.30 -3.18 115.31 115.22 2rlz h LEU 74 Ca 0.16 -0.91 -0.01 0.00 0.08 0.00 0.00 57.88 57.19 2rlz h LEU 74 Cb 0.40 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.06 2rlz h LEU 74 CO -0.40 1.31 -0.10 -0.08 -1.08 0.00 0.00 178.44 178.09 2rlz h GLU 75 N -0.63 -0.28 0.70 1.13 4.81 0.20 -2.98 114.58 117.54 2rlz h GLU 75 Ca -0.14 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 2rlz h GLU 75 Cb 1.42 0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.87 2rlz h GLU 75 CO 0.05 -0.19 -0.34 -0.22 -0.73 0.00 0.00 179.01 177.59 2rlz h LYS 76 N -0.46 -0.91 -0.55 1.92 1.63 0.44 -3.02 116.57 115.63 2rlz h LYS 76 Ca -0.03 0.06 0.16 0.00 -0.85 0.00 0.00 60.65 59.99 2rlz h LYS 76 Cb 0.22 0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 2rlz h LYS 76 CO 0.05 -0.60 0.56 1.25 -3.45 0.00 0.00 179.45 177.25 2rlz h LEU 77 N -1.08 0.00 0.01 5.20 5.85 -0.79 -0.50 115.31 124.00 2rlz h LEU 77 Ca -0.10 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2rlz h LEU 77 Cb 0.72 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.75 2rlz h LEU 77 CO 0.16 0.00 -0.00 0.00 -0.34 0.00 0.00 178.44 178.26 2rlz h ALA 78 N 1.40 -0.01 -0.19 1.25 0.00 -1.39 0.88 119.26 121.19 2rlz h ALA 78 Ca 0.26 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2rlz h ALA 78 Cb 1.37 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2rlz h ALA 78 CO -0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 179.25 178.75 2rlz h ALA 79 N 0.79 1.48 0.04 0.00 0.00 -1.08 0.48 119.26 120.97 2rlz h ALA 79 Ca -0.00 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 2rlz h ALA 79 Cb 0.20 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.90 2rlz h ALA 79 CO 0.00 0.37 -0.62 -0.92 0.00 0.00 0.00 179.25 178.07 2rlz h TYR 80 N 0.29 0.55 0.00 0.00 3.20 -1.16 -0.83 116.97 119.03 2rlz h TYR 80 Ca 0.06 -0.33 -0.09 0.00 3.14 0.00 0.00 58.73 61.51 2rlz h TYR 80 Cb 0.35 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2rlz h TYR 80 CO 0.01 1.18 -0.43 0.28 -1.64 0.00 0.00 178.16 177.55 2rlz h VAL 81 N -0.23 1.00 0.00 1.81 2.07 0.98 -2.86 116.25 119.02 2rlz h VAL 81 Ca -0.09 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.78 2rlz h VAL 81 Cb 1.38 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 2rlz h VAL 81 CO 0.12 0.42 -0.70 1.67 0.02 0.00 0.00 177.57 179.10 2rlz n GLN 82 N -3.59 0.26 -2.75 1.57 7.27 0.17 -5.03 117.38 115.27 2rlz n GLN 82 Ca -0.00 0.06 -0.03 0.00 0.07 0.00 0.00 57.00 57.09 2rlz n GLN 82 Cb 0.53 -1.64 -0.03 0.00 2.41 0.00 0.00 30.24 31.51 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 -2.01 -3.55 -1.30 3.69 -0.58 -0.32 -4.94 120.64 111.63 2rlz n GLU 83 Ca 0.03 2.78 -0.31 0.00 -0.42 0.00 0.00 57.16 59.24 2rlz n GLU 83 Cb 0.43 -4.07 0.09 0.00 -0.57 0.00 0.00 31.44 27.31 2rlz n GLU 83 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2rlz s GLU 84 N -0.72 2.33 0.00 3.49 -1.05 -1.16 -5.04 118.70 116.54 2rlz s GLU 84 Ca -0.17 1.16 0.00 0.00 -0.15 0.00 0.00 54.97 55.80 2rlz s GLU 84 Cb 0.01 -1.91 0.00 0.00 -0.44 0.00 0.00 34.13 31.80 2rlz s GLU 84 CO 0.60 -1.59 0.00 1.33 0.95 0.00 0.00 175.26 176.55