#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v54 n SER 2 N 0.00 0.50 0.00 0.00 2.88 -1.26 -5.11 113.62 110.63 1v54 n SER 2 Ca 0.00 -1.14 0.00 0.00 -1.33 0.00 0.00 58.87 56.40 1v54 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1v54 n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1v54 n ALA 3 N -0.07 0.00 0.00 -1.46 0.00 -1.26 -4.41 120.51 113.31 1v54 n ALA 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1v54 n ALA 3 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1v54 n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v54 n ALA 4 N 2.21 0.00 -2.51 0.00 0.00 -1.26 -5.14 120.51 113.81 1v54 n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1v54 n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1v54 n ALA 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1v54 n LYS 5 N 0.00 0.16 0.08 0.00 5.02 -1.26 -5.15 118.16 117.01 1v54 n LYS 5 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1v54 n LYS 5 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1v54 n LYS 5 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1v54 n GLY 6 N 5.00 -1.72 0.00 0.72 0.00 -1.26 -5.11 105.19 102.82 1v54 n GLY 6 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1v54 n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1v54 n ASP 7 N -2.87 0.00 0.00 1.61 -0.08 -1.26 -4.71 116.55 109.24 1v54 n ASP 7 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1v54 n ASP 7 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1v54 n ASP 7 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1v54 n HIS 8 N 0.00 0.00 0.50 -0.67 8.25 -1.26 -4.58 115.22 117.46 1v54 n HIS 8 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.55 1v54 n HIS 8 Cb 0.00 -0.71 0.40 0.00 1.12 0.00 0.00 29.99 30.79 1v54 n HIS 8 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1v54 n GLY 9 N -0.08 -1.16 0.00 -1.41 0.00 -1.26 -5.15 105.19 96.13 1v54 n GLY 9 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1v54 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v54 n GLY 10 N 0.16 -1.37 0.00 -0.02 0.00 -1.26 -5.31 105.19 97.40 1v54 n GLY 10 Ca 0.03 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1v54 n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v54 n GLY 12 N -0.00 -0.68 0.33 -0.02 0.00 -1.26 -4.91 105.19 98.64 1v54 n GLY 12 Ca 0.00 -1.39 -0.01 0.00 0.00 0.00 0.00 46.02 44.62 1v54 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v54 h ALA 13 N 0.00 1.14 -0.66 4.61 0.00 -2.05 -1.94 119.26 120.35 1v54 h ALA 13 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1v54 h ALA 13 Cb 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1v54 h ALA 13 CO 0.00 0.39 0.26 -0.09 0.00 0.00 0.00 179.25 179.81 1v54 h ARG 14 N 1.07 0.98 -0.33 0.00 2.43 -1.99 -0.91 114.38 115.63 1v54 h ARG 14 Ca 0.35 -0.16 -0.10 0.00 -0.81 0.00 0.00 59.98 59.25 1v54 h ARG 14 Cb 0.02 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1v54 h ARG 14 CO -0.12 0.80 -0.20 1.15 -1.51 0.00 0.00 179.97 180.09 1v54 h THR 15 N 0.96 1.29 0.00 0.20 2.02 -1.79 -1.50 112.91 114.09 1v54 h THR 15 Ca 0.22 -1.33 -0.07 0.00 0.77 0.00 0.00 66.41 66.00 1v54 h THR 15 Cb 0.19 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1v54 h THR 15 CO -0.02 0.43 -0.35 -0.50 0.37 0.00 0.00 175.52 175.45 1v54 h TRP 16 N 0.48 0.00 -0.07 3.16 4.06 -1.04 -0.61 115.95 121.94 1v54 h TRP 16 Ca 0.07 0.00 -0.23 0.00 2.06 0.00 0.00 58.89 60.79 1v54 h TRP 16 Cb 0.74 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.91 1v54 h TRP 16 CO 0.06 0.35 -0.87 -0.09 -3.56 0.00 0.00 178.44 174.33 1v54 h ARG 17 N 0.00 0.61 -0.43 0.49 2.43 -1.10 -0.95 114.38 115.43 1v54 h ARG 17 Ca -0.00 -0.57 0.02 0.00 -0.81 0.00 0.00 59.98 58.62 1v54 h ARG 17 Cb 0.79 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.45 1v54 h ARG 17 CO 0.05 1.18 0.25 0.35 -1.51 0.00 0.00 179.97 180.29 1v54 h PHE 18 N 0.38 0.46 -0.25 2.20 -0.00 -0.73 -1.54 116.94 117.46 1v54 h PHE 18 Ca -0.07 0.02 -0.10 0.00 -0.00 0.00 0.00 57.97 57.81 1v54 h PHE 18 Cb 1.50 -0.15 -0.01 0.00 -0.00 0.00 0.00 35.95 37.29 1v54 h PHE 18 CO 0.08 0.26 -0.29 -0.07 -0.00 0.00 0.00 178.31 178.29 1v54 h LEU 19 N 0.50 0.51 0.03 0.59 3.38 -1.03 0.19 115.31 119.48 1v54 h LEU 19 Ca 0.18 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1v54 h LEU 19 Cb 0.03 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1v54 h LEU 19 CO -0.09 0.78 -0.01 0.74 0.09 0.00 0.00 178.44 179.95 1v54 h THR 20 N 0.44 1.09 0.00 0.22 2.02 -0.49 -0.50 112.91 115.69 1v54 h THR 20 Ca 0.06 -0.36 -0.09 0.00 0.77 0.00 0.00 66.41 66.79 1v54 h THR 20 Cb 0.72 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 1v54 h THR 20 CO 0.06 0.09 -0.98 -0.26 0.37 0.00 0.00 175.52 174.80 1v54 h PHE 21 N -0.19 0.00 0.00 3.16 0.05 -1.31 0.60 116.94 119.24 1v54 h PHE 21 Ca -0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1v54 h PHE 21 Cb 0.18 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.13 1v54 h PHE 21 CO -0.02 0.32 -1.47 0.41 -0.18 0.00 0.00 178.31 177.37 1v54 n GLY 22 N 1.27 -1.17 1.45 -1.45 0.00 0.65 -4.44 105.19 101.50 1v54 n GLY 22 Ca -0.03 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1v54 n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1v54 n LEU 23 N -2.26 0.39 0.49 0.99 7.94 -0.67 -4.79 117.00 119.09 1v54 n LEU 23 Ca -0.01 0.21 -0.19 0.00 -1.11 0.00 0.00 56.01 54.90 1v54 n LEU 23 Cb 0.52 -0.01 -0.09 0.00 0.53 0.00 0.00 43.42 44.37 1v54 n LEU 23 CO 0.43 -0.60 0.52 0.00 -1.11 0.00 0.00 177.39 176.63 1v54 h ALA 24 N 0.00 -1.31 -0.74 1.96 0.00 -1.13 -2.04 119.26 116.00 1v54 h ALA 24 Ca 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1v54 h ALA 24 Cb 0.18 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1v54 h ALA 24 CO 0.00 -1.21 0.35 -0.07 0.00 0.00 0.00 179.25 178.31 1v54 h LEU 25 N -1.29 0.97 -1.31 0.00 3.38 -1.12 -2.05 115.31 113.89 1v54 h LEU 25 Ca -0.13 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1v54 h LEU 25 Cb 0.96 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1v54 h LEU 25 CO 0.21 0.83 0.17 -0.65 0.09 0.00 0.00 178.44 179.09 1v54 h PRO 26 N 1.06 0.64 -0.64 1.13 0.11 -1.77 0.25 132.00 132.78 1v54 h PRO 26 Ca 0.26 -0.09 -0.06 0.00 0.11 0.00 0.00 66.00 66.22 1v54 h PRO 26 Cb 0.12 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.09 1v54 h PRO 26 CO -0.03 0.54 0.18 0.77 -0.21 0.00 0.00 178.00 179.25 1v54 h SER 27 N 0.64 0.95 -0.18 -2.05 0.02 -0.81 -1.06 113.55 111.05 1v54 h SER 27 Ca 0.15 -0.22 -0.09 0.00 -0.84 0.00 0.00 61.79 60.79 1v54 h SER 27 Cb 0.14 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1v54 h SER 27 CO -0.01 0.91 -0.19 0.58 -1.14 0.00 0.00 176.83 176.98 1v54 h VAL 28 N 0.93 1.26 -0.51 2.27 2.07 -0.81 -1.59 116.25 119.87 1v54 h VAL 28 Ca 0.20 -1.21 -0.10 0.00 0.82 0.00 0.00 66.70 66.41 1v54 h VAL 28 Cb 0.32 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1v54 h VAL 28 CO -0.00 0.40 -0.08 0.00 0.02 0.00 0.00 177.57 177.90 1v54 h ALA 29 N 1.25 0.89 -0.11 1.67 0.00 -0.44 -1.21 119.26 121.31 1v54 h ALA 29 Ca 0.09 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1v54 h ALA 29 Cb 0.63 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1v54 h ALA 29 CO 0.04 0.64 -0.04 -0.07 0.00 0.00 0.00 179.25 179.83 1v54 h LEU 30 N 0.84 0.23 -1.69 0.00 3.38 -1.00 -1.71 115.31 115.35 1v54 h LEU 30 Ca 0.14 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1v54 h LEU 30 Cb 0.61 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1v54 h LEU 30 CO 0.04 0.56 -0.18 0.00 0.09 0.00 0.00 178.44 178.94 1v54 h THR 32 N 0.00 1.46 0.21 0.00 2.02 -1.09 -0.45 112.91 115.06 1v54 h THR 32 Ca -0.00 -2.40 -0.01 0.00 0.77 0.00 0.00 66.41 64.77 1v54 h THR 32 Cb 0.38 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1v54 h THR 32 CO 0.02 0.70 -0.10 0.25 0.37 0.00 0.00 175.52 176.76 1v54 h LEU 33 N 0.12 -0.24 -0.28 2.58 7.12 -0.41 -1.38 115.31 122.81 1v54 h LEU 33 Ca -0.03 -0.28 0.06 0.00 0.13 0.00 0.00 57.88 57.76 1v54 h LEU 33 Cb 1.35 0.06 -0.05 0.00 -0.53 0.00 0.00 40.66 41.48 1v54 h LEU 33 CO 0.12 0.22 -0.07 -1.13 -0.13 0.00 0.00 178.44 177.44 1v54 h ASN 34 N -0.78 -0.27 -0.28 1.25 -0.73 -0.76 -2.91 115.58 111.09 1v54 h ASN 34 Ca -0.03 0.09 -0.02 0.00 1.87 0.00 0.00 56.30 58.21 1v54 h ASN 34 Cb 0.51 0.18 -0.01 0.00 0.27 0.00 0.00 38.32 39.27 1v54 h ASN 34 CO 0.05 -0.10 0.10 0.28 -0.37 0.00 0.00 177.43 177.39 1v54 h SER 35 N -0.00 0.39 -0.64 1.15 0.02 -1.11 -2.01 113.55 111.35 1v54 h SER 35 Ca 0.14 -0.18 -0.45 0.00 -0.84 0.00 0.00 61.79 60.46 1v54 h SER 35 Cb 0.21 -0.10 -0.12 0.00 0.14 0.00 0.00 62.40 62.53 1v54 h SER 35 CO -0.30 0.47 0.73 0.79 -1.14 0.00 0.00 176.83 177.39 1v54 n TRP 36 N -4.74 1.29 0.07 3.45 5.03 -0.52 -2.78 117.44 119.24 1v54 n TRP 36 Ca -0.02 -2.02 0.00 0.00 3.03 0.00 0.00 57.50 58.48 1v54 n TRP 36 Cb 0.15 -1.62 0.00 0.00 -1.03 0.00 0.00 31.31 28.81 1v54 n TRP 36 CO 0.00 0.00 0.00 -0.11 -0.03 0.00 0.00 177.69 177.55 1v54 n LEU 37 N 1.76 -1.05 -0.06 -0.99 7.94 -1.11 -4.87 117.00 118.62 1v54 n LEU 37 Ca 0.52 0.28 0.07 0.00 -1.11 0.00 0.00 56.01 55.76 1v54 n LEU 37 Cb 0.60 1.22 0.40 0.00 0.53 0.00 0.00 43.42 46.17 1v54 n LEU 37 CO 0.36 -0.34 0.76 1.41 -1.11 0.00 0.00 177.39 178.47 1v54 n HIS 38 N -2.84 0.03 0.00 1.96 8.25 -0.77 -4.71 115.22 117.14 1v54 n HIS 38 Ca 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1v54 n HIS 38 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1v54 n HIS 38 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1v54 n SER 39 N -0.60 0.00 -1.57 0.41 3.41 -1.12 -5.02 113.62 109.12 1v54 n SER 39 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1v54 n SER 39 Cb 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1v54 n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v54 n GLY 40 N 1.33 -4.84 3.65 5.00 0.00 -1.26 -4.81 105.19 104.27 1v54 n GLY 40 Ca 0.00 -0.44 -0.44 0.00 0.00 0.00 0.00 46.02 45.14 1v54 n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1v54 n HIS 41 N 0.96 2.39 -2.73 1.61 8.25 -1.26 -4.96 115.22 119.48 1v54 n HIS 41 Ca 0.00 -0.26 -0.40 0.00 -0.26 0.00 0.00 57.72 56.80 1v54 n HIS 41 Cb 0.00 -2.76 -0.06 0.00 1.12 0.00 0.00 29.99 28.29 1v54 n HIS 41 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1v54 s ARG 42 N 4.69 4.82 -0.16 -0.41 1.04 -1.26 -4.96 118.95 122.71 1v54 s ARG 42 Ca 0.92 1.50 -0.31 0.00 -1.04 0.00 0.00 55.73 56.80 1v54 s ARG 42 Cb -0.48 -3.24 -0.08 0.00 -2.04 0.00 0.00 34.95 29.11 1v54 s ARG 42 CO 0.43 0.48 2.10 -1.91 -0.04 0.00 0.00 175.30 176.36 1v54 n GLU 43 N 1.40 2.07 -1.70 3.89 0.00 -1.26 -4.91 120.64 120.14 1v54 n GLU 43 Ca -0.02 0.66 -0.44 0.00 0.00 0.00 0.00 57.16 57.37 1v54 n GLU 43 Cb 0.47 -2.96 -0.02 0.00 0.00 0.00 0.00 31.44 28.93 1v54 n GLU 43 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1v54 n ARG 44 N 8.00 2.29 -1.43 5.31 1.85 -1.26 -4.96 116.66 126.46 1v54 n ARG 44 Ca 0.28 0.82 -0.33 0.00 -1.00 0.00 0.00 57.85 57.62 1v54 n ARG 44 Cb 0.38 -2.53 0.08 0.00 -1.05 0.00 0.00 32.46 29.34 1v54 n ARG 44 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1v54 s PRO 45 N -0.23 2.27 0.48 2.89 0.04 -1.26 -4.97 135.00 134.22 1v54 s PRO 45 Ca 0.68 1.47 -0.24 0.00 0.04 0.00 0.00 61.00 62.95 1v54 s PRO 45 Cb -0.60 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 31.99 1v54 s PRO 45 CO 0.47 -1.67 1.35 0.00 0.04 0.00 0.00 177.00 177.19 1v54 n ALA 46 N -2.96 1.65 -2.56 8.56 0.00 -1.26 -4.94 120.51 119.00 1v54 n ALA 46 Ca 0.11 0.20 -0.41 0.00 0.00 0.00 0.00 53.44 53.34 1v54 n ALA 46 Cb 0.52 -2.34 -0.04 0.00 0.00 0.00 0.00 19.45 17.59 1v54 n ALA 46 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1v54 s PHE 47 N -1.24 3.70 -0.09 0.00 2.19 -1.26 -5.04 117.98 116.24 1v54 s PHE 47 Ca 0.65 1.65 -0.01 0.00 0.33 0.00 0.00 56.93 59.56 1v54 s PHE 47 Cb -0.45 -3.04 0.03 0.00 -1.31 0.00 0.00 43.02 38.25 1v54 s PHE 47 CO 0.55 0.09 -0.04 0.42 1.83 0.00 0.00 175.22 178.06 1v54 s ILE 48 N 0.62 0.71 -1.00 3.12 1.01 -1.26 -5.06 121.20 119.33 1v54 s ILE 48 Ca 0.48 -0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.96 1v54 s ILE 48 Cb -0.21 -0.78 -0.06 0.00 0.01 0.00 0.00 42.46 41.42 1v54 s ILE 48 CO 0.27 0.31 2.26 -0.81 0.00 0.00 0.00 174.94 176.96 1v54 n PRO 49 N 4.89 2.32 -1.79 2.79 -0.05 -1.26 -4.93 135.00 136.98 1v54 n PRO 49 Ca -0.12 -1.55 -0.41 0.00 -0.05 0.00 0.00 63.50 61.37 1v54 n PRO 49 Cb 0.50 -2.49 -0.00 0.00 -0.05 0.00 0.00 33.50 31.46 1v54 n PRO 49 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 175.50 176.16 1v54 s TYR 50 N 3.16 2.57 -0.75 0.54 2.02 -1.26 -4.90 117.35 118.73 1v54 s TYR 50 Ca 0.44 1.13 0.26 0.00 -0.37 0.00 0.00 57.07 58.53 1v54 s TYR 50 Cb 0.12 -4.04 0.90 0.00 -0.40 0.00 0.00 41.96 38.53 1v54 s TYR 50 CO -0.04 -3.09 1.78 0.72 -1.57 0.00 0.00 175.55 173.35 1v54 n HIS 51 N 0.56 0.74 1.18 2.71 8.25 -1.26 -3.16 115.22 124.25 1v54 n HIS 51 Ca 0.01 0.23 0.12 0.00 -0.26 0.00 0.00 57.72 57.83 1v54 n HIS 51 Cb 0.39 -0.87 0.36 0.00 1.12 0.00 0.00 29.99 30.99 1v54 n HIS 51 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1v54 n HIS 52 N -2.12 0.11 -4.60 4.41 1.44 -1.26 -4.87 115.22 108.34 1v54 n HIS 52 Ca 0.05 -0.06 -0.27 0.00 -2.01 0.00 0.00 57.72 55.43 1v54 n HIS 52 Cb 0.38 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.39 1v54 n HIS 52 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1v54 s LEU 53 N -1.83 2.59 -1.59 2.39 1.43 -1.19 -4.77 118.68 115.71 1v54 s LEU 53 Ca 0.34 -1.43 -0.10 0.00 -1.03 0.00 0.00 54.13 51.91 1v54 s LEU 53 Cb 0.20 -0.72 0.09 0.00 0.03 0.00 0.00 46.19 45.79 1v54 s LEU 53 CO 0.31 -0.57 0.56 0.54 0.23 0.00 0.00 176.35 177.42 1v54 n ARG 54 N -0.95 -2.85 -1.81 1.70 3.00 -1.26 -4.86 116.66 109.64 1v54 n ARG 54 Ca -0.07 0.34 -0.41 0.00 -0.01 0.00 0.00 57.85 57.71 1v54 n ARG 54 Cb 0.67 -4.71 -0.00 0.00 0.00 0.00 0.00 32.46 28.42 1v54 n ARG 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1v54 s ILE 55 N -3.65 2.07 -0.35 0.55 -1.09 -1.26 -4.73 121.20 112.73 1v54 s ILE 55 Ca 0.40 0.06 0.01 0.00 -2.23 0.00 0.00 60.65 58.90 1v54 s ILE 55 Cb -0.22 -3.04 0.14 0.00 -1.58 0.00 0.00 42.46 37.76 1v54 s ILE 55 CO 0.93 0.01 0.30 -0.13 -1.23 0.00 0.00 174.94 174.82 1v54 s ARG 56 N -1.87 0.54 -0.01 2.79 1.81 -1.26 -4.96 118.95 115.99 1v54 s ARG 56 Ca 0.54 -0.92 0.19 0.00 -1.72 0.00 0.00 55.73 53.82 1v54 s ARG 56 Cb -0.47 -0.93 -0.25 0.00 -0.45 0.00 0.00 34.95 32.85 1v54 s ARG 56 CO 0.61 -1.17 0.61 0.25 -0.68 0.00 0.00 175.30 174.92 1v54 n THR 57 N 4.36 0.00 -3.63 0.02 -2.24 -1.26 -4.95 114.28 106.57 1v54 n THR 57 Ca 0.09 -0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 1v54 n THR 57 Cb 0.42 0.53 -0.07 0.00 -2.10 0.00 0.00 70.33 69.12 1v54 n THR 57 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1v54 s LYS 58 N -3.05 0.80 0.53 -0.78 2.20 -1.26 -5.15 119.74 113.02 1v54 s LYS 58 Ca 0.00 1.04 -0.21 0.00 -0.36 0.00 0.00 55.97 56.44 1v54 s LYS 58 Cb 0.13 0.34 -0.05 0.00 -1.51 0.00 0.00 37.83 36.74 1v54 s LYS 58 CO 0.79 -0.11 1.22 -1.25 -0.36 0.00 0.00 175.35 175.64 1v54 s PRO 59 N 0.66 3.33 0.54 4.03 0.04 -1.26 -4.97 135.00 137.37 1v54 s PRO 59 Ca -0.02 1.90 -0.21 0.00 0.04 0.00 0.00 61.00 62.70 1v54 s PRO 59 Cb -0.05 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 1v54 s PRO 59 CO -0.04 -0.94 1.25 -0.06 0.04 0.00 0.00 177.00 177.25 1v54 s PHE 60 N -1.51 2.47 -0.43 0.56 0.40 -0.59 -4.90 117.98 113.98 1v54 s PHE 60 Ca 0.71 1.47 0.00 0.00 -0.60 0.00 0.00 56.93 58.51 1v54 s PHE 60 Cb -0.32 -3.57 0.00 0.00 0.51 0.00 0.00 43.02 39.64 1v54 s PHE 60 CO 0.37 -2.29 0.75 0.43 0.70 0.00 0.00 175.22 175.19 1v54 n SER 61 N -1.11 2.06 -3.96 1.36 7.64 -1.26 -4.05 113.62 114.30 1v54 n SER 61 Ca 0.11 -1.92 -0.10 0.00 1.01 0.00 0.00 58.87 57.98 1v54 n SER 61 Cb 0.48 -0.48 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1v54 n SER 61 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 1v54 s TRP 62 N -0.40 0.40 0.00 1.43 -2.14 -1.26 -5.05 118.94 111.92 1v54 s TRP 62 Ca 0.00 -0.77 0.00 0.00 2.66 0.00 0.00 56.10 57.99 1v54 s TRP 62 Cb 0.00 -0.06 0.00 0.00 -3.10 0.00 0.00 33.47 30.31 1v54 s TRP 62 CO 0.00 -0.72 0.00 0.41 -2.66 0.00 0.00 176.95 173.98 1v54 n GLY 63 N -0.22 2.93 1.07 3.67 0.00 -1.26 -1.22 105.19 110.16 1v54 n GLY 63 Ca -0.07 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.89 1v54 n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1v54 n ASP 64 N 2.31 3.11 0.00 1.61 5.75 -1.26 -4.91 116.55 123.16 1v54 n ASP 64 Ca 0.00 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 1v54 n ASP 64 Cb 0.00 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 1v54 n ASP 64 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1v54 n GLY 65 N 1.27 0.73 0.06 6.12 0.00 -0.36 -4.82 105.19 108.20 1v54 n GLY 65 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.22 1v54 n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1v54 n ASN 66 N -0.03 0.87 -4.56 1.61 5.15 -1.26 -1.55 115.26 115.50 1v54 n ASN 66 Ca 0.00 -0.94 -0.34 0.00 -0.60 0.00 0.00 54.58 52.70 1v54 n ASN 66 Cb 0.01 0.29 -0.11 0.00 -0.53 0.00 0.00 39.78 39.44 1v54 n ASN 66 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1v54 s HIS 67 N -0.47 3.03 0.89 1.20 3.76 -1.26 -4.87 115.29 117.57 1v54 s HIS 67 Ca 0.02 -0.11 -0.11 0.00 -0.15 0.00 0.00 55.06 54.71 1v54 s HIS 67 Cb 0.02 -1.86 0.13 0.00 1.11 0.00 0.00 32.58 31.98 1v54 s HIS 67 CO 0.04 0.17 1.09 0.95 -0.85 0.00 0.00 174.74 176.15 1v54 s THR 68 N -0.21 2.68 0.23 1.30 -4.23 -1.26 -4.92 115.64 109.22 1v54 s THR 68 Ca 0.04 0.22 -0.06 0.00 -1.18 0.00 0.00 61.69 60.70 1v54 s THR 68 Cb -0.13 -2.61 0.18 0.00 1.34 0.00 0.00 72.50 71.29 1v54 s THR 68 CO 0.02 -0.29 1.77 0.15 -0.54 0.00 0.00 174.62 175.74 1v54 h PHE 69 N -1.59 0.61 -1.34 3.99 3.04 -2.00 -2.54 116.94 117.11 1v54 h PHE 69 Ca -0.48 0.03 -0.62 0.00 3.98 0.00 0.00 57.97 60.88 1v54 h PHE 69 Cb 1.27 -0.17 -0.39 0.00 2.56 0.00 0.00 35.95 39.23 1v54 h PHE 69 CO 0.46 0.20 -0.31 1.19 -2.02 0.00 0.00 178.31 177.83 1v54 n PHE 70 N -4.89 3.15 -1.68 0.41 3.01 -1.26 -5.04 117.46 111.16 1v54 n PHE 70 Ca 0.11 -2.74 -0.46 0.00 1.01 0.00 0.00 57.45 55.38 1v54 n PHE 70 Cb 0.30 -0.46 -0.04 0.00 -0.01 0.00 0.00 39.48 39.26 1v54 n PHE 70 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1v54 n HIS 71 N -0.59 2.34 -4.02 1.38 -0.00 -0.96 -4.98 115.22 108.39 1v54 n HIS 71 Ca 0.45 0.18 -0.32 0.00 0.46 0.00 0.00 57.72 58.49 1v54 n HIS 71 Cb 0.67 -2.58 -0.15 0.00 -0.12 0.00 0.00 29.99 27.81 1v54 n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1v54 s ASN 72 N 1.51 4.62 0.35 0.26 3.84 -1.26 -5.01 114.94 119.26 1v54 s ASN 72 Ca 0.81 -1.55 0.11 0.00 0.21 0.00 0.00 52.86 52.44 1v54 s ASN 72 Cb -0.65 -1.61 0.89 0.00 -0.55 0.00 0.00 41.25 39.33 1v54 s ASN 72 CO 0.39 -0.25 1.81 -0.65 -2.79 0.00 0.00 177.10 175.61 1v54 h PRO 73 N 7.79 0.59 -0.60 0.43 0.11 -1.94 0.31 132.00 138.69 1v54 h PRO 73 Ca -0.16 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.88 1v54 h PRO 73 Cb 1.04 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.99 1v54 h PRO 73 CO 0.49 0.39 0.25 -0.09 -0.21 0.00 0.00 178.00 178.83 1v54 h ARG 74 N 0.61 0.88 0.00 1.05 1.12 -1.95 -3.37 114.38 112.72 1v54 h ARG 74 Ca 0.54 -0.13 0.00 0.00 -1.11 0.00 0.00 59.98 59.27 1v54 h ARG 74 Cb 1.04 -0.16 0.00 0.00 -0.01 0.00 0.00 29.97 30.84 1v54 h ARG 74 CO -0.29 0.71 -0.12 1.33 -3.11 0.00 0.00 179.97 178.50 1v54 n VAL 75 N -4.32 0.00 -3.71 0.20 0.24 -0.68 -4.90 118.33 105.15 1v54 n VAL 75 Ca 0.05 -0.36 -0.38 0.00 -2.04 0.00 0.00 64.34 61.61 1v54 n VAL 75 Cb 0.16 0.92 -0.11 0.00 -1.47 0.00 0.00 33.84 33.34 1v54 n VAL 75 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1v54 s ASN 76 N -0.95 5.38 0.54 -1.34 0.02 0.10 -5.03 114.94 113.66 1v54 s ASN 76 Ca 0.00 -1.52 -0.17 0.00 -1.02 0.00 0.00 52.86 50.15 1v54 s ASN 76 Cb 0.00 -1.89 -0.07 0.00 0.02 0.00 0.00 41.25 39.32 1v54 s ASN 76 CO 0.00 -0.46 1.01 -2.16 0.02 0.00 0.00 177.10 175.51 1v54 s PRO 77 N 1.33 3.72 0.81 -0.60 0.04 -1.26 -4.64 135.00 134.41 1v54 s PRO 77 Ca 0.02 1.09 -0.10 0.00 0.04 0.00 0.00 61.00 62.05 1v54 s PRO 77 Cb -0.22 -2.10 0.12 0.00 0.04 0.00 0.00 34.50 32.34 1v54 s PRO 77 CO 0.00 -0.47 1.15 -0.51 0.04 0.00 0.00 177.00 177.21 1v54 s LEU 78 N -4.12 2.73 0.61 -3.56 1.43 -0.30 -4.85 118.68 110.62 1v54 s LEU 78 Ca 0.62 0.38 0.30 0.00 -1.03 0.00 0.00 54.13 54.39 1v54 s LEU 78 Cb -0.13 -2.76 1.61 0.00 0.03 0.00 0.00 46.19 44.95 1v54 s LEU 78 CO 0.31 -2.06 1.99 -0.65 0.23 0.00 0.00 176.35 176.16 1v54 h PRO 79 N -1.03 0.00 -0.04 1.29 0.11 -1.89 -0.11 132.00 130.32 1v54 h PRO 79 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1v54 h PRO 79 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1v54 h PRO 79 CO 0.52 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.56 1v54 n THR 80 N -3.51 0.02 0.00 -1.15 -2.24 -1.26 -4.88 114.28 101.26 1v54 n THR 80 Ca 0.03 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1v54 n THR 80 Cb 0.46 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.95 1v54 n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v54 n GLY 81 N 1.32 1.52 3.72 3.38 0.00 -0.06 -5.07 105.19 109.99 1v54 n GLY 81 Ca 0.15 -2.23 -0.34 0.00 0.00 0.00 0.00 46.02 43.60 1v54 n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1v54 s TYR 82 N -1.36 1.99 0.59 1.61 2.02 -1.26 -1.15 117.35 119.79 1v54 s TYR 82 Ca 0.00 1.63 -0.07 0.00 -0.37 0.00 0.00 57.07 58.26 1v54 s TYR 82 Cb 0.00 -3.45 -0.00 0.00 -0.40 0.00 0.00 41.96 38.11 1v54 s TYR 82 CO 0.00 -2.64 0.92 -1.21 -1.57 0.00 0.00 175.55 171.05 1v54 s GLU 83 N -4.04 3.05 0.00 -0.62 2.02 -1.26 -4.85 118.70 112.99 1v54 s GLU 83 Ca 0.73 0.15 0.00 0.00 0.02 0.00 0.00 54.97 55.87 1v54 s GLU 83 Cb -0.28 -2.23 0.00 0.00 0.10 0.00 0.00 34.13 31.72 1v54 s GLU 83 CO 0.48 -0.67 0.46 1.63 0.02 0.00 0.00 175.26 177.18