#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 -0.05 0.01 3.17 1.01 -1.26 -5.16 120.40 118.12 2rlz s VAL 2 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 2rlz s VAL 2 Cb 0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 2rlz s VAL 2 CO 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 175.10 175.14 2rlz s GLN 3 N 1.41 0.21 0.06 2.72 -2.07 -1.26 -5.17 119.66 115.57 2rlz s GLN 3 Ca -0.09 -0.37 -0.03 0.00 -1.82 0.00 0.00 55.36 53.04 2rlz s GLN 3 Cb -0.09 0.08 -0.03 0.00 -1.09 0.00 0.00 33.01 31.88 2rlz s GLN 3 CO -0.12 -0.04 0.04 1.14 -1.32 0.00 0.00 175.29 175.00 2rlz s GLN 4 N -0.93 0.66 0.80 9.60 -2.07 -1.26 -5.16 119.66 121.31 2rlz s GLN 4 Ca -0.10 -1.08 -0.11 0.00 -1.82 0.00 0.00 55.36 52.25 2rlz s GLN 4 Cb -0.06 0.24 0.07 0.00 -1.09 0.00 0.00 33.01 32.17 2rlz s GLN 4 CO -0.00 -0.15 1.09 0.21 -1.32 0.00 0.00 175.29 175.11 2rlz s LYS 5 N -3.67 2.02 0.36 9.60 2.20 -1.26 -5.07 119.74 123.92 2rlz s LYS 5 Ca 0.04 0.95 -0.05 0.00 -0.36 0.00 0.00 55.97 56.56 2rlz s LYS 5 Cb 0.06 -1.89 0.01 0.00 -1.51 0.00 0.00 37.83 34.50 2rlz s LYS 5 CO -0.09 -1.75 0.54 0.14 -0.36 0.00 0.00 175.35 173.83 2rlz s VAL 6 N -2.97 0.00 0.17 4.02 -7.23 -1.26 -5.18 120.40 107.95 2rlz s VAL 6 Ca 0.61 -1.49 0.10 0.00 -1.81 0.00 0.00 61.98 59.40 2rlz s VAL 6 Cb -0.17 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 2rlz s VAL 6 CO 0.56 0.00 -0.22 -1.61 -0.31 0.00 0.00 175.10 173.52 2rlz s GLU 7 N -2.85 1.38 -0.40 4.82 2.02 -1.26 -5.11 118.70 117.30 2rlz s GLU 7 Ca 0.28 -1.43 -0.17 0.00 0.02 0.00 0.00 54.97 53.66 2rlz s GLU 7 Cb -0.01 -1.60 0.01 0.00 0.10 0.00 0.00 34.13 32.63 2rlz s GLU 7 CO 0.19 0.34 0.45 0.08 0.02 0.00 0.00 175.26 176.35 2rlz s VAL 8 N -1.73 5.07 -1.20 2.63 1.01 -1.26 -4.88 120.40 120.03 2rlz s VAL 8 Ca 0.17 -0.12 0.10 0.00 0.00 0.00 0.00 61.98 62.13 2rlz s VAL 8 Cb -0.07 -4.00 0.06 0.00 0.00 0.00 0.00 36.38 32.36 2rlz s VAL 8 CO 0.08 -0.34 0.78 -1.14 0.00 0.00 0.00 175.10 174.47 2rlz n ARG 9 N 5.65 0.90 -0.48 2.72 0.63 -1.26 -5.03 116.66 119.79 2rlz n ARG 9 Ca -0.07 -0.98 -0.19 0.00 -0.92 0.00 0.00 57.85 55.69 2rlz n ARG 9 Cb 0.48 -1.17 0.17 0.00 0.45 0.00 0.00 32.46 32.39 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 0.36 -1.16 -4.80 6.15 4.77 -1.26 -4.93 117.00 116.13 2rlz n LEU 10 Ca 0.06 -0.46 -0.38 0.00 -0.03 0.00 0.00 56.01 55.19 2rlz n LEU 10 Cb 0.25 -0.79 -0.06 0.00 -2.33 0.00 0.00 43.42 40.48 2rlz n LEU 10 CO 0.08 -3.44 0.22 -0.54 -1.33 0.00 0.00 177.39 172.38 2rlz s LYS 11 N -3.68 4.17 -0.04 3.23 1.02 -1.26 -5.08 119.74 118.10 2rlz s LYS 11 Ca 0.39 0.62 0.01 0.00 0.02 0.00 0.00 55.97 57.02 2rlz s LYS 11 Cb -0.07 -3.28 0.02 0.00 -0.52 0.00 0.00 37.83 33.99 2rlz s LYS 11 CO 0.35 0.55 -0.04 0.95 -0.92 0.00 0.00 175.35 176.23 2rlz s THR 12 N -0.73 0.52 0.12 2.17 -4.23 -1.26 -5.13 115.64 107.09 2rlz s THR 12 Ca 0.28 -0.12 -0.17 0.00 -1.18 0.00 0.00 61.69 60.50 2rlz s THR 12 Cb -0.18 -0.54 0.06 0.00 1.34 0.00 0.00 72.50 73.18 2rlz s THR 12 CO 0.16 0.22 0.80 0.61 -0.54 0.00 0.00 174.62 175.87 2rlz n GLY 13 N 4.00 0.72 3.53 3.99 0.00 -1.26 -4.68 105.19 111.48 2rlz n GLY 13 Ca -0.25 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 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 1.65 0.00 0.99 4.77 -1.26 -4.99 117.00 118.16 2rlz n LEU 14 Ca -0.01 0.86 0.00 0.00 -0.03 0.00 0.00 56.01 56.83 2rlz n LEU 14 Cb 0.44 -1.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 2rlz n LEU 14 CO 0.15 -2.38 0.00 0.00 -1.33 0.00 0.00 177.39 173.84 2rlz n GLN 15 N -0.05 0.58 0.09 3.23 1.13 -1.26 -5.00 117.38 116.09 2rlz n GLN 15 Ca 0.11 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.29 2rlz n GLN 15 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.79 2rlz n GLN 15 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2rlz n ALA 16 N -3.00 2.63 -0.05 -1.58 0.00 -1.26 -4.00 120.51 113.25 2rlz n ALA 16 Ca 0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 53.44 53.04 2rlz n ALA 16 Cb 0.00 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.26 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 -0.00 -0.90 0.00 3.08 -2.00 -3.09 114.38 111.48 2rlz h ARG 17 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 2rlz h ARG 17 Cb 0.96 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.95 2rlz h ARG 17 CO 0.00 0.80 0.55 -1.35 -1.07 0.00 0.00 179.97 178.90 2rlz h PRO 18 N -0.80 0.95 -0.58 0.04 0.11 -1.97 -1.40 132.00 128.35 2rlz h PRO 18 Ca -0.00 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 2rlz h PRO 18 Cb 0.80 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.67 2rlz h PRO 18 CO 0.00 0.63 0.21 0.00 -0.21 0.00 0.00 178.00 178.63 2rlz h ALA 19 N 1.44 1.29 -0.45 -0.75 0.00 -1.69 0.68 119.26 119.77 2rlz h ALA 19 Ca 0.40 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 2rlz h ALA 19 Cb 0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2rlz h ALA 19 CO -0.20 0.52 -0.04 0.00 0.00 0.00 0.00 179.25 179.53 2rlz h ALA 20 N 1.40 0.61 0.00 0.00 0.00 -1.19 -2.75 119.26 117.32 2rlz h ALA 20 Ca 0.19 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2rlz h ALA 20 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2rlz h ALA 20 CO -0.01 0.44 -0.41 -0.07 0.00 0.00 0.00 179.25 179.19 2rlz h LEU 21 N 0.66 0.00 -0.17 0.00 3.38 -0.99 -2.65 115.31 115.53 2rlz h LEU 21 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2rlz h LEU 21 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2rlz h LEU 21 CO 0.03 0.41 0.09 0.15 0.09 0.00 0.00 178.44 179.21 2rlz h PHE 22 N 0.00 0.23 -0.08 1.13 3.04 -0.58 -2.67 116.94 118.01 2rlz h PHE 22 Ca -0.00 -0.01 -0.14 0.00 3.98 0.00 0.00 57.97 61.80 2rlz h PHE 22 Cb 0.93 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.35 2rlz h PHE 22 CO 0.00 0.23 -0.55 0.28 -2.02 0.00 0.00 178.31 176.25 2rlz h VAL 23 N 0.17 1.37 -0.45 1.41 2.07 -1.49 -3.04 116.25 116.29 2rlz h VAL 23 Ca 0.06 -1.86 0.09 0.00 0.82 0.00 0.00 66.70 65.81 2rlz h VAL 23 Cb 0.07 1.91 -0.08 0.00 -1.52 0.00 0.00 31.29 31.68 2rlz h VAL 23 CO -0.01 0.55 -0.05 1.56 0.02 0.00 0.00 177.57 179.64 2rlz h GLN 24 N 0.19 0.06 -0.58 1.57 1.08 -1.15 1.82 115.11 118.10 2rlz h GLN 24 Ca 0.00 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 2rlz h GLN 24 Cb 1.03 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.42 2rlz h GLN 24 CO 0.09 0.04 0.24 0.93 -0.95 0.00 0.00 178.83 179.17 2rlz h GLU 25 N 0.06 0.83 0.00 1.46 5.08 -1.43 -0.99 114.58 119.59 2rlz h GLU 25 Ca 0.22 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2rlz h GLU 25 Cb 0.33 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2rlz h GLU 25 CO -0.41 0.68 0.00 0.00 -1.00 0.00 0.00 179.01 178.28 2rlz h ALA 26 N 1.44 1.00 -0.39 3.43 0.00 -0.66 -3.18 119.26 120.90 2rlz h ALA 26 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.22 2rlz h ALA 26 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2rlz h ALA 26 CO -0.02 0.00 0.55 -0.97 0.00 0.00 0.00 179.25 178.81 2rlz h ASN 27 N 0.00 0.00 -0.60 0.00 -1.24 0.41 2.26 115.58 116.40 2rlz h ASN 27 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.92 2rlz h ASN 27 Cb 0.84 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.84 2rlz h ASN 27 CO 0.00 0.00 0.11 0.54 -1.29 0.00 0.00 177.43 176.79 2rlz n ARG 28 N -3.41 4.18 -1.35 6.67 1.74 -1.20 -5.00 116.66 118.29 2rlz n ARG 28 Ca 0.07 -2.89 -0.53 0.00 -0.77 0.00 0.00 57.85 53.73 2rlz n ARG 28 Cb 0.71 -2.19 -0.07 0.00 -1.02 0.00 0.00 32.46 29.88 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 0.29 0.94 -0.57 -1.55 -1.74 0.76 -4.82 117.46 110.77 2rlz n PHE 29 Ca 0.31 0.93 0.00 0.00 -0.56 0.00 0.00 57.45 58.13 2rlz n PHE 29 Cb 1.21 -1.81 0.00 0.00 1.52 0.00 0.00 39.48 40.40 2rlz n PHE 29 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 2rlz n THR 30 N 2.16 0.14 -1.56 1.97 -2.24 -1.26 -4.77 114.28 108.71 2rlz n THR 30 Ca 0.21 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2rlz n THR 30 Cb 0.02 1.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 2rlz n THR 30 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2rlz n SER 31 N -0.07 0.00 -0.36 3.42 2.88 -1.26 -4.56 113.62 113.66 2rlz n SER 31 Ca 0.00 -0.88 0.00 0.00 -1.33 0.00 0.00 58.87 56.66 2rlz n SER 31 Cb 0.22 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 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 -3.35 -4.37 -3.46 8.00 -1.26 -3.67 116.55 108.44 2rlz n ASP 32 Ca 0.00 0.27 -0.33 0.00 0.71 0.00 0.00 54.79 55.43 2rlz n ASP 32 Cb 0.22 -0.20 -0.14 0.00 -0.02 0.00 0.00 41.12 40.98 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 -1.36 3.13 -0.06 2.53 1.01 -1.26 -4.22 120.40 120.18 2rlz s VAL 33 Ca 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 2rlz s VAL 33 Cb 0.00 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 34.08 2rlz s VAL 33 CO 0.00 0.51 0.01 -0.36 0.00 0.00 0.00 175.10 175.26 2rlz s PHE 34 N 0.47 0.48 -0.14 5.22 0.08 -0.72 -4.06 117.98 119.32 2rlz s PHE 34 Ca -0.08 -0.05 -0.08 0.00 0.12 0.00 0.00 56.93 56.84 2rlz s PHE 34 Cb -0.16 -0.66 -0.04 0.00 -0.57 0.00 0.00 43.02 41.60 2rlz s PHE 34 CO 0.04 -0.26 0.13 -0.51 -0.10 0.00 0.00 175.22 174.53 2rlz s LEU 35 N 1.78 4.31 0.02 -0.37 1.43 -1.26 -0.37 118.68 124.22 2rlz s LEU 35 Ca 0.01 0.39 0.04 0.00 -1.03 0.00 0.00 54.13 53.54 2rlz s LEU 35 Cb -0.13 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 2rlz s LEU 35 CO -0.04 0.34 -0.12 -0.70 0.23 0.00 0.00 176.35 176.07 2rlz s GLU 36 N -0.61 0.84 -0.29 1.70 2.12 0.51 -3.39 118.70 119.58 2rlz s GLU 36 Ca 0.13 -0.60 -0.03 0.00 0.36 0.00 0.00 54.97 54.83 2rlz s GLU 36 Cb -0.12 -0.80 0.17 0.00 0.26 0.00 0.00 34.13 33.64 2rlz s GLU 36 CO 0.02 0.20 0.56 0.21 -0.54 0.00 0.00 175.26 175.72 2rlz s LYS 37 N -0.83 0.52 -1.70 4.30 2.20 -0.72 -1.25 119.74 122.26 2rlz s LYS 37 Ca 0.01 1.00 0.00 0.00 -0.36 0.00 0.00 55.97 56.62 2rlz s LYS 37 Cb -0.06 0.42 0.00 0.00 -1.51 0.00 0.00 37.83 36.68 2rlz s LYS 37 CO 0.01 -0.54 0.00 -0.25 -0.36 0.00 0.00 175.35 174.20 2rlz n ASP 38 N 5.42 -5.07 0.00 1.43 9.92 -1.26 0.06 116.55 127.05 2rlz n ASP 38 Ca -0.03 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 2rlz n ASP 38 Cb 0.50 -4.36 0.00 0.00 -0.64 0.00 0.00 41.12 36.63 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 -0.70 3.11 3.61 0.44 0.00 -1.26 -5.01 105.19 105.38 2rlz n GLY 39 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.74 3.65 0.15 1.61 1.02 0.11 -5.00 119.74 120.55 2rlz s LYS 40 Ca 0.00 1.30 0.06 0.00 0.02 0.00 0.00 55.97 57.35 2rlz s LYS 40 Cb 0.00 -4.04 -0.04 0.00 -0.52 0.00 0.00 37.83 33.23 2rlz s LYS 40 CO 0.00 -1.47 0.05 0.21 -0.92 0.00 0.00 175.35 173.23 2rlz s LYS 41 N 4.87 2.64 0.42 1.68 2.20 -1.26 -1.76 119.74 128.53 2rlz s LYS 41 Ca 0.67 -0.95 0.07 0.00 -0.36 0.00 0.00 55.97 55.40 2rlz s LYS 41 Cb -0.19 -2.52 -0.06 0.00 -1.51 0.00 0.00 37.83 33.55 2rlz s LYS 41 CO 0.30 0.49 0.09 0.14 -0.36 0.00 0.00 175.35 176.01 2rlz s VAL 42 N -1.64 2.08 0.00 4.02 -7.23 -1.22 -4.98 120.40 111.43 2rlz s VAL 42 Ca 0.28 -1.86 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 2rlz s VAL 42 Cb -0.10 -2.94 0.00 0.00 0.56 0.00 0.00 36.38 33.90 2rlz s VAL 42 CO 0.20 0.00 0.89 0.59 -0.31 0.00 0.00 175.10 176.48 2rlz n ASN 43 N -1.11 2.41 0.00 4.85 5.03 -1.26 -4.74 115.26 120.44 2rlz n ASN 43 Ca -0.04 -1.56 0.00 0.00 0.87 0.00 0.00 54.58 53.85 2rlz n ASN 43 Cb 0.66 -0.50 0.00 0.00 -1.02 0.00 0.00 39.78 38.92 2rlz n ASN 43 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2rlz n ALA 44 N 1.57 0.00 -3.45 5.41 0.00 -1.26 -3.48 120.51 119.30 2rlz n ALA 44 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 2rlz n ALA 44 Cb 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.64 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 3.01 -4.09 0.00 2.85 -1.26 -4.71 118.16 113.96 2rlz n LYS 45 Ca 0.00 -4.55 -0.21 0.00 -1.05 0.00 0.00 58.31 52.50 2rlz n LYS 45 Cb 0.00 -2.39 -0.17 0.00 -0.65 0.00 0.00 35.03 31.82 2rlz n LYS 45 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2rlz s SER 46 N -1.15 1.12 0.27 -5.58 1.04 -1.23 -4.94 113.70 103.23 2rlz s SER 46 Ca 0.32 -0.13 -0.01 0.00 0.48 0.00 0.00 55.95 56.61 2rlz s SER 46 Cb 0.01 -0.47 0.54 0.00 0.10 0.00 0.00 66.02 66.20 2rlz s SER 46 CO -0.05 -0.08 1.77 0.40 0.98 0.00 0.00 173.24 176.27 2rlz h ILE 47 N 6.17 0.76 -0.34 -1.02 2.04 -1.95 -0.68 117.51 122.48 2rlz h ILE 47 Ca -0.34 -0.23 -0.16 0.00 1.00 0.00 0.00 64.86 65.13 2rlz h ILE 47 Cb 1.15 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2rlz h ILE 47 CO 0.43 0.12 -0.42 0.24 0.00 0.00 0.00 178.15 178.53 2rlz h MET 48 N 0.67 0.88 0.18 2.37 2.86 -1.96 -2.17 114.93 117.76 2rlz h MET 48 Ca 0.47 -0.49 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2rlz h MET 48 Cb 0.63 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.28 2rlz h MET 48 CO -0.35 1.14 -0.42 0.78 1.06 0.00 0.00 176.91 179.12 2rlz h GLY 49 N 0.67 -0.89 0.97 8.32 0.00 -1.54 0.12 103.07 110.72 2rlz h GLY 49 Ca 0.04 0.51 0.01 0.00 0.00 0.00 0.00 47.33 47.89 2rlz h GLY 49 CO 0.10 -0.28 0.20 1.41 0.00 0.00 0.00 176.54 177.97 2rlz h LEU 50 N -0.70 0.34 -0.78 3.11 3.38 -1.39 -2.35 115.31 116.93 2rlz h LEU 50 Ca 0.01 -0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 2rlz h LEU 50 Cb 0.70 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.28 2rlz h LEU 50 CO -0.21 0.25 0.35 -0.03 0.09 0.00 0.00 178.44 178.89 2rlz h MET 51 N 0.42 0.50 -0.68 1.13 4.05 -0.97 0.16 114.93 119.53 2rlz h MET 51 Ca 0.12 -0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.56 2rlz h MET 51 Cb -0.03 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 30.62 2rlz h MET 51 CO -0.04 0.33 0.45 0.77 0.23 0.00 0.00 176.91 178.65 2rlz h SER 52 N 0.51 0.67 -3.32 1.39 0.02 -0.23 -3.41 113.55 109.17 2rlz h SER 52 Ca 0.42 -0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.85 2rlz h SER 52 Cb 0.62 -0.15 0.03 0.00 0.14 0.00 0.00 62.40 63.04 2rlz h SER 52 CO -0.38 0.45 0.67 -0.22 -1.14 0.00 0.00 176.83 176.20 2rlz s LEU 53 N -9.69 4.41 -0.25 5.07 2.96 0.55 -5.01 118.68 116.71 2rlz s LEU 53 Ca -0.10 2.40 0.02 0.00 -0.22 0.00 0.00 54.13 56.23 2rlz s LEU 53 Cb 0.19 -3.61 0.06 0.00 0.50 0.00 0.00 46.19 43.33 2rlz s LEU 53 CO 0.77 -0.55 -0.09 0.00 -1.32 0.00 0.00 176.35 175.15 2rlz s ALA 54 N 0.27 2.38 0.27 5.97 0.00 -1.26 -4.76 121.76 124.62 2rlz s ALA 54 Ca 0.58 -1.64 0.07 0.00 0.00 0.00 0.00 51.96 50.97 2rlz s ALA 54 Cb -0.37 -1.54 -0.06 0.00 0.00 0.00 0.00 23.12 21.16 2rlz s ALA 54 CO 0.37 -1.19 -0.07 0.14 0.00 0.00 0.00 175.76 175.01 2rlz s VAL 55 N 1.19 1.64 0.40 0.00 -7.23 -1.26 -5.06 120.40 110.08 2rlz s VAL 55 Ca -0.08 -2.14 0.07 0.00 -1.81 0.00 0.00 61.98 58.02 2rlz s VAL 55 Cb -0.20 -2.39 -0.08 0.00 0.56 0.00 0.00 36.38 34.27 2rlz s VAL 55 CO -0.05 -0.34 0.01 -0.94 -0.31 0.00 0.00 175.10 173.47 2rlz s SER 56 N -3.42 3.74 0.19 4.85 1.04 -1.26 -4.28 113.70 114.55 2rlz s SER 56 Ca 0.29 -1.37 -0.32 0.00 0.48 0.00 0.00 55.95 55.03 2rlz s SER 56 Cb 0.03 -0.37 -0.12 0.00 0.10 0.00 0.00 66.02 65.66 2rlz s SER 56 CO 0.11 -0.46 1.72 0.35 0.98 0.00 0.00 173.24 175.94 2rlz n THR 57 N -0.94 0.05 0.00 2.02 -2.24 -1.26 -1.56 114.28 110.35 2rlz n THR 57 Ca -0.05 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2rlz n THR 57 Cb 0.67 -1.94 0.00 0.00 -2.10 0.00 0.00 70.33 66.96 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 3.93 3.11 3.57 3.38 0.00 -1.26 -5.07 105.19 112.85 2rlz n GLY 58 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.77 2.03 0.20 2.61 2.01 -0.60 -5.07 115.64 114.04 2rlz s THR 59 Ca 0.00 0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.02 2rlz s THR 59 Cb 0.00 -2.26 -0.05 0.00 0.01 0.00 0.00 72.50 70.20 2rlz s THR 59 CO 0.00 -0.01 0.06 -1.83 -0.69 0.00 0.00 174.62 172.15 2rlz s GLU 60 N -4.69 1.20 -0.03 4.92 -1.05 -1.26 -5.00 118.70 112.79 2rlz s GLU 60 Ca 0.67 -1.62 -0.02 0.00 -0.15 0.00 0.00 54.97 53.86 2rlz s GLU 60 Cb -0.22 -0.11 0.01 0.00 -0.44 0.00 0.00 34.13 33.37 2rlz s GLU 60 CO 0.61 -0.25 0.07 0.54 0.95 0.00 0.00 175.26 177.18 2rlz s VAL 61 N -3.83 -0.01 -0.65 1.83 0.11 -1.26 -5.00 120.40 111.59 2rlz s VAL 61 Ca 0.31 0.04 -0.23 0.00 -2.93 0.00 0.00 61.98 59.18 2rlz s VAL 61 Cb 0.07 -0.11 0.07 0.00 -1.53 0.00 0.00 36.38 34.88 2rlz s VAL 61 CO 0.08 0.02 0.97 -0.89 -3.33 0.00 0.00 175.10 171.95 2rlz s THR 62 N 0.28 4.31 0.29 5.04 2.01 -0.38 -4.94 115.64 122.25 2rlz s THR 62 Ca -0.02 -0.28 -0.22 0.00 0.31 0.00 0.00 61.69 61.48 2rlz s THR 62 Cb -0.03 -4.68 -0.09 0.00 0.01 0.00 0.00 72.50 67.71 2rlz s THR 62 CO -0.01 -1.44 0.84 -0.22 -0.69 0.00 0.00 174.62 173.10 2rlz s LEU 63 N 4.10 4.27 -0.13 4.42 0.20 -1.26 -0.36 118.68 129.92 2rlz s LEU 63 Ca 0.23 1.60 -0.01 0.00 0.69 0.00 0.00 54.13 56.64 2rlz s LEU 63 Cb -0.16 -3.91 0.04 0.00 -0.43 0.00 0.00 46.19 41.72 2rlz s LEU 63 CO 0.11 -0.07 -0.03 -0.63 -0.29 0.00 0.00 176.35 175.44 2rlz s ILE 64 N -1.68 0.78 -0.11 6.68 1.01 0.50 -4.96 121.20 123.43 2rlz s ILE 64 Ca 0.49 -0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.78 2rlz s ILE 64 Cb -0.16 -0.97 0.04 0.00 0.01 0.00 0.00 42.46 41.38 2rlz s ILE 64 CO 0.21 0.16 0.06 0.00 0.00 0.00 0.00 174.94 175.38 2rlz s ALA 65 N 1.78 0.43 -0.03 9.38 0.00 -1.26 -1.75 121.76 130.30 2rlz s ALA 65 Ca 0.03 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.87 2rlz s ALA 65 Cb -0.14 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.15 2rlz s ALA 65 CO -0.07 -0.83 -0.03 -0.65 0.00 0.00 0.00 175.76 174.19 2rlz s GLN 66 N 2.11 0.55 0.00 0.00 -0.21 -1.24 -4.95 119.66 115.92 2rlz s GLN 66 Ca 0.03 -0.03 0.00 0.00 0.02 0.00 0.00 55.36 55.38 2rlz s GLN 66 Cb -0.14 -0.63 0.00 0.00 1.00 0.00 0.00 33.01 33.24 2rlz s GLN 66 CO -0.06 -0.08 0.00 0.41 -2.12 0.00 0.00 175.29 173.44 2rlz n GLY 67 N 3.95 2.77 3.00 3.09 0.00 -1.26 -4.61 105.19 112.14 2rlz n GLY 67 Ca -0.25 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.23 1.82 0.00 1.61 4.07 -1.26 -3.58 120.64 122.07 2rlz n GLU 68 Ca 0.00 -2.00 0.00 0.00 -0.06 0.00 0.00 57.16 55.10 2rlz n GLU 68 Cb 0.00 -2.99 0.00 0.00 -0.06 0.00 0.00 31.44 28.39 2rlz n GLU 68 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2rlz n ASP 69 N 7.08 0.00 -1.98 4.31 8.00 -1.26 -5.01 116.55 127.70 2rlz n ASP 69 Ca 0.50 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.93 2rlz n ASP 69 Cb 0.39 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.48 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 0.00 -1.57 -0.01 -1.24 0.28 -1.23 -4.69 120.64 112.18 2rlz n GLU 70 Ca 0.00 0.02 -0.11 0.00 -0.16 0.00 0.00 57.16 56.91 2rlz n GLU 70 Cb 0.00 -2.18 -0.09 0.00 1.43 0.00 0.00 31.44 30.60 2rlz n GLU 70 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 2rlz h GLN 71 N -0.15 -0.08 -0.29 3.44 4.15 -1.95 -3.05 115.11 117.19 2rlz h GLN 71 Ca -0.10 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.29 2rlz h GLN 71 Cb 0.54 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 2rlz h GLN 71 CO 0.15 0.51 0.01 0.93 -1.93 0.00 0.00 178.83 178.50 2rlz h GLU 72 N -0.83 0.43 0.31 1.69 3.07 -1.94 1.15 114.58 118.45 2rlz h GLU 72 Ca -0.01 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 58.77 2rlz h GLU 72 Cb 0.63 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 2rlz h GLU 72 CO 0.01 0.45 -0.25 0.00 -1.40 0.00 0.00 179.01 177.83 2rlz h ALA 73 N 1.60 -0.55 0.15 3.43 0.00 -1.93 0.81 119.26 122.77 2rlz h ALA 73 Ca 0.10 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 2rlz h ALA 73 Cb 0.26 0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.40 2rlz h ALA 73 CO 0.01 -0.83 -1.24 -0.07 0.00 0.00 0.00 179.25 177.11 2rlz h LEU 74 N -0.57 0.50 0.19 0.00 3.38 -1.40 -2.22 115.31 115.19 2rlz h LEU 74 Ca -0.02 -0.91 -0.01 0.00 0.09 0.00 0.00 57.88 57.03 2rlz h LEU 74 Cb 0.50 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2rlz h LEU 74 CO -0.01 1.57 -0.09 -0.08 0.09 0.00 0.00 178.44 179.91 2rlz h GLU 75 N -0.23 -0.24 0.08 1.13 4.81 0.13 -3.29 114.58 116.96 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 1.81 0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.24 2rlz h GLU 75 CO 0.13 -0.16 -0.04 -0.22 -0.73 0.00 0.00 179.01 177.99 2rlz h LYS 76 N -0.42 -0.10 -0.36 1.92 3.64 -0.99 -3.15 116.57 117.11 2rlz h LYS 76 Ca -0.03 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.44 2rlz h LYS 76 Cb 0.19 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.95 2rlz h LYS 76 CO 0.04 -0.07 -0.21 -0.07 -2.27 0.00 0.00 179.45 176.87 2rlz h LEU 77 N -0.59 -0.72 -1.81 5.20 3.38 0.45 0.37 115.31 121.59 2rlz h LEU 77 Ca -0.01 0.15 0.09 0.00 0.09 0.00 0.00 57.88 58.20 2rlz h LEU 77 Cb 0.08 0.37 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2rlz h LEU 77 CO 0.02 -0.24 0.31 0.00 0.09 0.00 0.00 178.44 178.61 2rlz h ALA 78 N 1.05 2.13 0.01 1.53 0.00 -1.46 0.94 119.26 123.44 2rlz h ALA 78 Ca 0.18 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.83 2rlz h ALA 78 Cb 0.44 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.21 2rlz h ALA 78 CO -0.46 -0.23 -0.96 0.00 0.00 0.00 0.00 179.25 177.60 2rlz h ALA 79 N 1.77 0.11 -0.04 0.00 0.00 -0.72 -3.00 119.26 117.38 2rlz h ALA 79 Ca 0.21 -0.67 -0.19 0.00 0.00 0.00 0.00 54.91 54.25 2rlz h ALA 79 Cb 0.53 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2rlz h ALA 79 CO -0.04 0.61 -0.79 -0.92 0.00 0.00 0.00 179.25 178.11 2rlz h TYR 80 N 0.28 0.47 0.00 0.00 3.20 0.73 -2.90 116.97 118.75 2rlz h TYR 80 Ca -0.12 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.52 2rlz h TYR 80 Cb 1.63 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.83 2rlz h TYR 80 CO 0.11 1.00 0.00 0.28 -1.64 0.00 0.00 178.16 177.91 2rlz h VAL 81 N 0.22 0.00 -2.21 1.81 2.07 0.80 -3.25 116.25 115.68 2rlz h VAL 81 Ca -0.04 -0.23 -0.60 0.00 0.82 0.00 0.00 66.70 66.65 2rlz h VAL 81 Cb 1.38 0.96 -0.42 0.00 -1.52 0.00 0.00 31.29 31.69 2rlz h VAL 81 CO 0.13 0.00 -0.57 0.00 0.02 0.00 0.00 177.57 177.15 2rlz n GLN 82 N -2.34 2.63 -1.23 1.57 6.02 -1.09 -5.03 117.38 117.90 2rlz n GLN 82 Ca 0.01 -4.69 -0.24 0.00 -0.01 0.00 0.00 57.00 52.07 2rlz n GLN 82 Cb 0.21 -2.26 -0.16 0.00 1.02 0.00 0.00 30.24 29.05 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 0.77 0.00 -2.68 -1.09 1.02 -1.23 -4.63 120.64 112.80 2rlz n GLU 83 Ca 0.30 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.40 2rlz n GLU 83 Cb 0.41 -0.99 0.04 0.00 -0.02 0.00 0.00 31.44 30.88 2rlz n GLU 83 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2rlz n GLU 84 N 5.52 0.17 0.00 3.49 4.07 -1.26 -5.15 120.64 127.47 2rlz n GLU 84 Ca 0.55 -0.91 0.00 0.00 -0.06 0.00 0.00 57.16 56.74 2rlz n GLU 84 Cb 0.08 -0.14 0.00 0.00 -0.06 0.00 0.00 31.44 31.31 2rlz n GLU 84 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40