#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v55 n SER 2 N 0.00 0.06 0.00 0.00 2.88 -1.26 -5.12 113.62 110.18 1v55 n SER 2 Ca 0.00 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.54 1v55 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1v55 n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1v55 n ALA 3 N -0.00 0.00 0.00 -1.46 0.00 -1.26 -4.49 120.51 113.30 1v55 n ALA 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1v55 n ALA 3 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1v55 n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v55 n ALA 4 N 1.64 0.00 -2.34 0.00 0.00 -1.26 -5.14 120.51 113.42 1v55 n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1v55 n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1v55 n ALA 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1v55 n LYS 5 N 0.00 0.00 0.03 0.00 5.02 -1.26 -5.15 118.16 116.79 1v55 n LYS 5 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1v55 n LYS 5 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1v55 n LYS 5 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1v55 n GLY 6 N 5.00 -1.89 0.00 0.72 0.00 -1.26 -5.12 105.19 102.64 1v55 n GLY 6 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1v55 n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1v55 n ASP 7 N -2.29 0.00 0.00 1.61 -0.08 -1.26 -4.73 116.55 109.80 1v55 n ASP 7 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1v55 n ASP 7 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1v55 n ASP 7 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1v55 n HIS 8 N 0.00 0.00 0.46 -0.67 8.25 -1.26 -4.54 115.22 117.47 1v55 n HIS 8 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.52 1v55 n HIS 8 Cb 0.00 -0.43 0.27 0.00 1.12 0.00 0.00 29.99 30.94 1v55 n HIS 8 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1v55 n GLY 9 N -0.46 -0.79 0.00 -1.41 0.00 -1.26 -5.14 105.19 96.13 1v55 n GLY 9 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1v55 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v55 n GLY 10 N -0.32 -1.64 0.00 -0.02 0.00 -1.26 -5.31 105.19 96.64 1v55 n GLY 10 Ca 0.04 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1v55 n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v55 n GLY 12 N -0.22 -0.58 0.36 -0.02 0.00 -1.26 -4.90 105.19 98.56 1v55 n GLY 12 Ca 0.00 -1.45 -0.01 0.00 0.00 0.00 0.00 46.02 44.57 1v55 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v55 h ALA 13 N 0.00 1.39 -0.66 4.61 0.00 -2.05 -2.14 119.26 120.40 1v55 h ALA 13 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1v55 h ALA 13 Cb 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1v55 h ALA 13 CO 0.00 0.56 0.24 -0.09 0.00 0.00 0.00 179.25 179.96 1v55 h ARG 14 N 1.13 1.00 -0.43 0.00 2.43 -1.99 -0.74 114.38 115.78 1v55 h ARG 14 Ca 0.30 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1v55 h ARG 14 Cb -0.11 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.26 1v55 h ARG 14 CO -0.06 0.85 0.15 1.15 -1.51 0.00 0.00 179.97 180.54 1v55 h THR 15 N 0.94 1.21 0.00 0.20 2.02 -1.81 -1.25 112.91 114.23 1v55 h THR 15 Ca 0.22 -0.70 -0.07 0.00 0.77 0.00 0.00 66.41 66.63 1v55 h THR 15 Cb 0.24 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1v55 h THR 15 CO -0.01 0.25 -0.34 -0.50 0.37 0.00 0.00 175.52 175.29 1v55 h TRP 16 N 0.55 0.00 -0.04 3.16 4.06 -1.13 -1.29 115.95 121.27 1v55 h TRP 16 Ca 0.14 0.00 -0.23 0.00 2.06 0.00 0.00 58.89 60.86 1v55 h TRP 16 Cb 0.24 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.41 1v55 h TRP 16 CO 0.01 0.34 -0.91 -0.09 -3.56 0.00 0.00 178.44 174.22 1v55 h ARG 17 N 0.00 0.57 -0.48 0.49 2.43 -0.99 -1.47 114.38 114.93 1v55 h ARG 17 Ca -0.00 -0.56 0.02 0.00 -0.81 0.00 0.00 59.98 58.62 1v55 h ARG 17 Cb 0.79 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.46 1v55 h ARG 17 CO 0.04 1.18 0.29 0.35 -1.51 0.00 0.00 179.97 180.33 1v55 h PHE 18 N 0.34 0.55 -0.41 2.20 -0.00 -0.82 -1.23 116.94 117.58 1v55 h PHE 18 Ca -0.08 0.02 -0.10 0.00 -0.00 0.00 0.00 57.97 57.80 1v55 h PHE 18 Cb 1.55 -0.18 -0.02 0.00 -0.00 0.00 0.00 35.95 37.30 1v55 h PHE 18 CO 0.08 0.32 -0.15 -0.07 -0.00 0.00 0.00 178.31 178.49 1v55 h LEU 19 N 0.59 0.74 0.22 0.59 3.38 -1.20 0.36 115.31 119.99 1v55 h LEU 19 Ca 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1v55 h LEU 19 Cb -0.00 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1v55 h LEU 19 CO -0.08 0.90 -0.10 0.74 0.09 0.00 0.00 178.44 179.99 1v55 h THR 20 N 0.67 0.83 0.00 0.22 2.02 -0.68 -0.43 112.91 115.54 1v55 h THR 20 Ca 0.11 -0.23 -0.13 0.00 0.77 0.00 0.00 66.41 66.93 1v55 h THR 20 Cb 0.63 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 1v55 h THR 20 CO 0.04 0.05 -0.84 -0.26 0.37 0.00 0.00 175.52 174.89 1v55 h PHE 21 N -0.41 0.00 0.00 3.16 0.05 -1.25 0.63 116.94 119.13 1v55 h PHE 21 Ca -0.03 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.73 1v55 h PHE 21 Cb 0.31 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.26 1v55 h PHE 21 CO -0.03 0.53 -1.40 0.41 -0.18 0.00 0.00 178.31 177.64 1v55 n GLY 22 N 1.28 -1.28 1.43 -1.45 0.00 0.13 -4.41 105.19 100.89 1v55 n GLY 22 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1v55 n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1v55 n LEU 23 N -2.57 0.43 0.25 0.99 7.94 -0.61 -4.78 117.00 118.66 1v55 n LEU 23 Ca -0.03 0.21 -0.13 0.00 -1.11 0.00 0.00 56.01 54.95 1v55 n LEU 23 Cb 0.60 -0.02 -0.07 0.00 0.53 0.00 0.00 43.42 44.47 1v55 n LEU 23 CO 0.42 -0.62 0.52 0.00 -1.11 0.00 0.00 177.39 176.60 1v55 h ALA 24 N 0.00 -1.10 -0.81 1.96 0.00 -1.12 -1.34 119.26 116.85 1v55 h ALA 24 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1v55 h ALA 24 Cb 0.16 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1v55 h ALA 24 CO 0.00 -1.09 0.41 -0.07 0.00 0.00 0.00 179.25 178.51 1v55 h LEU 25 N -0.75 1.03 -1.21 0.00 3.38 -1.11 -1.98 115.31 114.68 1v55 h LEU 25 Ca -0.06 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1v55 h LEU 25 Cb 0.62 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1v55 h LEU 25 CO 0.02 0.85 0.19 -0.65 0.09 0.00 0.00 178.44 178.94 1v55 h PRO 26 N 1.14 0.74 -0.79 1.13 0.11 -1.75 0.10 132.00 132.68 1v55 h PRO 26 Ca 0.28 -0.11 -0.05 0.00 0.11 0.00 0.00 66.00 66.23 1v55 h PRO 26 Cb 0.07 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.02 1v55 h PRO 26 CO -0.04 0.62 0.31 0.77 -0.21 0.00 0.00 178.00 179.45 1v55 h SER 27 N 0.73 1.09 -0.34 -2.05 0.02 -0.66 -0.96 113.55 111.38 1v55 h SER 27 Ca 0.17 -0.18 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1v55 h SER 27 Cb 0.17 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1v55 h SER 27 CO -0.01 0.97 -0.13 0.58 -1.14 0.00 0.00 176.83 177.10 1v55 h VAL 28 N 1.15 1.26 -0.46 2.27 2.07 -0.75 -1.82 116.25 119.96 1v55 h VAL 28 Ca 0.26 -1.20 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 1v55 h VAL 28 Cb 0.23 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1v55 h VAL 28 CO -0.02 0.41 0.07 0.00 0.02 0.00 0.00 177.57 178.05 1v55 h ALA 29 N 1.14 0.61 -0.26 1.67 0.00 -0.47 -1.03 119.26 120.93 1v55 h ALA 29 Ca 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1v55 h ALA 29 Cb 0.62 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1v55 h ALA 29 CO 0.04 0.34 0.11 -0.07 0.00 0.00 0.00 179.25 179.67 1v55 h LEU 30 N 0.63 0.36 -1.42 0.00 3.38 -1.04 -1.05 115.31 116.17 1v55 h LEU 30 Ca 0.14 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1v55 h LEU 30 Cb 0.39 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1v55 h LEU 30 CO 0.01 0.42 -0.29 0.00 0.09 0.00 0.00 178.44 178.66 1v55 h THR 32 N 0.00 1.42 0.35 0.00 2.02 -0.89 -0.68 112.91 115.13 1v55 h THR 32 Ca -0.00 -2.17 -0.02 0.00 0.77 0.00 0.00 66.41 64.99 1v55 h THR 32 Cb 0.55 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 1v55 h THR 32 CO 0.04 0.64 -0.17 0.25 0.37 0.00 0.00 175.52 176.64 1v55 h LEU 33 N 0.16 -0.40 -0.84 2.58 7.12 -0.53 -1.81 115.31 121.59 1v55 h LEU 33 Ca -0.02 -0.15 0.10 0.00 0.13 0.00 0.00 57.88 57.94 1v55 h LEU 33 Cb 1.22 0.10 -0.08 0.00 -0.53 0.00 0.00 40.66 41.38 1v55 h LEU 33 CO 0.11 0.02 0.48 -1.13 -0.13 0.00 0.00 178.44 177.78 1v55 h ASN 34 N -0.92 0.67 -0.16 1.25 -0.73 -0.93 -2.78 115.58 111.98 1v55 h ASN 34 Ca -0.05 0.05 -0.08 0.00 1.87 0.00 0.00 56.30 58.09 1v55 h ASN 34 Cb 0.53 -0.07 -0.00 0.00 0.27 0.00 0.00 38.32 39.04 1v55 h ASN 34 CO 0.08 0.37 -0.21 0.28 -0.37 0.00 0.00 177.43 177.58 1v55 h SER 35 N 0.78 0.47 -0.64 1.15 0.02 -1.15 -2.23 113.55 111.95 1v55 h SER 35 Ca 0.41 -0.51 -0.43 0.00 -0.84 0.00 0.00 61.79 60.42 1v55 h SER 35 Cb 0.40 -0.13 -0.12 0.00 0.14 0.00 0.00 62.40 62.69 1v55 h SER 35 CO -0.26 0.88 0.56 0.79 -1.14 0.00 0.00 176.83 177.66 1v55 n TRP 36 N -4.47 1.20 0.00 3.45 5.03 -0.68 -2.37 117.44 119.61 1v55 n TRP 36 Ca -0.06 -1.95 0.00 0.00 3.03 0.00 0.00 57.50 58.52 1v55 n TRP 36 Cb 0.41 -1.58 0.00 0.00 -1.03 0.00 0.00 31.31 29.12 1v55 n TRP 36 CO 0.00 0.00 0.00 -0.11 -0.03 0.00 0.00 177.69 177.55 1v55 n LEU 37 N 1.70 0.00 -0.07 -0.99 7.94 -1.20 -4.87 117.00 119.50 1v55 n LEU 37 Ca 0.50 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.54 1v55 n LEU 37 Cb 0.63 0.36 0.80 0.00 0.53 0.00 0.00 43.42 45.73 1v55 n LEU 37 CO 0.33 -0.47 1.02 1.41 -1.11 0.00 0.00 177.39 178.57 1v55 n HIS 38 N -2.44 0.01 0.00 1.96 8.25 -0.84 -4.70 115.22 117.45 1v55 n HIS 38 Ca 0.00 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1v55 n HIS 38 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1v55 n HIS 38 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1v55 n SER 39 N -0.78 0.00 -1.76 0.41 3.41 -1.00 -5.02 113.62 108.89 1v55 n SER 39 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1v55 n SER 39 Cb 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1v55 n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v55 n GLY 40 N 1.76 -4.99 3.65 5.00 0.00 -1.26 -4.83 105.19 104.52 1v55 n GLY 40 Ca 0.00 -0.29 -0.54 0.00 0.00 0.00 0.00 46.02 45.19 1v55 n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1v55 n HIS 41 N 1.41 1.82 -2.93 1.61 8.25 -1.26 -4.96 115.22 119.17 1v55 n HIS 41 Ca 0.00 0.56 -0.39 0.00 -0.26 0.00 0.00 57.72 57.63 1v55 n HIS 41 Cb 0.00 -2.41 -0.06 0.00 1.12 0.00 0.00 29.99 28.64 1v55 n HIS 41 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1v55 s ARG 42 N 2.12 4.57 -0.19 -0.41 1.04 -1.26 -4.99 118.95 119.83 1v55 s ARG 42 Ca 0.91 1.19 -0.29 0.00 -1.04 0.00 0.00 55.73 56.51 1v55 s ARG 42 Cb -1.00 -3.12 -0.05 0.00 -2.04 0.00 0.00 34.95 28.74 1v55 s ARG 42 CO 0.56 0.48 1.96 -2.00 -0.04 0.00 0.00 175.30 176.26 1v55 s GLU 43 N -1.45 3.51 0.27 3.89 -6.30 -1.26 -4.92 118.70 112.44 1v55 s GLU 43 Ca 0.40 1.95 -0.30 0.00 -2.50 0.00 0.00 54.97 54.52 1v55 s GLU 43 Cb -0.22 -4.22 -0.13 0.00 0.00 0.00 0.00 34.13 29.56 1v55 s GLU 43 CO 0.26 -1.66 1.44 2.89 0.02 0.00 0.00 175.26 178.21 1v55 n ARG 44 N 8.21 2.22 -1.40 4.30 1.85 -1.26 -4.97 116.66 125.62 1v55 n ARG 44 Ca 0.24 0.79 -0.32 0.00 -1.00 0.00 0.00 57.85 57.56 1v55 n ARG 44 Cb 0.45 -2.47 0.08 0.00 -1.05 0.00 0.00 32.46 29.47 1v55 n ARG 44 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1v55 s PRO 45 N -0.63 2.34 0.58 2.89 0.04 -1.26 -4.98 135.00 133.98 1v55 s PRO 45 Ca 0.65 1.31 -0.20 0.00 0.04 0.00 0.00 61.00 62.80 1v55 s PRO 45 Cb -0.60 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 1v55 s PRO 45 CO 0.51 -1.60 1.25 0.00 0.04 0.00 0.00 177.00 177.21 1v55 n ALA 46 N -3.16 1.15 -2.61 8.56 0.00 -1.26 -4.94 120.51 118.26 1v55 n ALA 46 Ca 0.10 0.08 -0.41 0.00 0.00 0.00 0.00 53.44 53.21 1v55 n ALA 46 Cb 0.52 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.64 1v55 n ALA 46 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1v55 s PHE 47 N -1.35 3.66 -0.09 0.00 2.19 -1.26 -5.04 117.98 116.09 1v55 s PHE 47 Ca 0.75 1.51 -0.01 0.00 0.33 0.00 0.00 56.93 59.51 1v55 s PHE 47 Cb -0.41 -2.94 0.03 0.00 -1.31 0.00 0.00 43.02 38.38 1v55 s PHE 47 CO 0.47 0.10 -0.03 0.42 1.83 0.00 0.00 175.22 178.01 1v55 s ILE 48 N 0.62 0.61 -0.95 3.12 1.01 -1.26 -5.05 121.20 119.30 1v55 s ILE 48 Ca 0.44 -0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.99 1v55 s ILE 48 Cb -0.20 -0.72 -0.05 0.00 0.01 0.00 0.00 42.46 41.50 1v55 s ILE 48 CO 0.24 0.30 2.15 -0.81 0.00 0.00 0.00 174.94 176.81 1v55 n PRO 49 N 5.04 2.16 -1.81 2.79 -0.04 -1.26 -4.93 135.00 136.95 1v55 n PRO 49 Ca -0.09 -1.50 -0.41 0.00 -0.04 0.00 0.00 63.50 61.45 1v55 n PRO 49 Cb 0.50 -2.48 -0.00 0.00 -0.04 0.00 0.00 33.50 31.48 1v55 n PRO 49 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1v55 s TYR 50 N 3.37 2.60 -0.66 0.54 2.02 -1.26 -4.92 117.35 119.04 1v55 s TYR 50 Ca 0.41 1.17 0.26 0.00 -0.37 0.00 0.00 57.07 58.54 1v55 s TYR 50 Cb 0.11 -4.02 0.80 0.00 -0.40 0.00 0.00 41.96 38.45 1v55 s TYR 50 CO -0.03 -2.97 1.76 0.45 -1.57 0.00 0.00 175.55 173.18 1v55 h HIS 51 N 3.02 0.00 -0.13 2.71 3.86 -2.00 -3.12 115.15 119.49 1v55 h HIS 51 Ca -0.51 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.70 1v55 h HIS 51 Cb 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 1v55 h HIS 51 CO 0.53 0.00 0.00 -2.39 0.86 0.00 0.00 177.93 176.93 1v55 n HIS 52 N -2.35 0.15 -4.51 2.45 1.44 -1.26 -4.84 115.22 106.29 1v55 n HIS 52 Ca 0.05 -0.08 -0.24 0.00 -2.01 0.00 0.00 57.72 55.44 1v55 n HIS 52 Cb 0.41 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.42 1v55 n HIS 52 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1v55 s LEU 53 N -1.73 2.50 -1.58 2.39 1.43 -1.18 -4.76 118.68 115.75 1v55 s LEU 53 Ca 0.34 -1.33 -0.12 0.00 -1.03 0.00 0.00 54.13 51.99 1v55 s LEU 53 Cb 0.19 -0.64 0.10 0.00 0.03 0.00 0.00 46.19 45.87 1v55 s LEU 53 CO 0.29 -0.49 0.75 0.54 0.23 0.00 0.00 176.35 177.67 1v55 n ARG 54 N -0.77 -3.83 -1.83 1.70 3.00 -1.26 -4.87 116.66 108.80 1v55 n ARG 54 Ca -0.04 0.44 -0.41 0.00 -0.01 0.00 0.00 57.85 57.83 1v55 n ARG 54 Cb 0.66 -5.06 -0.01 0.00 0.00 0.00 0.00 32.46 28.05 1v55 n ARG 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1v55 s ILE 55 N -3.46 2.14 -0.35 0.55 -1.09 -1.26 -4.72 121.20 113.00 1v55 s ILE 55 Ca 0.52 0.13 0.01 0.00 -2.23 0.00 0.00 60.65 59.08 1v55 s ILE 55 Cb -0.28 -3.08 0.14 0.00 -1.58 0.00 0.00 42.46 37.66 1v55 s ILE 55 CO 0.89 0.03 0.27 -0.13 -1.23 0.00 0.00 174.94 174.77 1v55 s ARG 56 N -1.25 0.55 -0.02 2.79 1.81 -1.26 -4.96 118.95 116.61 1v55 s ARG 56 Ca 0.58 -1.05 0.21 0.00 -1.72 0.00 0.00 55.73 53.75 1v55 s ARG 56 Cb -0.46 -1.04 -0.29 0.00 -0.45 0.00 0.00 34.95 32.70 1v55 s ARG 56 CO 0.54 -1.19 0.63 0.25 -0.68 0.00 0.00 175.30 174.86 1v55 n THR 57 N 4.25 0.00 -3.63 0.02 -2.24 -1.26 -4.95 114.28 106.47 1v55 n THR 57 Ca 0.10 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.45 1v55 n THR 57 Cb 0.41 0.38 -0.07 0.00 -2.10 0.00 0.00 70.33 68.95 1v55 n THR 57 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1v55 s LYS 58 N -3.30 0.80 0.55 -0.78 2.20 -1.26 -5.15 119.74 112.80 1v55 s LYS 58 Ca -0.02 1.07 -0.21 0.00 -0.36 0.00 0.00 55.97 56.46 1v55 s LYS 58 Cb 0.15 0.33 -0.05 0.00 -1.51 0.00 0.00 37.83 36.75 1v55 s LYS 58 CO 0.88 -0.12 1.27 -1.25 -0.36 0.00 0.00 175.35 175.78 1v55 s PRO 59 N 0.77 3.14 0.43 4.03 0.04 -1.26 -4.95 135.00 137.20 1v55 s PRO 59 Ca -0.03 2.01 -0.25 0.00 0.04 0.00 0.00 61.00 62.77 1v55 s PRO 59 Cb -0.05 -2.14 -0.08 0.00 0.04 0.00 0.00 34.50 32.27 1v55 s PRO 59 CO -0.06 -1.12 1.27 -0.06 0.04 0.00 0.00 177.00 177.08 1v55 s PHE 60 N -1.44 2.78 0.00 0.56 0.40 -0.13 -4.89 117.98 115.27 1v55 s PHE 60 Ca 0.73 1.44 0.00 0.00 -0.60 0.00 0.00 56.93 58.50 1v55 s PHE 60 Cb -0.35 -3.61 0.00 0.00 0.51 0.00 0.00 43.02 39.57 1v55 s PHE 60 CO 0.40 -2.02 0.85 0.43 0.70 0.00 0.00 175.22 175.58 1v55 n SER 61 N -0.13 2.52 -3.86 1.36 7.64 -1.26 -3.98 113.62 115.92 1v55 n SER 61 Ca 0.05 -1.64 -0.09 0.00 1.01 0.00 0.00 58.87 58.20 1v55 n SER 61 Cb 0.45 -0.43 -0.05 0.00 -1.01 0.00 0.00 64.21 63.17 1v55 n SER 61 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 1v55 s TRP 62 N 0.21 0.11 0.00 1.43 -2.14 -1.26 -5.05 118.94 112.23 1v55 s TRP 62 Ca 0.00 -0.47 0.00 0.00 2.66 0.00 0.00 56.10 58.29 1v55 s TRP 62 Cb 0.00 0.26 0.00 0.00 -3.10 0.00 0.00 33.47 30.63 1v55 s TRP 62 CO 0.00 -0.91 0.00 0.41 -2.66 0.00 0.00 176.95 173.79 1v55 n GLY 63 N -0.33 2.79 0.93 3.67 0.00 -1.26 -1.10 105.19 109.90 1v55 n GLY 63 Ca -0.07 -0.19 0.09 0.00 0.00 0.00 0.00 46.02 45.85 1v55 n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1v55 n ASP 64 N 1.73 2.72 0.00 1.61 5.75 -1.26 -4.91 116.55 122.20 1v55 n ASP 64 Ca 0.00 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 1v55 n ASP 64 Cb 0.00 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 1v55 n ASP 64 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1v55 n GLY 65 N 1.33 1.38 0.15 6.12 0.00 -0.26 -4.82 105.19 109.09 1v55 n GLY 65 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 1v55 n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1v55 n ASN 66 N 0.00 1.18 -4.51 1.61 5.15 -1.26 -0.95 115.26 116.48 1v55 n ASN 66 Ca 0.00 -1.09 -0.34 0.00 -0.60 0.00 0.00 54.58 52.55 1v55 n ASN 66 Cb 0.00 0.16 -0.12 0.00 -0.53 0.00 0.00 39.78 39.29 1v55 n ASN 66 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1v55 s HIS 67 N -0.54 3.01 0.92 1.20 3.76 -1.26 -4.86 115.29 117.51 1v55 s HIS 67 Ca 0.05 -0.27 -0.11 0.00 -0.15 0.00 0.00 55.06 54.58 1v55 s HIS 67 Cb 0.04 -1.92 0.14 0.00 1.11 0.00 0.00 32.58 31.95 1v55 s HIS 67 CO 0.07 0.01 1.09 0.95 -0.85 0.00 0.00 174.74 176.02 1v55 s THR 68 N 0.18 2.55 0.22 1.30 -4.23 -1.26 -4.92 115.64 109.48 1v55 s THR 68 Ca -0.02 0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 60.58 1v55 s THR 68 Cb -0.14 -2.49 0.17 0.00 1.34 0.00 0.00 72.50 71.38 1v55 s THR 68 CO 0.03 -0.23 1.73 0.15 -0.54 0.00 0.00 174.62 175.75 1v55 h PHE 69 N -1.71 0.36 -1.25 3.99 3.04 -2.00 -2.59 116.94 116.78 1v55 h PHE 69 Ca -0.49 0.03 -0.62 0.00 3.98 0.00 0.00 57.97 60.87 1v55 h PHE 69 Cb 1.28 -0.06 -0.37 0.00 2.56 0.00 0.00 35.95 39.35 1v55 h PHE 69 CO 0.45 0.05 -0.17 1.19 -2.02 0.00 0.00 178.31 177.81 1v55 n PHE 70 N -5.04 3.09 -1.68 0.41 3.01 -1.26 -5.05 117.46 110.94 1v55 n PHE 70 Ca 0.10 -2.67 -0.45 0.00 1.01 0.00 0.00 57.45 55.44 1v55 n PHE 70 Cb 0.32 -0.60 -0.04 0.00 -0.01 0.00 0.00 39.48 39.15 1v55 n PHE 70 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1v55 n HIS 71 N -0.65 2.42 -3.97 1.38 -0.00 -0.98 -4.98 115.22 108.44 1v55 n HIS 71 Ca 0.47 0.15 -0.33 0.00 0.46 0.00 0.00 57.72 58.48 1v55 n HIS 71 Cb 0.69 -2.60 -0.14 0.00 -0.12 0.00 0.00 29.99 27.82 1v55 n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1v55 s ASN 72 N 1.44 4.78 0.43 0.26 3.84 -1.26 -5.00 114.94 119.43 1v55 s ASN 72 Ca 0.80 -1.72 0.21 0.00 0.21 0.00 0.00 52.86 52.36 1v55 s ASN 72 Cb -0.62 -1.66 1.18 0.00 -0.55 0.00 0.00 41.25 39.60 1v55 s ASN 72 CO 0.38 -0.32 1.79 -0.65 -2.79 0.00 0.00 177.10 175.50 1v55 h PRO 73 N 7.81 0.31 -0.65 0.43 0.11 -1.94 0.25 132.00 138.33 1v55 h PRO 73 Ca -0.14 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.90 1v55 h PRO 73 Cb 1.04 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 1v55 h PRO 73 CO 0.53 0.21 0.19 -0.09 -0.21 0.00 0.00 178.00 178.63 1v55 h ARG 74 N 0.32 1.02 0.00 1.05 1.12 -1.96 -3.37 114.38 112.57 1v55 h ARG 74 Ca 0.57 -0.23 0.00 0.00 -1.11 0.00 0.00 59.98 59.21 1v55 h ARG 74 Cb 1.59 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 31.41 1v55 h ARG 74 CO -0.23 0.91 -0.35 1.33 -3.11 0.00 0.00 179.97 178.51 1v55 n VAL 75 N -4.33 0.00 -3.55 0.20 0.24 -0.62 -4.92 118.33 105.35 1v55 n VAL 75 Ca 0.04 -0.33 -0.41 0.00 -2.04 0.00 0.00 64.34 61.60 1v55 n VAL 75 Cb 0.23 0.83 -0.09 0.00 -1.47 0.00 0.00 33.84 33.34 1v55 n VAL 75 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1v55 s ASN 76 N -1.39 5.73 0.55 -1.34 0.02 0.78 -5.04 114.94 114.26 1v55 s ASN 76 Ca 0.00 -1.63 -0.15 0.00 -1.02 0.00 0.00 52.86 50.06 1v55 s ASN 76 Cb 0.00 -2.02 -0.06 0.00 0.02 0.00 0.00 41.25 39.19 1v55 s ASN 76 CO 0.03 -0.61 1.01 -2.16 0.02 0.00 0.00 177.10 175.38 1v55 s PRO 77 N 1.43 3.73 0.75 -0.60 0.04 -1.26 -4.63 135.00 134.46 1v55 s PRO 77 Ca 0.04 0.97 -0.08 0.00 0.04 0.00 0.00 61.00 61.97 1v55 s PRO 77 Cb -0.24 -2.10 0.09 0.00 0.04 0.00 0.00 34.50 32.28 1v55 s PRO 77 CO 0.02 -0.46 1.06 -0.51 0.04 0.00 0.00 177.00 177.15 1v55 s LEU 78 N -4.40 2.79 0.59 -3.56 1.43 -0.56 -4.86 118.68 110.10 1v55 s LEU 78 Ca 0.59 0.39 0.29 0.00 -1.03 0.00 0.00 54.13 54.37 1v55 s LEU 78 Cb -0.11 -2.92 1.47 0.00 0.03 0.00 0.00 46.19 44.65 1v55 s LEU 78 CO 0.37 -1.79 1.88 -0.65 0.23 0.00 0.00 176.35 176.40 1v55 h PRO 79 N -0.76 0.00 -0.26 1.29 0.11 -1.89 0.89 132.00 131.39 1v55 h PRO 79 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1v55 h PRO 79 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1v55 h PRO 79 CO 0.56 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.60 1v55 n THR 80 N -3.74 0.33 0.00 -1.15 -2.24 -1.26 -4.88 114.28 101.34 1v55 n THR 80 Ca 0.09 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1v55 n THR 80 Cb 0.70 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 1v55 n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v55 n GLY 81 N 1.37 1.28 3.72 3.38 0.00 0.31 -5.06 105.19 110.18 1v55 n GLY 81 Ca 0.18 -2.23 -0.35 0.00 0.00 0.00 0.00 46.02 43.61 1v55 n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1v55 s TYR 82 N -1.32 2.01 0.75 1.61 2.02 -1.26 -1.50 117.35 119.66 1v55 s TYR 82 Ca 0.00 1.58 -0.09 0.00 -0.37 0.00 0.00 57.07 58.19 1v55 s TYR 82 Cb 0.00 -3.54 0.07 0.00 -0.40 0.00 0.00 41.96 38.09 1v55 s TYR 82 CO 0.00 -2.75 1.09 -1.21 -1.57 0.00 0.00 175.55 171.12 1v55 s GLU 83 N -3.78 2.08 0.00 -0.62 2.02 -1.26 -4.88 118.70 112.25 1v55 s GLU 83 Ca 0.77 -0.09 0.06 0.00 0.02 0.00 0.00 54.97 55.72 1v55 s GLU 83 Cb -0.32 -2.07 0.34 0.00 0.10 0.00 0.00 34.13 32.18 1v55 s GLU 83 CO 0.44 -1.41 0.80 1.63 0.02 0.00 0.00 175.26 176.75