#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocz n SER 2 N 0.00 1.38 0.00 0.00 2.88 -1.26 -5.19 113.62 111.43 1ocz n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ocz n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ocz n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ocz n ALA 3 N -3.00 0.00 -2.36 -1.46 0.00 -1.26 -5.10 120.51 107.34 1ocz n ALA 3 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1ocz n ALA 3 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1ocz n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ocz n ALA 4 N -0.09 2.57 -0.84 0.00 0.00 -1.26 -5.05 120.51 115.84 1ocz n ALA 4 Ca 0.00 -0.76 -0.27 0.00 0.00 0.00 0.00 53.44 52.42 1ocz n ALA 4 Cb 0.00 -0.59 -0.09 0.00 0.00 0.00 0.00 19.45 18.77 1ocz n ALA 4 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1ocz n LYS 5 N -0.80 0.02 0.00 0.00 2.85 -1.26 -4.83 118.16 114.14 1ocz n LYS 5 Ca -0.19 -0.86 0.00 0.00 -1.05 0.00 0.00 58.31 56.21 1ocz n LYS 5 Cb 0.75 -2.36 0.00 0.00 -0.65 0.00 0.00 35.03 32.77 1ocz n LYS 5 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ocz n GLY 6 N 4.88 0.56 3.18 2.58 0.00 -1.26 -4.63 105.19 110.50 1ocz n GLY 6 Ca 0.33 0.15 -0.26 0.00 0.00 0.00 0.00 46.02 46.24 1ocz n GLY 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ocz s ASP 7 N -1.16 2.19 0.00 1.61 2.15 -1.26 -4.95 116.67 115.25 1ocz s ASP 7 Ca 0.00 -0.34 0.00 0.00 0.43 0.00 0.00 52.55 52.64 1ocz s ASP 7 Cb 0.00 -0.27 0.00 0.00 -0.30 0.00 0.00 42.92 42.35 1ocz s ASP 7 CO 0.00 0.22 0.00 1.41 -0.17 0.00 0.00 175.17 176.63 1ocz n HIS 8 N 2.66 0.00 -2.69 -5.34 8.25 -1.26 -5.05 115.22 111.78 1ocz n HIS 8 Ca -0.15 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.27 1ocz n HIS 8 Cb 0.53 -0.51 0.12 0.00 1.12 0.00 0.00 29.99 31.25 1ocz n HIS 8 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ocz n GLY 9 N 1.35 1.73 3.59 -1.41 0.00 -1.26 -4.96 105.19 104.23 1ocz n GLY 9 Ca 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 1ocz n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ocz s GLY 10 N -1.41 -0.27 0.00 -0.02 0.00 -1.26 -5.12 107.32 99.25 1ocz s GLY 10 Ca 0.16 2.14 0.00 0.00 0.00 0.00 0.00 44.72 47.02 1ocz s GLY 10 CO -0.10 1.26 0.00 -1.30 0.00 0.00 0.00 173.10 172.96 1ocz n THR 11 N 1.19 0.00 0.00 0.90 -2.24 -1.26 -4.92 114.28 107.95 1ocz n THR 11 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1ocz n THR 11 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1ocz n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ocz n GLY 12 N 0.09 2.61 0.35 3.38 0.00 -1.26 -4.81 105.19 105.55 1ocz n GLY 12 Ca 0.00 -1.02 0.10 0.00 0.00 0.00 0.00 46.02 45.10 1ocz n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ocz h ALA 13 N 0.00 1.56 -0.75 4.61 0.00 -1.99 -0.53 119.26 122.16 1ocz h ALA 13 Ca 0.00 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1ocz h ALA 13 Cb 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 1ocz h ALA 13 CO 0.00 0.04 0.43 -0.09 0.00 0.00 0.00 179.25 179.63 1ocz h ARG 14 N 0.82 0.75 -0.69 0.00 2.43 -1.99 0.06 114.38 115.77 1ocz h ARG 14 Ca 0.54 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.60 1ocz h ARG 14 Cb 0.72 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 1ocz h ARG 14 CO -0.34 0.50 0.21 1.15 -1.51 0.00 0.00 179.97 179.97 1ocz h THR 15 N 0.78 1.25 -0.02 0.20 2.02 -1.43 -1.03 112.91 114.68 1ocz h THR 15 Ca 0.34 -0.88 -0.13 0.00 0.77 0.00 0.00 66.41 66.51 1ocz h THR 15 Cb 0.22 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1ocz h THR 15 CO -0.20 0.34 -0.60 -0.50 0.37 0.00 0.00 175.52 174.93 1ocz h TRP 16 N 1.02 0.10 -0.31 3.16 4.06 -0.70 -1.72 115.95 121.56 1ocz h TRP 16 Ca 0.22 -0.04 -0.15 0.00 2.06 0.00 0.00 58.89 60.98 1ocz h TRP 16 Cb 0.30 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.44 1ocz h TRP 16 CO 0.02 0.66 -0.41 -0.09 -3.56 0.00 0.00 178.44 175.06 1ocz h ARG 17 N 0.06 0.76 0.02 0.49 1.12 -0.74 -1.22 114.38 114.88 1ocz h ARG 17 Ca -0.01 -0.40 -0.00 0.00 -1.11 0.00 0.00 59.98 58.46 1ocz h ARG 17 Cb 1.08 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 31.06 1ocz h ARG 17 CO 0.08 1.03 -0.01 0.35 -3.11 0.00 0.00 179.97 178.31 1ocz h PHE 18 N 0.62 -0.03 -0.53 2.20 3.57 -0.87 -2.21 116.94 119.68 1ocz h PHE 18 Ca 0.05 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 1ocz h PHE 18 Cb 0.96 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 1ocz h PHE 18 CO 0.05 0.01 0.08 -0.07 -2.23 0.00 0.00 178.31 176.15 1ocz h LEU 19 N -0.06 0.79 0.19 0.59 3.38 -1.21 0.78 115.31 119.77 1ocz h LEU 19 Ca -0.00 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1ocz h LEU 19 Cb 0.05 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1ocz h LEU 19 CO 0.01 0.80 -0.40 0.74 0.09 0.00 0.00 178.44 179.68 1ocz h THR 20 N 0.79 0.19 0.00 0.22 2.02 -0.74 0.96 112.91 116.36 1ocz h THR 20 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.35 1ocz h THR 20 Cb 0.36 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1ocz h THR 20 CO 0.01 0.00 -0.73 -0.26 0.37 0.00 0.00 175.52 174.90 1ocz h PHE 21 N -0.67 0.00 0.00 3.16 0.04 -1.37 0.04 116.94 118.15 1ocz h PHE 21 Ca 0.01 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.50 1ocz h PHE 21 Cb 0.67 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.77 1ocz h PHE 21 CO -0.32 0.00 -1.75 0.41 -0.60 0.00 0.00 178.31 176.05 1ocz n GLY 22 N 1.30 -1.04 0.63 -1.45 0.00 0.27 -4.52 105.19 100.39 1ocz n GLY 22 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1ocz n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ocz n LEU 23 N -2.96 0.00 -0.07 0.99 7.94 0.13 -4.79 117.00 118.25 1ocz n LEU 23 Ca -0.18 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.71 1ocz n LEU 23 Cb 1.02 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.95 1ocz n LEU 23 CO 0.44 -0.25 0.29 0.00 -1.11 0.00 0.00 177.39 176.76 1ocz n ALA 24 N -1.76 -0.10 -0.06 1.96 0.00 -0.06 -1.96 120.51 118.54 1ocz n ALA 24 Ca 0.00 0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.47 1ocz n ALA 24 Cb 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 19.45 19.60 1ocz n ALA 24 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ocz h LEU 25 N 0.00 0.28 -1.47 0.00 3.38 -1.21 -2.76 115.31 113.54 1ocz h LEU 25 Ca 0.03 -0.12 0.16 0.00 0.09 0.00 0.00 57.88 58.04 1ocz h LEU 25 Cb 0.07 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 1ocz h LEU 25 CO -0.15 0.32 0.55 -0.65 0.09 0.00 0.00 178.44 178.61 1ocz h PRO 26 N 0.22 0.48 0.78 1.13 0.11 -1.62 -0.24 132.00 132.86 1ocz h PRO 26 Ca 0.07 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.12 1ocz h PRO 26 Cb 0.12 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.12 1ocz h PRO 26 CO -0.01 0.32 -0.49 0.77 -0.21 0.00 0.00 178.00 178.38 1ocz h SER 27 N 0.50 -1.25 -0.94 -2.05 0.02 -1.19 0.13 113.55 108.77 1ocz h SER 27 Ca 0.43 0.07 0.27 0.00 -0.84 0.00 0.00 61.79 61.72 1ocz h SER 27 Cb 0.91 0.37 -0.04 0.00 0.14 0.00 0.00 62.40 63.78 1ocz h SER 27 CO -0.17 -0.75 0.68 0.58 -1.14 0.00 0.00 176.83 176.03 1ocz h VAL 28 N -1.20 0.53 0.04 2.27 2.07 -0.93 0.59 116.25 119.62 1ocz h VAL 28 Ca -0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1ocz h VAL 28 Cb 0.97 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1ocz h VAL 28 CO 0.10 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 177.67 1ocz h ALA 29 N 1.53 -0.05 0.39 1.67 0.00 0.35 -1.53 119.26 121.62 1ocz h ALA 29 Ca 0.45 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1ocz h ALA 29 Cb 1.80 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.58 1ocz h ALA 29 CO -0.00 -0.20 -0.51 -0.07 0.00 0.00 0.00 179.25 178.46 1ocz h LEU 30 N -0.71 -1.45 -2.00 0.00 3.38 0.13 -0.26 115.31 114.41 1ocz h LEU 30 Ca -0.01 0.13 0.16 0.00 0.09 0.00 0.00 57.88 58.25 1ocz h LEU 30 Cb 0.62 0.49 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1ocz h LEU 30 CO 0.01 -0.64 0.46 0.00 0.09 0.00 0.00 178.44 178.37 1ocz h THR 32 N 0.00 1.33 0.27 0.00 2.02 -0.31 -0.36 112.91 115.86 1ocz h THR 32 Ca 0.27 -2.45 -0.01 0.00 0.77 0.00 0.00 66.41 64.99 1ocz h THR 32 Cb 1.19 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 70.39 1ocz h THR 32 CO -0.00 0.73 -0.13 0.25 0.37 0.00 0.00 175.52 176.74 1ocz h LEU 33 N 0.13 -0.31 -0.22 2.58 5.85 0.67 -2.69 115.31 121.31 1ocz h LEU 33 Ca -0.18 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.49 1ocz h LEU 33 Cb 1.84 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.88 1ocz h LEU 33 CO 0.22 -0.09 -0.52 -1.13 -0.34 0.00 0.00 178.44 176.57 1ocz h ASN 34 N -0.52 -1.68 0.00 1.25 -1.24 -0.79 0.71 115.58 113.31 1ocz h ASN 34 Ca -0.04 0.21 0.00 0.00 0.71 0.00 0.00 56.30 57.18 1ocz h ASN 34 Cb 0.38 0.67 0.00 0.00 0.73 0.00 0.00 38.32 40.10 1ocz h ASN 34 CO 0.06 -0.43 0.01 -1.20 -1.29 0.00 0.00 177.43 174.59 1ocz n SER 35 N -5.25 0.12 -0.00 1.15 7.64 -0.15 -0.41 113.62 116.73 1ocz n SER 35 Ca -0.05 0.55 0.03 0.00 1.01 0.00 0.00 58.87 60.41 1ocz n SER 35 Cb 0.34 -0.56 -0.05 0.00 -1.01 0.00 0.00 64.21 62.94 1ocz n SER 35 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1ocz n TRP 36 N -1.66 0.00 1.73 1.43 2.14 0.08 -3.50 117.44 117.67 1ocz n TRP 36 Ca -0.00 0.00 0.07 0.00 2.07 0.00 0.00 57.50 59.64 1ocz n TRP 36 Cb 0.02 -0.04 0.36 0.00 -0.81 0.00 0.00 31.31 30.84 1ocz n TRP 36 CO 0.00 0.00 0.00 -0.11 2.07 0.00 0.00 177.69 179.65 1ocz n LEU 37 N -1.32 0.52 -0.09 5.67 7.94 0.22 -2.27 117.00 127.67 1ocz n LEU 37 Ca 0.01 -0.23 0.00 0.00 -1.11 0.00 0.00 56.01 54.68 1ocz n LEU 37 Cb 0.13 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.04 1ocz n LEU 37 CO 0.15 0.12 0.26 1.41 -1.11 0.00 0.00 177.39 178.21 1ocz n HIS 38 N -0.37 0.00 -1.27 1.96 8.25 -1.11 -4.98 115.22 117.70 1ocz n HIS 38 Ca 0.11 -0.02 -0.32 0.00 -0.26 0.00 0.00 57.72 57.23 1ocz n HIS 38 Cb 0.13 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.16 1ocz n HIS 38 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1ocz n SER 39 N -0.02 7.89 0.00 0.41 3.41 -0.96 -4.78 113.62 119.56 1ocz n SER 39 Ca 0.00 -2.58 0.00 0.00 -0.26 0.00 0.00 58.87 56.03 1ocz n SER 39 Cb 0.53 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 1ocz n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ocz n GLY 40 N 3.21 0.75 3.64 5.00 0.00 -1.26 -5.03 105.19 111.49 1ocz n GLY 40 Ca 0.69 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.66 1ocz n GLY 40 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ocz s HIS 41 N 0.90 -0.69 0.39 1.61 3.76 -1.26 -5.16 115.29 114.84 1ocz s HIS 41 Ca 0.00 1.42 -0.24 0.00 -0.15 0.00 0.00 55.06 56.09 1ocz s HIS 41 Cb 0.00 0.42 -0.09 0.00 1.11 0.00 0.00 32.58 34.02 1ocz s HIS 41 CO 0.00 -0.34 1.05 -0.98 -0.85 0.00 0.00 174.74 173.62 1ocz s ARG 42 N 1.21 4.21 0.06 1.40 3.03 -1.26 -5.00 118.95 122.60 1ocz s ARG 42 Ca -0.07 1.54 -0.30 0.00 2.03 0.00 0.00 55.73 58.93 1ocz s ARG 42 Cb -0.04 -2.60 -0.05 0.00 -1.03 0.00 0.00 34.95 31.23 1ocz s ARG 42 CO -0.14 -0.11 1.08 -1.21 -1.13 0.00 0.00 175.30 173.78 1ocz s GLU 43 N -2.40 4.53 -0.10 3.89 0.41 -1.26 -4.94 118.70 118.83 1ocz s GLU 43 Ca 0.57 1.60 -0.37 0.00 -0.41 0.00 0.00 54.97 56.36 1ocz s GLU 43 Cb -0.23 -3.38 -0.14 0.00 -1.78 0.00 0.00 34.13 28.60 1ocz s GLU 43 CO 0.29 -0.09 1.72 2.89 -0.49 0.00 0.00 175.26 179.59 1ocz n ARG 44 N 3.59 1.67 -1.60 1.61 1.85 -1.26 -4.84 116.66 117.68 1ocz n ARG 44 Ca 0.06 0.61 -0.48 0.00 -1.00 0.00 0.00 57.85 57.04 1ocz n ARG 44 Cb 0.48 -2.36 -0.04 0.00 -1.05 0.00 0.00 32.46 29.49 1ocz n ARG 44 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1ocz n PRO 45 N 5.24 1.35 -1.70 2.89 -0.02 -1.26 -4.88 135.00 136.62 1ocz n PRO 45 Ca 0.23 0.48 -0.44 0.00 -2.02 0.00 0.00 63.50 61.75 1ocz n PRO 45 Cb 0.22 -2.03 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 1ocz n PRO 45 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ocz n ALA 46 N 1.73 1.66 -2.61 3.55 0.00 -1.26 -4.91 120.51 118.67 1ocz n ALA 46 Ca 0.15 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.57 1ocz n ALA 46 Cb 0.25 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.32 1ocz n ALA 46 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1ocz s PHE 47 N 0.12 3.44 -0.05 0.00 2.19 -1.26 -5.03 117.98 117.39 1ocz s PHE 47 Ca 0.68 1.48 -0.02 0.00 0.33 0.00 0.00 56.93 59.41 1ocz s PHE 47 Cb -0.60 -3.26 0.03 0.00 -1.31 0.00 0.00 43.02 37.88 1ocz s PHE 47 CO 0.47 -0.56 0.05 -1.50 1.83 0.00 0.00 175.22 175.50 1ocz s ILE 48 N 1.89 0.02 -0.09 3.12 1.10 -1.26 -5.06 121.20 120.92 1ocz s ILE 48 Ca 0.51 0.32 -0.01 0.00 -0.51 0.00 0.00 60.65 60.96 1ocz s ILE 48 Cb -0.21 -0.27 -0.04 0.00 0.15 0.00 0.00 42.46 42.09 1ocz s ILE 48 CO 0.21 0.18 1.14 -0.81 -2.11 0.00 0.00 174.94 173.56 1ocz n PRO 49 N 5.26 0.45 -1.70 3.50 -0.04 -1.26 -4.92 135.00 136.28 1ocz n PRO 49 Ca -0.04 -0.37 -0.39 0.00 -0.04 0.00 0.00 63.50 62.65 1ocz n PRO 49 Cb 0.50 -1.76 0.03 0.00 -0.04 0.00 0.00 33.50 32.23 1ocz n PRO 49 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ocz n TYR 50 N 3.50 1.93 0.05 0.54 4.01 -1.26 -4.94 117.16 120.98 1ocz n TYR 50 Ca 0.10 0.46 -0.07 0.00 -0.16 0.00 0.00 57.90 58.22 1ocz n TYR 50 Cb 0.12 -2.32 -0.12 0.00 -0.31 0.00 0.00 39.34 36.71 1ocz n TYR 50 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ocz h HIS 51 N 1.46 0.01 0.00 -0.72 3.86 -2.01 -3.30 115.15 114.44 1ocz h HIS 51 Ca -0.49 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1ocz h HIS 51 Cb 1.31 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.78 1ocz h HIS 51 CO 0.44 1.01 0.00 -2.39 0.86 0.00 0.00 177.93 177.85 1ocz n HIS 52 N -3.30 0.00 -4.40 2.45 1.44 -1.26 -4.72 115.22 105.43 1ocz n HIS 52 Ca -0.03 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.47 1ocz n HIS 52 Cb 0.96 -0.02 -0.10 0.00 0.12 0.00 0.00 29.99 30.95 1ocz n HIS 52 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1ocz s LEU 53 N -0.75 1.87 -1.03 2.39 1.43 -1.25 -4.81 118.68 116.54 1ocz s LEU 53 Ca 0.00 -1.49 -0.05 0.00 -1.03 0.00 0.00 54.13 51.56 1ocz s LEU 53 Cb 0.00 -0.07 0.04 0.00 0.03 0.00 0.00 46.19 46.19 1ocz s LEU 53 CO 0.00 -0.78 0.24 0.54 0.23 0.00 0.00 176.35 176.57 1ocz n ARG 54 N -0.66 -2.83 -1.75 1.70 3.00 -1.26 -4.85 116.66 110.02 1ocz n ARG 54 Ca -0.02 0.44 -0.41 0.00 -0.01 0.00 0.00 57.85 57.85 1ocz n ARG 54 Cb 0.66 -5.08 -0.00 0.00 0.00 0.00 0.00 32.46 28.04 1ocz n ARG 54 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1ocz n ILE 55 N -3.53 2.02 -3.34 0.55 5.41 -1.26 -4.75 119.36 114.47 1ocz n ILE 55 Ca -0.06 -0.50 -0.12 0.00 1.00 0.00 0.00 62.75 63.07 1ocz n ILE 55 Cb 0.56 -1.85 -0.07 0.00 -0.71 0.00 0.00 39.64 37.57 1ocz n ILE 55 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1ocz s ARG 56 N -2.05 0.47 -0.01 0.38 1.81 -1.26 -4.96 118.95 113.34 1ocz s ARG 56 Ca 0.54 -0.21 0.18 0.00 -1.72 0.00 0.00 55.73 54.53 1ocz s ARG 56 Cb -0.50 -0.47 -0.22 0.00 -0.45 0.00 0.00 34.95 33.31 1ocz s ARG 56 CO 0.63 -1.08 0.70 0.25 -0.68 0.00 0.00 175.30 175.12 1ocz n THR 57 N 5.01 0.00 -3.64 0.02 -2.24 -1.26 -4.94 114.28 107.24 1ocz n THR 57 Ca 0.03 -0.14 -0.06 0.00 -2.27 0.00 0.00 64.05 61.61 1ocz n THR 57 Cb 0.48 0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 69.45 1ocz n THR 57 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ocz s LYS 58 N -2.84 0.55 0.27 -0.78 2.20 -1.26 -5.15 119.74 112.73 1ocz s LYS 58 Ca 0.04 0.89 -0.31 0.00 -0.36 0.00 0.00 55.97 56.23 1ocz s LYS 58 Cb 0.13 0.14 -0.12 0.00 -1.51 0.00 0.00 37.83 36.47 1ocz s LYS 58 CO 0.75 -0.11 1.57 -0.35 -0.36 0.00 0.00 175.35 176.86 1ocz n PRO 59 N 3.69 2.55 -1.85 4.03 -0.04 -1.26 -4.96 135.00 137.17 1ocz n PRO 59 Ca -0.18 0.91 -0.41 0.00 -0.04 0.00 0.00 63.50 63.78 1ocz n PRO 59 Cb 0.58 -2.67 -0.01 0.00 -0.04 0.00 0.00 33.50 31.36 1ocz n PRO 59 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1ocz s PHE 60 N 0.14 2.72 0.00 0.54 0.08 -1.08 -4.86 117.98 115.51 1ocz s PHE 60 Ca 0.67 1.08 -0.01 0.00 0.12 0.00 0.00 56.93 58.78 1ocz s PHE 60 Cb -0.54 -3.98 -0.05 0.00 -0.57 0.00 0.00 43.02 37.88 1ocz s PHE 60 CO 0.47 -3.01 1.97 -1.13 -0.10 0.00 0.00 175.22 173.42 1ocz n SER 61 N 1.12 4.31 -3.64 1.36 3.41 -1.26 -3.86 113.62 115.07 1ocz n SER 61 Ca 0.03 -2.18 -0.10 0.00 -0.26 0.00 0.00 58.87 56.36 1ocz n SER 61 Cb 0.39 -0.97 -0.07 0.00 -0.26 0.00 0.00 64.21 63.30 1ocz n SER 61 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 1ocz s TRP 62 N 0.63 -0.58 0.00 7.33 -2.14 -1.26 -5.05 118.94 117.87 1ocz s TRP 62 Ca 0.13 1.39 0.00 0.00 2.66 0.00 0.00 56.10 60.28 1ocz s TRP 62 Cb 0.06 0.34 0.00 0.00 -3.10 0.00 0.00 33.47 30.78 1ocz s TRP 62 CO 0.00 -0.28 0.00 0.41 -2.66 0.00 0.00 176.95 174.42 1ocz n GLY 63 N 2.45 0.70 0.63 3.67 0.00 -1.26 -2.29 105.19 109.08 1ocz n GLY 63 Ca -0.13 -0.84 0.02 0.00 0.00 0.00 0.00 46.02 45.06 1ocz n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ocz n ASP 64 N 1.70 1.61 -2.72 1.61 5.75 -1.26 -4.85 116.55 118.39 1ocz n ASP 64 Ca 0.00 -2.13 -0.18 0.00 -0.01 0.00 0.00 54.79 52.47 1ocz n ASP 64 Cb 0.00 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 1ocz n ASP 64 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ocz n GLY 65 N 0.32 -0.50 0.00 6.12 0.00 -0.97 -4.73 105.19 105.43 1ocz n GLY 65 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1ocz n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ocz n ASN 66 N -2.09 0.00 -4.07 1.61 5.15 -1.26 -2.65 115.26 111.95 1ocz n ASN 66 Ca -0.14 -1.00 -0.32 0.00 -0.60 0.00 0.00 54.58 52.52 1ocz n ASN 66 Cb 0.62 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.71 1ocz n ASN 66 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1ocz s HIS 67 N 0.00 2.70 0.79 1.20 3.76 -1.26 -4.89 115.29 117.59 1ocz s HIS 67 Ca 0.00 -1.70 -0.15 0.00 -0.15 0.00 0.00 55.06 53.06 1ocz s HIS 67 Cb 0.00 -1.81 0.01 0.00 1.11 0.00 0.00 32.58 31.89 1ocz s HIS 67 CO 0.00 -0.79 0.75 0.25 -0.85 0.00 0.00 174.74 174.10 1ocz n THR 68 N 4.62 1.66 -0.14 1.30 -2.24 -1.26 -4.90 114.28 113.32 1ocz n THR 68 Ca -0.18 -0.30 -0.04 0.00 -2.27 0.00 0.00 64.05 61.26 1ocz n THR 68 Cb 0.48 -0.89 0.03 0.00 -2.10 0.00 0.00 70.33 67.84 1ocz n THR 68 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1ocz h PHE 69 N -0.73 -0.21 -0.90 4.78 3.57 -1.99 -1.94 116.94 119.53 1ocz h PHE 69 Ca -0.46 0.04 -0.61 0.00 3.53 0.00 0.00 57.97 60.47 1ocz h PHE 69 Cb 1.32 0.16 -0.32 0.00 2.79 0.00 0.00 35.95 39.90 1ocz h PHE 69 CO 0.39 -0.18 0.39 1.19 -2.23 0.00 0.00 178.31 177.87 1ocz n PHE 70 N -5.32 2.99 -1.69 0.41 3.01 -1.26 -5.00 117.46 110.59 1ocz n PHE 70 Ca 0.03 -2.68 -0.52 0.00 1.01 0.00 0.00 57.45 55.30 1ocz n PHE 70 Cb 0.24 -1.09 -0.06 0.00 -0.01 0.00 0.00 39.48 38.56 1ocz n PHE 70 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1ocz n HIS 71 N -0.90 2.22 -3.85 1.38 -0.00 -0.73 -4.93 115.22 108.41 1ocz n HIS 71 Ca 0.56 0.21 -0.35 0.00 0.46 0.00 0.00 57.72 58.61 1ocz n HIS 71 Cb 0.83 -2.58 -0.13 0.00 -0.12 0.00 0.00 29.99 27.99 1ocz n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1ocz s ASN 72 N 3.84 5.10 0.34 0.26 3.84 -1.26 -5.00 114.94 122.05 1ocz s ASN 72 Ca 0.95 -1.94 0.16 0.00 0.21 0.00 0.00 52.86 52.24 1ocz s ASN 72 Cb -0.84 -1.77 1.16 0.00 -0.55 0.00 0.00 41.25 39.25 1ocz s ASN 72 CO 0.57 -0.46 1.48 -2.65 -2.79 0.00 0.00 177.10 173.25 1ocz n PRO 73 N 4.53 -0.06 0.02 0.43 -0.02 -1.26 -0.62 135.00 138.02 1ocz n PRO 73 Ca -0.03 1.32 -0.13 0.00 -2.02 0.00 0.00 63.50 62.64 1ocz n PRO 73 Cb 0.42 -2.31 -0.09 0.00 -0.02 0.00 0.00 33.50 31.50 1ocz n PRO 73 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1ocz h ARG 74 N 0.00 -0.06 -0.01 -0.52 2.43 -1.98 -3.36 114.38 110.88 1ocz h ARG 74 Ca 0.75 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.93 1ocz h ARG 74 Cb 1.92 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.49 1ocz h ARG 74 CO -0.75 0.32 -0.35 1.33 -1.51 0.00 0.00 179.97 179.01 1ocz n VAL 75 N -4.94 0.00 -4.01 0.20 0.24 -0.94 -4.72 118.33 104.17 1ocz n VAL 75 Ca -0.08 -0.33 -0.33 0.00 -2.04 0.00 0.00 64.34 61.56 1ocz n VAL 75 Cb 0.21 1.24 -0.15 0.00 -1.47 0.00 0.00 33.84 33.68 1ocz n VAL 75 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1ocz s ASN 76 N -2.07 4.61 0.34 -1.34 0.02 0.21 -4.79 114.94 111.92 1ocz s ASN 76 Ca 0.16 -1.37 -0.16 0.00 -1.02 0.00 0.00 52.86 50.48 1ocz s ASN 76 Cb 0.15 -1.61 -0.09 0.00 0.02 0.00 0.00 41.25 39.72 1ocz s ASN 76 CO 0.45 -0.22 0.77 -2.16 0.02 0.00 0.00 177.10 175.95 1ocz s PRO 77 N 1.15 4.03 0.82 -0.60 0.04 -1.26 -4.44 135.00 134.73 1ocz s PRO 77 Ca -0.07 0.73 -0.14 0.00 0.04 0.00 0.00 61.00 61.55 1ocz s PRO 77 Cb -0.20 -2.39 0.20 0.00 0.04 0.00 0.00 34.50 32.14 1ocz s PRO 77 CO -0.04 0.12 0.98 1.28 0.04 0.00 0.00 177.00 179.38 1ocz n LEU 78 N -0.45 0.00 0.15 -3.56 4.32 -0.19 -4.86 117.00 112.41 1ocz n LEU 78 Ca 0.04 -1.06 0.01 0.00 -0.02 0.00 0.00 56.01 54.98 1ocz n LEU 78 Cb 0.53 -0.79 0.32 0.00 -1.62 0.00 0.00 43.42 41.87 1ocz n LEU 78 CO 0.41 -1.45 0.73 -0.65 -1.22 0.00 0.00 177.39 175.21 1ocz h PRO 79 N 0.00 0.11 -0.18 3.23 0.11 -1.90 -3.04 132.00 130.33 1ocz h PRO 79 Ca -0.33 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.57 1ocz h PRO 79 Cb 0.94 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1ocz h PRO 79 CO 0.23 0.44 -0.53 1.79 -0.21 0.00 0.00 178.00 179.72 1ocz h THR 80 N 0.10 1.32 0.00 -1.15 1.35 -1.97 -3.47 112.91 109.09 1ocz h THR 80 Ca 0.01 -1.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.10 1ocz h THR 80 Cb 0.65 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1ocz h THR 80 CO 0.05 0.55 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 1ocz n GLY 81 N 0.54 -0.10 3.59 5.82 0.00 -1.15 -5.01 105.19 108.88 1ocz n GLY 81 Ca -0.07 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 1ocz n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ocz n TYR 82 N -0.68 0.72 -0.29 1.61 4.01 -1.26 -1.02 117.16 120.26 1ocz n TYR 82 Ca 0.00 0.49 0.04 0.00 -0.16 0.00 0.00 57.90 58.27 1ocz n TYR 82 Cb 0.00 -2.15 0.13 0.00 -0.31 0.00 0.00 39.34 37.01 1ocz n TYR 82 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1ocz h GLU 83 N 0.92 0.02 0.00 -0.72 4.39 -1.78 -3.44 114.58 113.96 1ocz h GLU 83 Ca -0.46 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1ocz h GLU 83 Cb 1.36 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1ocz h GLU 83 CO 0.53 0.01 0.00 1.17 -1.16 0.00 0.00 179.01 179.56