#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 0.06 -0.30 2.03 1.01 -1.26 -5.16 120.40 116.78 2rlz s VAL 2 Ca 0.00 -1.16 -0.15 0.00 0.00 0.00 0.00 61.98 60.66 2rlz s VAL 2 Cb 0.00 -1.71 0.17 0.00 0.00 0.00 0.00 36.38 34.84 2rlz s VAL 2 CO 0.00 -0.27 1.02 0.00 0.00 0.00 0.00 175.10 175.85 2rlz s GLN 3 N -3.93 0.27 -0.03 2.72 -2.07 -1.26 -5.17 119.66 110.19 2rlz s GLN 3 Ca 0.13 0.67 -0.03 0.00 -1.82 0.00 0.00 55.36 54.31 2rlz s GLN 3 Cb 0.02 0.40 0.01 0.00 -1.09 0.00 0.00 33.01 32.35 2rlz s GLN 3 CO -0.02 -0.10 0.08 -0.65 -1.32 0.00 0.00 175.29 173.29 2rlz s GLN 4 N 2.43 0.09 0.42 9.60 -0.21 -1.26 -5.16 119.66 125.57 2rlz s GLN 4 Ca -0.02 0.13 -0.12 0.00 0.02 0.00 0.00 55.36 55.37 2rlz s GLN 4 Cb -0.06 0.02 -0.07 0.00 1.00 0.00 0.00 33.01 33.91 2rlz s GLN 4 CO -0.17 -0.03 0.82 0.21 -2.12 0.00 0.00 175.29 174.00 2rlz s LYS 5 N 0.15 3.85 0.34 2.91 2.20 -1.26 -5.08 119.74 122.85 2rlz s LYS 5 Ca -0.01 0.61 -0.05 0.00 -0.36 0.00 0.00 55.97 56.16 2rlz s LYS 5 Cb -0.02 -2.33 0.01 0.00 -1.51 0.00 0.00 37.83 33.98 2rlz s LYS 5 CO -0.00 -0.07 0.53 0.14 -0.36 0.00 0.00 175.35 175.58 2rlz s VAL 6 N -2.39 0.00 0.08 4.02 -7.23 -1.26 -5.17 120.40 108.45 2rlz s VAL 6 Ca 0.53 -1.49 0.08 0.00 -1.81 0.00 0.00 61.98 59.29 2rlz s VAL 6 Cb -0.10 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 2rlz s VAL 6 CO 0.30 0.00 -0.18 -1.61 -0.31 0.00 0.00 175.10 173.30 2rlz s GLU 7 N -3.00 1.93 -0.00 4.82 2.02 -1.26 -5.11 118.70 118.09 2rlz s GLU 7 Ca 0.28 -1.08 -0.27 0.00 0.02 0.00 0.00 54.97 53.92 2rlz s GLU 7 Cb -0.01 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 2rlz s GLU 7 CO 0.18 0.51 0.83 0.08 0.02 0.00 0.00 175.26 176.88 2rlz s VAL 8 N -1.03 4.86 0.00 2.63 1.01 -1.26 -4.92 120.40 121.69 2rlz s VAL 8 Ca 0.16 1.75 0.00 0.00 0.00 0.00 0.00 61.98 63.89 2rlz s VAL 8 Cb -0.11 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.10 2rlz s VAL 8 CO 0.08 0.25 0.00 0.54 0.00 0.00 0.00 175.10 175.97 2rlz n ARG 9 N 3.50 0.00 0.00 2.72 1.74 -1.26 -5.08 116.66 118.29 2rlz n ARG 9 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2rlz n ARG 9 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.95 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 -0.28 0.00 -3.99 0.55 4.77 -1.26 -4.62 117.00 112.16 2rlz n LEU 10 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2rlz n LEU 10 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 2rlz n LEU 10 CO 0.00 0.00 -0.14 -0.54 -1.33 0.00 0.00 177.39 175.38 2rlz s LYS 11 N 0.00 0.96 0.17 3.23 1.02 -1.26 -5.18 119.74 118.68 2rlz s LYS 11 Ca 0.00 -1.18 -0.03 0.00 0.02 0.00 0.00 55.97 54.78 2rlz s LYS 11 Cb 0.00 0.32 -0.03 0.00 -0.52 0.00 0.00 37.83 37.60 2rlz s LYS 11 CO 0.00 -0.31 0.16 0.95 -0.92 0.00 0.00 175.35 175.23 2rlz s THR 12 N -3.95 0.05 0.00 2.17 -4.23 -1.26 -5.16 115.64 103.26 2rlz s THR 12 Ca 0.14 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 2rlz s THR 12 Cb 0.05 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.69 2rlz s THR 12 CO -0.04 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 2rlz n GLY 13 N -0.20 4.83 2.46 3.99 0.00 -1.26 -4.52 105.19 110.48 2rlz n GLY 13 Ca -0.03 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.60 2rlz n GLY 13 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2rlz n LEU 14 N 0.00 -2.39 0.00 0.99 -0.00 -1.26 -4.95 117.00 109.39 2rlz n LEU 14 Ca 0.00 0.56 0.00 0.00 -0.00 0.00 0.00 56.01 56.57 2rlz n LEU 14 Cb 0.00 -0.65 0.00 0.00 -0.00 0.00 0.00 43.42 42.77 2rlz n LEU 14 CO 0.00 -3.32 0.00 0.00 -0.00 0.00 0.00 177.39 174.07 2rlz n GLN 15 N 1.05 0.76 0.09 1.47 6.02 -1.26 -4.88 117.38 120.63 2rlz n GLN 15 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 2rlz n GLN 15 Cb 0.32 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.55 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 -1.69 0.63 0.36 -1.58 0.00 -1.97 -2.96 119.26 112.05 2rlz h ALA 16 Ca 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 2rlz h ALA 16 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2rlz h ALA 16 CO 0.00 0.81 -0.17 0.00 0.00 0.00 0.00 179.25 179.89 2rlz h ARG 17 N 0.00 -0.46 -0.32 0.00 3.08 -1.98 0.96 114.38 115.66 2rlz h ARG 17 Ca -0.07 0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 2rlz h ARG 17 Cb 1.50 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.65 2rlz h ARG 17 CO 0.07 -0.16 -0.29 -1.00 -1.07 0.00 0.00 179.97 177.52 2rlz h PRO 18 N -0.78 0.77 -0.19 0.04 0.13 -1.96 -2.89 132.00 127.13 2rlz h PRO 18 Ca -0.05 -0.39 -0.09 0.00 -0.87 0.00 0.00 66.00 64.60 2rlz h PRO 18 Cb 0.52 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 2rlz h PRO 18 CO 0.08 1.02 -0.26 0.00 -0.23 0.00 0.00 178.00 178.61 2rlz h ALA 19 N 0.74 1.22 -0.58 -0.56 0.00 -1.59 -2.79 119.26 115.69 2rlz h ALA 19 Ca 0.06 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 2rlz h ALA 19 Cb 0.86 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2rlz h ALA 19 CO 0.07 0.51 -0.03 0.00 0.00 0.00 0.00 179.25 179.81 2rlz h ALA 20 N 1.42 0.84 -0.30 0.00 0.00 -0.73 -2.82 119.26 117.67 2rlz h ALA 20 Ca 0.05 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2rlz h ALA 20 Cb 0.62 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2rlz h ALA 20 CO 0.04 0.67 -0.11 -0.07 0.00 0.00 0.00 179.25 179.78 2rlz h LEU 21 N 0.95 0.49 -0.86 0.00 3.38 -1.29 -2.94 115.31 115.04 2rlz h LEU 21 Ca 0.16 -0.12 0.22 0.00 0.09 0.00 0.00 57.88 58.23 2rlz h LEU 21 Cb 0.58 -0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.07 2rlz h LEU 21 CO 0.03 0.64 0.18 0.15 0.09 0.00 0.00 178.44 179.54 2rlz h PHE 22 N 0.47 0.26 -0.07 1.13 3.04 -1.24 0.83 116.94 121.37 2rlz h PHE 22 Ca 0.09 0.05 -0.12 0.00 3.98 0.00 0.00 57.97 61.97 2rlz h PHE 22 Cb 0.48 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.00 2rlz h PHE 22 CO 0.02 -0.22 -0.49 0.28 -2.02 0.00 0.00 178.31 175.88 2rlz h VAL 23 N 0.19 1.35 0.00 1.41 2.07 -1.62 -2.74 116.25 116.90 2rlz h VAL 23 Ca 0.52 -1.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 2rlz h VAL 23 Cb 1.03 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2rlz h VAL 23 CO -0.66 0.50 -0.14 1.56 0.02 0.00 0.00 177.57 178.85 2rlz h GLN 24 N 0.14 0.00 -0.19 1.57 1.08 0.64 -1.25 115.11 117.10 2rlz h GLN 24 Ca 0.01 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.14 2rlz h GLN 24 Cb 0.92 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.34 2rlz h GLN 24 CO 0.07 0.14 -0.14 0.93 -0.95 0.00 0.00 178.83 178.88 2rlz h GLU 25 N 0.00 0.42 0.00 1.46 4.39 -0.91 -2.99 114.58 116.96 2rlz h GLU 25 Ca -0.00 -0.21 -0.09 0.00 0.34 0.00 0.00 59.36 59.40 2rlz h GLU 25 Cb 0.38 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2rlz h GLU 25 CO 0.02 0.76 -0.42 0.00 -1.16 0.00 0.00 179.01 178.21 2rlz h ALA 26 N 0.66 0.92 -0.20 3.43 0.00 -1.56 -2.78 119.26 119.73 2rlz h ALA 26 Ca 0.04 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.62 2rlz h ALA 26 Cb 0.66 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2rlz h ALA 26 CO 0.04 0.52 0.30 -0.97 0.00 0.00 0.00 179.25 179.14 2rlz h ASN 27 N 0.00 0.00 -0.01 0.00 -0.00 -1.08 0.97 115.58 115.47 2rlz h ASN 27 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2rlz h ASN 27 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.32 2rlz h ASN 27 CO 0.05 0.00 -0.04 0.54 -0.00 0.00 0.00 177.43 177.98 2rlz n ARG 28 N -3.51 1.88 -3.72 6.67 1.74 -1.05 -4.88 116.66 113.79 2rlz n ARG 28 Ca 0.02 -1.35 -0.12 0.00 -0.77 0.00 0.00 57.85 55.64 2rlz n ARG 28 Cb 0.42 -1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 30.27 2rlz n ARG 28 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2rlz s PHE 29 N -2.05 -0.45 0.27 -1.55 0.40 0.34 -5.03 117.98 109.89 2rlz s PHE 29 Ca 0.32 1.02 0.03 0.00 -0.60 0.00 0.00 56.93 57.71 2rlz s PHE 29 Cb 0.20 0.16 0.36 0.00 0.51 0.00 0.00 43.02 44.25 2rlz s PHE 29 CO 0.34 -0.26 1.66 0.00 0.70 0.00 0.00 175.22 177.66 2rlz h THR 30 N 5.37 1.31 -0.04 0.64 1.03 -1.90 -3.43 112.91 115.90 2rlz h THR 30 Ca -0.35 -1.54 -0.24 0.00 -0.01 0.00 0.00 66.41 64.27 2rlz h THR 30 Cb 1.18 1.63 -0.08 0.00 -1.07 0.00 0.00 68.15 69.81 2rlz h THR 30 CO 0.32 0.47 1.55 -1.54 -0.01 0.00 0.00 175.52 176.31 2rlz n SER 31 N -4.03 -1.15 -4.55 0.00 3.41 -1.26 -4.75 113.62 101.29 2rlz n SER 31 Ca -0.02 -0.88 -0.53 0.00 -0.26 0.00 0.00 58.87 57.18 2rlz n SER 31 Cb 0.49 -0.70 -0.06 0.00 -0.26 0.00 0.00 64.21 63.69 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 7.15 0.94 -4.56 4.04 8.00 -1.26 -4.80 116.55 126.06 2rlz n ASP 32 Ca 0.51 1.14 -0.34 0.00 0.71 0.00 0.00 54.79 56.81 2rlz n ASP 32 Cb 0.25 -1.11 -0.11 0.00 -0.02 0.00 0.00 41.12 40.13 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 0.06 4.39 0.11 2.53 1.01 -1.26 -3.70 120.40 123.53 2rlz s VAL 33 Ca 0.81 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.69 2rlz s VAL 33 Cb -1.00 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2rlz s VAL 33 CO 0.52 0.46 -0.08 -0.36 0.00 0.00 0.00 175.10 175.63 2rlz s PHE 34 N 0.53 2.79 -0.02 5.22 0.08 0.04 -4.19 117.98 122.42 2rlz s PHE 34 Ca 0.01 -0.13 0.00 0.00 0.12 0.00 0.00 56.93 56.92 2rlz s PHE 34 Cb -0.13 -1.45 0.03 0.00 -0.57 0.00 0.00 43.02 40.90 2rlz s PHE 34 CO 0.02 0.44 0.03 -0.51 -0.10 0.00 0.00 175.22 175.10 2rlz s LEU 35 N -2.27 1.08 0.03 -0.37 1.43 -1.25 -1.18 118.68 116.14 2rlz s LEU 35 Ca 0.22 0.04 0.05 0.00 -1.03 0.00 0.00 54.13 53.41 2rlz s LEU 35 Cb -0.11 -0.07 -0.02 0.00 0.03 0.00 0.00 46.19 46.02 2rlz s LEU 35 CO 0.15 -0.13 -0.15 -0.70 0.23 0.00 0.00 176.35 175.75 2rlz s GLU 36 N 1.07 1.02 -0.26 1.70 2.12 -0.65 -3.51 118.70 120.19 2rlz s GLU 36 Ca -0.09 -0.71 -0.09 0.00 0.36 0.00 0.00 54.97 54.44 2rlz s GLU 36 Cb -0.13 -1.03 0.11 0.00 0.26 0.00 0.00 34.13 33.35 2rlz s GLU 36 CO -0.03 0.26 0.57 -1.59 -0.54 0.00 0.00 175.26 173.93 2rlz s LYS 37 N -0.95 0.49 -1.44 4.30 -2.85 -1.18 0.89 119.74 119.00 2rlz s LYS 37 Ca 0.03 1.30 0.00 0.00 -1.00 0.00 0.00 55.97 56.30 2rlz s LYS 37 Cb -0.07 0.65 0.00 0.00 -2.06 0.00 0.00 37.83 36.35 2rlz s LYS 37 CO 0.01 -0.22 0.00 -3.47 0.10 0.00 0.00 175.35 171.77 2rlz n ASP 38 N 5.37 -4.63 0.00 0.03 -0.08 -1.26 -1.88 116.55 114.10 2rlz n ASP 38 Ca -0.11 0.32 0.00 0.00 -1.51 0.00 0.00 54.79 53.49 2rlz n ASP 38 Cb 0.50 -3.36 0.00 0.00 2.34 0.00 0.00 41.12 40.60 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 -1.28 3.10 3.57 0.27 0.00 -1.26 -4.98 105.19 104.60 2rlz n GLY 39 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.33 3.15 0.02 1.61 -0.14 -0.79 -4.99 119.74 118.29 2rlz s LYS 40 Ca 0.00 0.43 -0.10 0.00 -1.36 0.00 0.00 55.97 54.95 2rlz s LYS 40 Cb 0.00 -4.19 -0.05 0.00 -1.68 0.00 0.00 37.83 31.91 2rlz s LYS 40 CO 0.00 -2.12 0.34 0.21 -0.76 0.00 0.00 175.35 173.02 2rlz s LYS 41 N 5.85 3.71 0.53 1.68 2.20 -1.26 -3.08 119.74 129.37 2rlz s LYS 41 Ca 0.54 0.13 0.05 0.00 -0.36 0.00 0.00 55.97 56.33 2rlz s LYS 41 Cb -0.11 -3.09 0.05 0.00 -1.51 0.00 0.00 37.83 33.16 2rlz s LYS 41 CO 0.23 0.64 0.38 1.33 -0.36 0.00 0.00 175.35 177.57 2rlz n VAL 42 N 1.28 0.00 -0.03 4.02 0.24 -1.23 -5.04 118.33 117.56 2rlz n VAL 42 Ca -0.11 -2.11 -0.11 0.00 -2.04 0.00 0.00 64.34 59.96 2rlz n VAL 42 Cb 0.53 -0.03 -0.08 0.00 -1.47 0.00 0.00 33.84 32.79 2rlz n VAL 42 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 2rlz h ASN 43 N 0.65 -1.36 0.00 -1.34 -0.00 -1.92 -3.45 115.58 108.16 2rlz h ASN 43 Ca -0.34 0.17 0.00 0.00 -0.00 0.00 0.00 56.30 56.13 2rlz h ASN 43 Cb 1.23 0.54 0.00 0.00 -0.00 0.00 0.00 38.32 40.09 2rlz h ASN 43 CO 0.53 -0.36 0.00 0.00 -0.00 0.00 0.00 177.43 177.60 2rlz n ALA 44 N -2.93 0.00 -0.12 1.57 0.00 -1.26 -4.92 120.51 112.85 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 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.67 0.00 2.85 -1.26 -4.14 118.16 113.94 2rlz n LYS 45 Ca 0.00 0.00 -0.46 0.00 -1.05 0.00 0.00 58.31 56.80 2rlz n LYS 45 Cb 0.00 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.34 2rlz n LYS 45 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2rlz n SER 46 N 0.00 3.24 -0.19 -5.58 7.64 -1.26 -4.41 113.62 113.06 2rlz n SER 46 Ca 0.00 1.05 0.13 0.00 1.01 0.00 0.00 58.87 61.06 2rlz n SER 46 Cb 0.01 -1.42 0.46 0.00 -1.01 0.00 0.00 64.21 62.24 2rlz n SER 46 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2rlz h ILE 47 N 4.17 0.83 -0.78 0.44 2.04 -1.97 -0.49 117.51 121.76 2rlz h ILE 47 Ca -0.46 -0.18 0.08 0.00 1.00 0.00 0.00 64.86 65.30 2rlz h ILE 47 Cb 1.26 0.27 -0.07 0.00 -0.74 0.00 0.00 36.82 37.54 2rlz h ILE 47 CO 0.91 0.10 0.45 0.24 0.00 0.00 0.00 178.15 179.84 2rlz h MET 48 N 0.52 0.76 -0.53 2.37 2.86 -1.99 0.16 114.93 119.09 2rlz h MET 48 Ca 0.38 -0.05 0.10 0.00 -2.06 0.00 0.00 59.70 58.07 2rlz h MET 48 Cb 0.74 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.20 2rlz h MET 48 CO -0.14 0.50 0.36 0.78 1.06 0.00 0.00 176.91 179.48 2rlz h GLY 49 N 0.78 0.43 0.04 8.32 0.00 -1.45 -1.79 103.07 109.41 2rlz h GLY 49 Ca 0.36 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.50 2rlz h GLY 49 CO -0.21 0.08 -0.35 1.41 0.00 0.00 0.00 176.54 177.46 2rlz h LEU 50 N 0.31 0.03 -1.92 3.11 4.07 -1.04 -3.18 115.31 116.70 2rlz h LEU 50 Ca 0.25 -0.88 0.28 0.00 0.08 0.00 0.00 57.88 57.60 2rlz h LEU 50 Cb 0.56 -0.01 -0.04 0.00 1.08 0.00 0.00 40.66 42.25 2rlz h LEU 50 CO -0.06 1.14 0.77 0.24 -1.08 0.00 0.00 178.44 179.45 2rlz h MET 51 N -0.96 0.00 0.06 1.13 2.86 -0.38 -0.10 114.93 117.54 2rlz h MET 51 Ca -0.09 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2rlz h MET 51 Cb 1.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.78 2rlz h MET 51 CO -0.04 0.00 -0.03 0.77 1.06 0.00 0.00 176.91 178.67 2rlz h SER 52 N 0.00 -0.07 -1.80 1.22 0.02 -1.42 -3.47 113.55 108.04 2rlz h SER 52 Ca 0.46 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2rlz h SER 52 Cb 1.99 0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.54 2rlz h SER 52 CO -0.00 0.64 0.00 0.18 -1.14 0.00 0.00 176.83 176.50 2rlz n LEU 53 N -4.78 0.00 -3.84 5.07 4.77 -0.05 -5.14 117.00 113.03 2rlz n LEU 53 Ca -0.08 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.84 2rlz n LEU 53 Cb 0.31 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.42 2rlz n LEU 53 CO 0.27 -0.16 0.67 0.00 -1.33 0.00 0.00 177.39 176.84 2rlz s ALA 54 N -2.86 -1.16 0.35 -1.18 0.00 -1.26 -4.87 121.76 110.78 2rlz s ALA 54 Ca 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.44 2rlz s ALA 54 Cb 0.00 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 2rlz s ALA 54 CO 0.00 -1.03 0.40 0.14 0.00 0.00 0.00 175.76 175.28 2rlz s VAL 55 N -2.27 0.00 -0.01 0.00 -7.23 -1.26 -5.12 120.40 104.51 2rlz s VAL 55 Ca 0.18 -1.77 -0.19 0.00 -1.81 0.00 0.00 61.98 58.39 2rlz s VAL 55 Cb -0.04 -2.60 0.04 0.00 0.56 0.00 0.00 36.38 34.33 2rlz s VAL 55 CO 0.08 0.00 0.42 -0.94 -0.31 0.00 0.00 175.10 174.35 2rlz s SER 56 N -3.31 -0.32 -0.03 4.85 1.04 -1.26 -4.51 113.70 110.16 2rlz s SER 56 Ca 0.35 0.20 -0.37 0.00 0.48 0.00 0.00 55.95 56.62 2rlz s SER 56 Cb 0.01 0.39 -0.15 0.00 0.10 0.00 0.00 66.02 66.36 2rlz s SER 56 CO 0.24 -0.54 1.60 0.35 0.98 0.00 0.00 173.24 175.88 2rlz n THR 57 N 1.01 0.20 0.00 2.02 -2.24 -1.26 -0.55 114.28 113.45 2rlz n THR 57 Ca -0.20 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2rlz n THR 57 Cb 0.57 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 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 3.52 0.31 3.89 3.38 0.00 -1.26 -5.08 105.19 109.96 2rlz n GLY 58 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.00 3.91 0.35 2.61 2.01 0.29 -5.10 115.64 117.72 2rlz s THR 59 Ca 0.00 0.36 0.04 0.00 0.31 0.00 0.00 61.69 62.39 2rlz s THR 59 Cb 0.00 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 2rlz s THR 59 CO 0.00 -0.69 0.13 -1.61 -0.69 0.00 0.00 174.62 171.76 2rlz s GLU 60 N -5.14 1.75 -0.13 4.92 2.02 -1.26 -4.97 118.70 115.89 2rlz s GLU 60 Ca 0.55 -2.03 -0.12 0.00 0.02 0.00 0.00 54.97 53.39 2rlz s GLU 60 Cb -0.11 -0.48 0.04 0.00 0.10 0.00 0.00 34.13 33.68 2rlz s GLU 60 CO 0.49 -0.41 0.36 0.54 0.02 0.00 0.00 175.26 176.26 2rlz s VAL 61 N -3.37 -0.00 -0.71 2.63 0.11 -1.26 -4.80 120.40 113.00 2rlz s VAL 61 Ca 0.31 0.01 -0.25 0.00 -2.93 0.00 0.00 61.98 59.11 2rlz s VAL 61 Cb 0.05 -0.50 0.05 0.00 -1.53 0.00 0.00 36.38 34.44 2rlz s VAL 61 CO 0.16 0.00 1.13 -0.89 -3.33 0.00 0.00 175.10 172.17 2rlz s THR 62 N 0.25 4.02 -0.30 5.04 2.01 0.26 -4.86 115.64 122.06 2rlz s THR 62 Ca -0.00 0.00 -0.22 0.00 0.31 0.00 0.00 61.69 61.78 2rlz s THR 62 Cb -0.03 -4.81 -0.01 0.00 0.01 0.00 0.00 72.50 67.67 2rlz s THR 62 CO -0.00 -1.67 0.70 -0.22 -0.69 0.00 0.00 174.62 172.75 2rlz s LEU 63 N 4.90 4.12 -0.16 4.42 0.20 -1.26 -1.64 118.68 129.26 2rlz s LEU 63 Ca 0.29 0.55 -0.00 0.00 0.69 0.00 0.00 54.13 55.66 2rlz s LEU 63 Cb -0.12 -2.94 0.04 0.00 -0.43 0.00 0.00 46.19 42.73 2rlz s LEU 63 CO 0.12 -0.54 -0.08 -0.63 -0.29 0.00 0.00 176.35 174.93 2rlz s ILE 64 N 2.76 1.28 -0.21 6.68 1.01 -0.33 -4.99 121.20 127.41 2rlz s ILE 64 Ca 0.29 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.31 2rlz s ILE 64 Cb -0.15 -1.36 0.03 0.00 0.01 0.00 0.00 42.46 41.00 2rlz s ILE 64 CO 0.12 0.24 -0.16 0.00 0.00 0.00 0.00 174.94 175.13 2rlz s ALA 65 N 1.58 2.37 -0.42 9.38 0.00 -1.26 -0.78 121.76 132.62 2rlz s ALA 65 Ca 0.02 -1.38 -0.09 0.00 0.00 0.00 0.00 51.96 50.51 2rlz s ALA 65 Cb -0.15 -1.31 0.08 0.00 0.00 0.00 0.00 23.12 21.74 2rlz s ALA 65 CO -0.08 -0.65 0.26 1.14 0.00 0.00 0.00 175.76 176.42 2rlz s GLN 66 N 1.24 2.55 0.00 0.00 -2.07 -1.24 -4.95 119.66 115.19 2rlz s GLN 66 Ca 0.00 -1.50 0.00 0.00 -1.82 0.00 0.00 55.36 52.04 2rlz s GLN 66 Cb -0.15 -3.76 0.00 0.00 -1.09 0.00 0.00 33.01 28.00 2rlz s GLN 66 CO -0.10 -0.97 0.00 0.41 -1.32 0.00 0.00 175.29 173.31 2rlz n GLY 67 N 4.89 0.48 0.11 2.60 0.00 -1.26 -4.46 105.19 107.56 2rlz n GLY 67 Ca -0.09 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.82 2rlz n GLY 67 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2rlz h GLU 68 N 0.00 0.29 -1.00 1.61 4.39 -2.00 -3.29 114.58 114.59 2rlz h GLU 68 Ca 0.00 -0.49 -0.33 0.00 0.34 0.00 0.00 59.36 58.88 2rlz h GLU 68 Cb 0.00 0.18 -0.19 0.00 -0.10 0.00 0.00 28.75 28.64 2rlz h GLU 68 CO 0.00 1.24 0.41 -0.25 -1.16 0.00 0.00 179.01 179.25 2rlz n ASP 69 N -4.11 3.48 0.00 1.42 8.00 -1.26 -4.46 116.55 119.62 2rlz n ASP 69 Ca -0.15 -3.01 0.01 0.00 0.71 0.00 0.00 54.79 52.34 2rlz n ASP 69 Cb 0.83 -0.71 0.03 0.00 -0.02 0.00 0.00 41.12 41.25 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 -0.53 0.24 -0.25 -1.24 -0.00 -1.24 -3.40 120.64 114.23 2rlz n GLU 70 Ca 0.38 0.00 0.25 0.00 -0.00 0.00 0.00 57.16 57.78 2rlz n GLU 70 Cb 1.24 -1.07 0.61 0.00 -0.00 0.00 0.00 31.44 32.22 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 0.22 -0.99 3.44 4.15 -1.90 0.10 115.11 120.14 2rlz h GLN 71 Ca 0.00 -0.01 0.20 0.00 0.77 0.00 0.00 58.65 59.60 2rlz h GLN 71 Cb 0.00 -0.05 -0.10 0.00 0.21 0.00 0.00 27.48 27.54 2rlz h GLN 71 CO 0.00 0.15 0.62 1.05 -1.93 0.00 0.00 178.83 178.71 2rlz h GLU 72 N 0.23 0.64 -0.27 1.69 -0.00 -1.93 1.23 114.58 116.18 2rlz h GLU 72 Ca 0.49 -0.04 -0.03 0.00 -0.00 0.00 0.00 59.36 59.78 2rlz h GLU 72 Cb 1.53 -0.14 -0.01 0.00 -0.00 0.00 0.00 28.75 30.12 2rlz h GLU 72 CO -0.13 0.42 0.06 0.00 -0.00 0.00 0.00 179.01 179.36 2rlz h ALA 73 N 1.63 0.35 0.14 1.06 0.00 -1.10 -0.73 119.26 120.62 2rlz h ALA 73 Ca 0.55 -0.17 -0.22 0.00 0.00 0.00 0.00 54.91 55.07 2rlz h ALA 73 Cb 1.00 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.71 2rlz h ALA 73 CO -0.32 0.02 -1.01 -0.07 0.00 0.00 0.00 179.25 177.86 2rlz h LEU 74 N 0.25 0.47 0.20 0.00 3.38 -1.29 -2.10 115.31 116.23 2rlz h LEU 74 Ca 0.08 -0.92 -0.01 0.00 0.09 0.00 0.00 57.88 57.12 2rlz h LEU 74 Cb 0.30 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2rlz h LEU 74 CO 0.00 1.47 -0.10 -0.08 0.09 0.00 0.00 178.44 179.83 2rlz h GLU 75 N -0.33 -0.26 0.05 1.13 4.57 0.14 -3.29 114.58 116.60 2rlz h GLU 75 Ca -0.19 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.00 2rlz h GLU 75 Cb 1.71 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.36 2rlz h GLU 75 CO 0.13 -0.17 -0.02 -0.22 -1.18 0.00 0.00 179.01 177.54 2rlz h LYS 76 N -0.45 -0.07 -0.40 1.92 1.63 -1.31 -3.12 116.57 114.77 2rlz h LYS 76 Ca -0.03 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.86 2rlz h LYS 76 Cb 0.21 0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 31.77 2rlz h LYS 76 CO 0.05 -0.04 -0.19 -0.07 -3.45 0.00 0.00 179.45 175.74 2rlz h LEU 77 N -0.21 -0.65 -1.93 5.20 4.07 -1.32 0.36 115.31 120.83 2rlz h LEU 77 Ca -0.01 0.15 0.10 0.00 0.08 0.00 0.00 57.88 58.20 2rlz h LEU 77 Cb 0.05 0.36 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 2rlz h LEU 77 CO 0.01 -0.22 0.27 0.00 -1.08 0.00 0.00 178.44 177.42 2rlz h ALA 78 N 1.17 2.26 0.01 1.53 0.00 -1.44 0.55 119.26 123.34 2rlz h ALA 78 Ca 0.20 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 2rlz h ALA 78 Cb 0.42 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.22 2rlz h ALA 78 CO -0.48 -0.37 -0.48 0.00 0.00 0.00 0.00 179.25 177.92 2rlz h ALA 79 N 1.80 0.04 -0.38 0.00 0.00 -0.54 -2.48 119.26 117.70 2rlz h ALA 79 Ca 0.18 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 2rlz h ALA 79 Cb 0.62 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2rlz h ALA 79 CO -0.02 0.25 0.06 1.88 0.00 0.00 0.00 179.25 181.42 2rlz h TYR 80 N -0.28 0.68 0.00 0.00 -1.99 0.57 -2.18 116.97 113.77 2rlz h TYR 80 Ca -0.06 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.57 2rlz h TYR 80 Cb 1.23 -0.19 0.00 0.00 2.00 0.00 0.00 36.73 39.77 2rlz h TYR 80 CO 0.17 0.69 0.00 0.28 -0.00 0.00 0.00 178.16 179.29 2rlz h VAL 81 N 0.48 0.00 0.00 -2.88 2.07 -0.03 -2.00 116.25 113.89 2rlz h VAL 81 Ca 0.12 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2rlz h VAL 81 Cb 0.38 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2rlz h VAL 81 CO 0.01 0.00 0.00 1.67 0.02 0.00 0.00 177.57 179.27 2rlz n GLN 82 N -2.93 0.19 -2.64 1.57 -0.06 -0.82 -4.92 117.38 107.77 2rlz n GLN 82 Ca -0.00 0.14 -0.03 0.00 -2.00 0.00 0.00 57.00 55.10 2rlz n GLN 82 Cb 0.21 -1.50 -0.03 0.00 -4.06 0.00 0.00 30.24 24.86 2rlz n GLN 82 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 2rlz n GLU 83 N -1.21 -3.70 -1.52 3.69 2.13 -0.75 -4.45 120.64 114.84 2rlz n GLU 83 Ca 0.05 2.81 -0.23 0.00 0.66 0.00 0.00 57.16 60.46 2rlz n GLU 83 Cb 0.07 -3.78 -0.17 0.00 0.27 0.00 0.00 31.44 27.82 2rlz n GLU 83 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2rlz n GLU 84 N 1.95 0.19 0.00 5.31 1.02 -1.26 -5.11 120.64 122.74 2rlz n GLU 84 Ca -0.24 -0.21 0.00 0.00 -0.02 0.00 0.00 57.16 56.69 2rlz n GLU 84 Cb 0.37 -1.84 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 2rlz n GLU 84 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59