#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gzi n LYS 4 N 0.00 0.00 -0.08 3.23 2.85 -1.26 -4.74 118.16 118.16 2gzi n LYS 4 Ca 0.00 -0.10 -0.11 0.00 -1.05 0.00 0.00 58.31 57.05 2gzi n LYS 4 Cb 0.00 -0.07 -0.15 0.00 -0.65 0.00 0.00 35.03 34.16 2gzi n LYS 4 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2gzi n HIS 5 N 0.00 0.29 -3.99 5.58 8.25 -1.26 -5.02 115.22 119.08 2gzi n HIS 5 Ca 0.00 0.09 -0.10 0.00 -0.26 0.00 0.00 57.72 57.46 2gzi n HIS 5 Cb 0.51 -1.05 -0.07 0.00 1.12 0.00 0.00 29.99 30.50 2gzi n HIS 5 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2gzi s SER 6 N -5.86 0.00 0.48 0.41 1.04 -1.26 -4.98 113.70 103.54 2gzi s SER 6 Ca -0.13 -0.93 0.20 0.00 0.48 0.00 0.00 55.95 55.57 2gzi s SER 6 Cb 0.07 0.48 1.20 0.00 0.10 0.00 0.00 66.02 67.87 2gzi s SER 6 CO 0.79 -0.96 2.03 -0.29 0.98 0.00 0.00 173.24 175.79 2gzi h ILE 7 N 2.46 0.89 0.00 -1.02 2.10 -1.92 -1.48 117.51 118.54 2gzi h ILE 7 Ca -0.30 -0.59 0.00 0.00 1.08 0.00 0.00 64.86 65.04 2gzi h ILE 7 Cb 1.24 1.34 0.00 0.00 -1.09 0.00 0.00 36.82 38.31 2gzi h ILE 7 CO 0.45 0.16 0.00 -1.20 -1.08 0.00 0.00 178.15 176.47 2gzi n SER 8 N -4.03 0.64 0.00 2.19 7.64 -1.24 -1.10 113.62 117.72 2gzi n SER 8 Ca -0.02 0.70 0.14 0.00 1.01 0.00 0.00 58.87 60.70 2gzi n SER 8 Cb 0.24 -0.82 0.67 0.00 -1.01 0.00 0.00 64.21 63.29 2gzi n SER 8 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2gzi n ASP 9 N -2.25 0.00 -4.59 6.43 10.43 -0.56 -3.22 116.55 122.79 2gzi n ASP 9 Ca 0.01 0.15 -0.34 0.00 2.57 0.00 0.00 54.79 57.18 2gzi n ASP 9 Cb 0.16 -0.38 -0.11 0.00 1.84 0.00 0.00 41.12 42.63 2gzi n ASP 9 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 2gzi s TYR 10 N -2.76 3.12 0.78 1.24 1.51 -0.26 -4.39 117.35 116.59 2gzi s TYR 10 Ca 0.21 -0.05 -0.11 0.00 -1.01 0.00 0.00 57.07 56.12 2gzi s TYR 10 Cb 0.19 -1.93 0.06 0.00 -0.11 0.00 0.00 41.96 40.17 2gzi s TYR 10 CO 0.47 0.17 1.09 0.95 -1.11 0.00 0.00 175.55 177.12 2gzi s THR 11 N -0.03 3.30 0.28 -0.71 -4.23 -1.26 -0.33 115.64 112.66 2gzi s THR 11 Ca 0.03 0.42 0.01 0.00 -1.18 0.00 0.00 61.69 60.98 2gzi s THR 11 Cb -0.13 -2.94 0.28 0.00 1.34 0.00 0.00 72.50 71.05 2gzi s THR 11 CO 0.02 -0.55 1.82 -0.08 -0.54 0.00 0.00 174.62 175.29 2gzi h GLU 12 N -1.14 0.91 -0.73 3.99 4.81 -1.92 -1.81 114.58 118.68 2gzi h GLU 12 Ca -0.44 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 58.68 2gzi h GLU 12 Cb 1.24 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 2gzi h GLU 12 CO 0.53 0.60 0.27 0.00 -0.73 0.00 0.00 179.01 179.68 2gzi h ALA 13 N 1.54 1.10 -0.22 2.92 0.00 -1.95 -0.28 119.26 122.36 2gzi h ALA 13 Ca 0.50 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 2gzi h ALA 13 Cb 0.53 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2gzi h ALA 13 CO -0.28 0.63 -0.51 0.93 0.00 0.00 0.00 179.25 180.02 2gzi h GLU 14 N 1.07 0.63 -0.61 0.00 5.08 -1.81 -2.44 114.58 116.50 2gzi h GLU 14 Ca 0.24 -0.38 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 2gzi h GLU 14 Cb 0.23 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2gzi h GLU 14 CO -0.02 0.99 0.03 0.35 -1.00 0.00 0.00 179.01 179.36 2gzi h PHE 15 N 0.49 1.13 -0.77 4.33 3.57 -0.83 -1.85 116.94 123.02 2gzi h PHE 15 Ca 0.02 -0.18 0.03 0.00 3.53 0.00 0.00 57.97 61.37 2gzi h PHE 15 Cb 1.06 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.46 2gzi h PHE 15 CO 0.05 0.99 0.51 1.25 -2.23 0.00 0.00 178.31 178.87 2gzi h LEU 16 N 0.97 0.81 -0.57 0.59 5.85 -0.95 -1.77 115.31 120.24 2gzi h LEU 16 Ca 0.18 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 2gzi h LEU 16 Cb 0.52 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2gzi h LEU 16 CO 0.02 0.56 0.04 1.56 -0.34 0.00 0.00 178.44 180.28 2gzi h GLN 17 N 0.95 0.99 -0.10 1.25 1.08 -0.86 -0.00 115.11 118.42 2gzi h GLN 17 Ca 0.30 -0.30 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2gzi h GLN 17 Cb 0.04 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 2gzi h GLN 17 CO -0.09 0.97 0.04 1.25 -0.95 0.00 0.00 178.83 180.05 2gzi h LEU 18 N 0.88 0.06 -0.76 1.46 5.85 -1.06 -1.77 115.31 119.97 2gzi h LEU 18 Ca 0.17 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.80 2gzi h LEU 18 Cb 0.50 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2gzi h LEU 18 CO 0.02 0.05 -0.04 0.58 -0.34 0.00 0.00 178.44 178.71 2gzi h VAL 19 N 0.10 1.26 -0.71 1.05 2.07 -1.17 -1.62 116.25 117.23 2gzi h VAL 19 Ca 0.04 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 2gzi h VAL 19 Cb 0.01 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 2gzi h VAL 19 CO -0.03 0.40 0.37 0.74 0.02 0.00 0.00 177.57 179.07 2gzi h THR 20 N 0.83 1.22 -0.57 2.57 2.02 -0.87 -0.68 112.91 117.43 2gzi h THR 20 Ca 0.15 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 2gzi h THR 20 Cb 0.54 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 2gzi h THR 20 CO 0.03 0.25 0.33 0.74 0.37 0.00 0.00 175.52 177.24 2gzi h THR 21 N 0.97 1.18 0.09 3.16 2.02 -0.87 -2.02 112.91 117.45 2gzi h THR 21 Ca 0.25 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 2gzi h THR 21 Cb 0.06 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 2gzi h THR 21 CO -0.04 0.19 -0.04 0.40 0.37 0.00 0.00 175.52 176.40 2gzi h ILE 22 N 0.77 1.06 -0.60 3.11 2.04 -1.04 -1.76 117.51 121.09 2gzi h ILE 22 Ca 0.20 -0.53 0.11 0.00 1.00 0.00 0.00 64.86 65.64 2gzi h ILE 22 Cb 0.01 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 2gzi h ILE 22 CO -0.04 0.13 0.40 0.00 0.00 0.00 0.00 178.15 178.65 2gzi n ASN 24 N -4.47 2.01 -3.95 0.00 3.02 -0.77 -4.95 115.26 106.15 2gzi n ASN 24 Ca 0.10 -1.68 -0.30 0.00 -0.03 0.00 0.00 54.58 52.68 2gzi n ASN 24 Cb 0.40 -0.02 0.01 0.00 -0.61 0.00 0.00 39.78 39.56 2gzi n ASN 24 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gzi n ALA 25 N 0.57 -1.47 -1.94 5.41 0.00 -0.78 -4.85 120.51 117.44 2gzi n ALA 25 Ca 0.17 0.04 -0.41 0.00 0.00 0.00 0.00 53.44 53.25 2gzi n ALA 25 Cb 0.43 -3.55 -0.01 0.00 0.00 0.00 0.00 19.45 16.32 2gzi n ALA 25 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2gzi n ASP 26 N -2.85 7.17 -4.27 0.00 2.03 -0.69 -4.89 116.55 113.06 2gzi n ASP 26 Ca -0.04 -3.01 -0.14 0.00 0.52 0.00 0.00 54.79 52.11 2gzi n ASP 26 Cb 0.56 -1.44 -0.10 0.00 -0.72 0.00 0.00 41.12 39.41 2gzi n ASP 26 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2gzi s THR 27 N 0.09 0.67 -0.28 5.18 -4.23 -1.26 -4.95 115.64 110.86 2gzi s THR 27 Ca 0.53 -1.99 0.22 0.00 -1.18 0.00 0.00 61.69 59.27 2gzi s THR 27 Cb 0.16 -2.27 0.27 0.00 1.34 0.00 0.00 72.50 72.00 2gzi s THR 27 CO -0.06 -0.34 1.62 -1.28 -0.54 0.00 0.00 174.62 174.01 2gzi h SER 28 N 2.60 0.00 -5.02 3.99 0.87 -1.97 -3.47 113.55 110.56 2gzi h SER 28 Ca -0.37 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.15 2gzi h SER 28 Cb 1.22 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.04 2gzi h SER 28 CO 0.62 0.14 0.14 -0.94 -0.53 0.00 0.00 176.83 176.26 2gzi s SER 29 N -6.22 -0.51 0.23 6.23 1.04 -1.26 -5.03 113.70 108.18 2gzi s SER 29 Ca 0.05 0.03 -0.06 0.00 0.48 0.00 0.00 55.95 56.45 2gzi s SER 29 Cb 0.06 0.56 0.37 0.00 0.10 0.00 0.00 66.02 67.11 2gzi s SER 29 CO 0.67 -0.89 1.76 -0.08 0.98 0.00 0.00 173.24 175.69 2gzi h GLU 30 N 2.24 0.53 -0.81 4.02 4.81 -1.99 -2.45 114.58 120.93 2gzi h GLU 30 Ca -0.33 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 58.94 2gzi h GLU 30 Cb 1.27 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 30.47 2gzi h GLU 30 CO 0.40 0.35 0.49 0.93 -0.73 0.00 0.00 179.01 180.45 2gzi h GLU 31 N 0.55 0.85 -0.63 1.92 3.07 -1.99 -1.08 114.58 117.27 2gzi h GLU 31 Ca 0.37 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 59.09 2gzi h GLU 31 Cb 0.44 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 2gzi h GLU 31 CO -0.31 0.56 0.08 1.49 -1.40 0.00 0.00 179.01 179.44 2gzi h GLU 32 N 0.88 1.05 0.08 2.33 4.81 -1.85 -1.94 114.58 119.94 2gzi h GLU 32 Ca 0.36 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2gzi h GLU 32 Cb 0.21 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2gzi h GLU 32 CO -0.19 0.99 -0.04 1.25 -0.73 0.00 0.00 179.01 180.30 2gzi h LEU 33 N 0.96 -0.09 -0.77 1.64 5.85 -1.11 -2.05 115.31 119.75 2gzi h LEU 33 Ca 0.19 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 59.00 2gzi h LEU 33 Cb 0.46 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.44 2gzi h LEU 33 CO 0.02 -0.04 0.39 0.00 -0.34 0.00 0.00 178.44 178.47 2gzi h ALA 34 N 0.80 1.09 -0.61 1.25 0.00 -1.11 -1.24 119.26 119.44 2gzi h ALA 34 Ca -0.01 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2gzi h ALA 34 Cb 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2gzi h ALA 34 CO 0.02 -0.05 0.36 -0.22 0.00 0.00 0.00 179.25 179.37 2gzi h LYS 35 N 0.63 0.69 -0.65 0.00 3.64 -1.19 -1.60 116.57 118.08 2gzi h LYS 35 Ca 0.39 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.70 2gzi h LYS 35 Cb 0.46 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 2gzi h LYS 35 CO -0.30 0.45 0.30 -0.07 -2.27 0.00 0.00 179.45 177.56 2gzi h LEU 36 N 0.71 0.86 -0.30 5.20 3.38 -0.59 -1.31 115.31 123.25 2gzi h LEU 36 Ca 0.26 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2gzi h LEU 36 Cb 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2gzi h LEU 36 CO -0.12 0.76 0.12 0.58 0.09 0.00 0.00 178.44 179.87 2gzi h VAL 37 N 0.90 1.17 -0.62 1.22 2.07 -1.02 -0.60 116.25 119.37 2gzi h VAL 37 Ca 0.22 -0.52 0.08 0.00 0.82 0.00 0.00 66.70 67.30 2gzi h VAL 37 Cb 0.14 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 2gzi h VAL 37 CO -0.03 0.18 0.28 0.74 0.02 0.00 0.00 177.57 178.77 2gzi h THR 38 N 0.33 0.85 -0.09 2.57 2.02 -1.16 -1.46 112.91 115.97 2gzi h THR 38 Ca 0.10 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 67.13 2gzi h THR 38 Cb 0.17 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 2gzi h THR 38 CO -0.01 0.09 -0.06 -0.74 0.37 0.00 0.00 175.52 175.18 2gzi h HIS 39 N 0.50 -0.13 -0.55 3.16 6.17 -0.99 -1.82 115.15 121.50 2gzi h HIS 39 Ca 0.30 0.01 0.11 0.00 0.71 0.00 0.00 60.37 61.50 2gzi h HIS 39 Cb 0.31 0.07 -0.09 0.00 2.52 0.00 0.00 27.41 30.22 2gzi h HIS 39 CO -0.13 -0.09 0.02 0.35 0.71 0.00 0.00 177.93 178.79 2gzi h PHE 40 N -0.06 0.01 -0.79 5.26 3.04 -0.63 -0.99 116.94 122.78 2gzi h PHE 40 Ca 0.06 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 62.03 2gzi h PHE 40 Cb 0.14 0.08 -0.04 0.00 2.56 0.00 0.00 35.95 38.69 2gzi h PHE 40 CO -0.17 -0.11 0.43 0.93 -2.02 0.00 0.00 178.31 177.37 2gzi h GLU 41 N 0.14 1.11 -0.24 1.11 5.08 -1.00 -0.50 114.58 120.28 2gzi h GLU 41 Ca 0.28 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 2gzi h GLU 41 Cb 0.43 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2gzi h GLU 41 CO -0.44 0.82 -0.19 0.93 -1.00 0.00 0.00 179.01 179.13 2gzi h GLU 42 N 1.10 0.42 -0.02 2.33 5.08 -0.72 -1.70 114.58 121.07 2gzi h GLU 42 Ca 0.28 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 2gzi h GLU 42 Cb 0.04 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2gzi h GLU 42 CO -0.04 0.59 -0.25 0.52 -1.00 0.00 0.00 179.01 178.83 2gzi h MET 43 N 0.38 0.21 -0.24 2.33 2.86 -0.55 -3.32 114.93 116.60 2gzi h MET 43 Ca 0.07 -0.20 -0.13 0.00 -2.06 0.00 0.00 59.70 57.38 2gzi h MET 43 Cb 0.55 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 2gzi h MET 43 CO 0.04 0.89 -0.40 1.79 1.06 0.00 0.00 176.91 180.28 2gzi h THR 44 N -0.39 1.30 -0.77 2.22 1.35 -1.11 -3.38 112.91 112.12 2gzi h THR 44 Ca -0.02 -1.56 -0.33 0.00 -0.55 0.00 0.00 66.41 63.95 2gzi h THR 44 Cb 0.95 1.55 -0.13 0.00 -1.73 0.00 0.00 68.15 68.79 2gzi h THR 44 CO 0.05 0.49 -0.30 -0.62 -0.25 0.00 0.00 175.52 174.89 2gzi n GLU 45 N -4.03 -1.52 -2.41 4.72 1.02 -0.64 -4.94 120.64 112.83 2gzi n GLU 45 Ca -0.02 1.06 -0.41 0.00 -0.02 0.00 0.00 57.16 57.78 2gzi n GLU 45 Cb 0.51 -5.45 -0.03 0.00 -0.02 0.00 0.00 31.44 26.45 2gzi n GLU 45 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2gzi s HIS 46 N -2.40 3.47 0.16 -0.32 2.46 -1.26 -4.92 115.29 112.48 2gzi s HIS 46 Ca 0.00 1.44 0.33 0.00 0.47 0.00 0.00 55.06 57.30 2gzi s HIS 46 Cb 0.00 -3.39 1.70 0.00 -0.13 0.00 0.00 32.58 30.76 2gzi s HIS 46 CO 0.00 -1.09 2.00 -1.00 -2.47 0.00 0.00 174.74 172.18 2gzi h PRO 47 N 5.52 0.00 0.00 2.88 0.13 -1.97 -2.36 132.00 136.20 2gzi h PRO 47 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2gzi h PRO 47 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2gzi h PRO 47 CO 0.75 0.00 -0.34 0.77 -0.23 0.00 0.00 178.00 178.95 2gzi h SER 48 N 0.00 0.00 0.00 1.44 0.02 -2.01 -3.49 113.55 109.51 2gzi h SER 48 Ca 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2gzi h SER 48 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2gzi h SER 48 CO 0.00 0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.34 2gzi n GLY 49 N 1.27 2.62 0.07 -3.77 0.00 -0.89 -1.52 105.19 102.97 2gzi n GLY 49 Ca 0.04 -0.41 0.08 0.00 0.00 0.00 0.00 46.02 45.73 2gzi n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gzi n SER 50 N 2.39 0.31 0.04 1.61 3.41 -1.26 -2.60 113.62 117.52 2gzi n SER 50 Ca 0.00 0.59 0.20 0.00 -0.26 0.00 0.00 58.87 59.40 2gzi n SER 50 Cb 0.00 -0.65 0.72 0.00 -0.26 0.00 0.00 64.21 64.01 2gzi n SER 50 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2gzi h ASP 51 N 0.00 0.00 -0.62 4.04 3.45 -1.61 -1.81 116.42 119.87 2gzi h ASP 51 Ca 0.00 0.00 0.06 0.00 0.43 0.00 0.00 57.03 57.52 2gzi h ASP 51 Cb 0.23 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 38.96 2gzi h ASP 51 CO 0.00 0.00 0.41 -0.07 -1.57 0.00 0.00 179.24 178.01 2gzi h LEU 52 N 0.00 0.53 0.16 1.55 3.38 -1.67 -0.30 115.31 118.96 2gzi h LEU 52 Ca 0.22 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.87 2gzi h LEU 52 Cb 0.95 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.59 2gzi h LEU 52 CO -0.00 0.34 -1.57 0.40 0.09 0.00 0.00 178.44 177.70 2gzi h ILE 53 N 0.60 1.14 0.00 1.22 2.04 -1.58 -3.43 117.51 117.50 2gzi h ILE 53 Ca 0.27 -2.72 -0.02 0.00 1.00 0.00 0.00 64.86 63.39 2gzi h ILE 53 Cb 0.29 2.82 -0.00 0.00 -0.74 0.00 0.00 36.82 39.19 2gzi h ILE 53 CO -0.08 0.83 -1.14 -1.22 0.00 0.00 0.00 178.15 176.55 2gzi n TYR 54 N -3.54 0.00 -3.19 1.37 4.02 -1.03 -4.81 117.16 109.98 2gzi n TYR 54 Ca -0.18 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.49 2gzi n TYR 54 Cb 1.06 -0.08 -0.05 0.00 -0.02 0.00 0.00 39.34 40.25 2gzi n TYR 54 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2gzi n TYR 55 N -1.79 0.51 -1.81 -0.72 4.02 -0.14 -5.05 117.16 112.18 2gzi n TYR 55 Ca -0.02 -3.75 -0.38 0.00 -0.01 0.00 0.00 57.90 53.74 2gzi n TYR 55 Cb 0.27 -0.41 0.04 0.00 -0.02 0.00 0.00 39.34 39.22 2gzi n TYR 55 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2gzi s PRO 56 N -2.00 3.22 0.58 -0.72 0.04 -1.16 -4.66 135.00 130.31 2gzi s PRO 56 Ca 0.39 2.22 -0.20 0.00 0.04 0.00 0.00 61.00 63.45 2gzi s PRO 56 Cb 0.26 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2gzi s PRO 56 CO -0.09 -1.12 1.25 0.21 0.04 0.00 0.00 177.00 177.29 2gzi s LYS 57 N -2.86 3.02 -0.02 4.56 2.20 -1.26 -4.92 119.74 120.46 2gzi s LYS 57 Ca 0.70 1.96 -0.36 0.00 -0.36 0.00 0.00 55.97 57.91 2gzi s LYS 57 Cb -0.40 -2.04 -0.15 0.00 -1.51 0.00 0.00 37.83 33.73 2gzi s LYS 57 CO 0.48 -1.21 1.59 0.39 -0.36 0.00 0.00 175.35 176.24 2gzi n GLU 58 N -1.40 1.55 0.00 4.03 1.02 -1.26 -0.95 120.64 123.62 2gzi n GLU 58 Ca 0.13 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 2gzi n GLU 58 Cb 0.48 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.62 2gzi n GLU 58 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gzi n GLY 59 N 3.46 2.18 3.73 0.62 0.00 -1.26 -5.04 105.19 108.88 2gzi n GLY 59 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2gzi n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gzi s ASP 60 N -2.42 7.19 -0.57 1.61 -0.00 -0.13 -4.99 116.67 117.37 2gzi s ASP 60 Ca 0.00 2.09 -0.28 0.00 -0.00 0.00 0.00 52.55 54.35 2gzi s ASP 60 Cb 0.00 -2.60 0.03 0.00 -0.00 0.00 0.00 42.92 40.35 2gzi s ASP 60 CO 0.00 -0.31 1.25 -0.62 -0.00 0.00 0.00 175.17 175.48 2gzi s ASP 61 N 0.25 6.38 -0.09 0.27 -1.08 -1.26 -4.86 116.67 116.27 2gzi s ASP 61 Ca 0.52 0.17 0.07 0.00 -0.52 0.00 0.00 52.55 52.79 2gzi s ASP 61 Cb -0.30 -2.55 0.36 0.00 -1.46 0.00 0.00 42.92 38.97 2gzi s ASP 61 CO 0.34 -1.53 1.10 -0.90 0.52 0.00 0.00 175.17 174.70 2gzi n ASP 62 N 8.68 2.96 -4.77 -0.34 3.85 -1.26 -3.10 116.55 122.58 2gzi n ASP 62 Ca 0.10 -2.36 -0.32 0.00 -0.71 0.00 0.00 54.79 51.49 2gzi n ASP 62 Cb 0.49 -0.53 0.07 0.00 -1.35 0.00 0.00 41.12 39.80 2gzi n ASP 62 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 2gzi s SER 63 N -0.45 4.80 0.21 -1.12 1.04 -1.26 -4.80 113.70 112.12 2gzi s SER 63 Ca 0.25 1.94 -0.11 0.00 0.48 0.00 0.00 55.95 58.50 2gzi s SER 63 Cb 0.18 -2.54 0.27 0.00 0.10 0.00 0.00 66.02 64.03 2gzi s SER 63 CO 0.08 -1.84 1.69 -0.65 0.98 0.00 0.00 173.24 173.51 2gzi h PRO 64 N -0.49 0.17 -0.94 4.02 0.11 -1.90 0.22 132.00 133.19 2gzi h PRO 64 Ca -0.45 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.67 2gzi h PRO 64 Cb 1.24 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 2gzi h PRO 64 CO 0.53 0.11 0.62 0.77 -0.21 0.00 0.00 178.00 179.82 2gzi h SER 65 N 0.18 1.05 -0.48 -2.05 0.02 -1.93 -0.83 113.55 109.50 2gzi h SER 65 Ca 0.30 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2gzi h SER 65 Cb 0.47 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 2gzi h SER 65 CO -0.45 0.73 0.31 1.23 -1.14 0.00 0.00 176.83 177.52 2gzi h GLY 66 N 1.22 0.68 0.90 -3.77 0.00 -1.36 -1.39 103.07 99.36 2gzi h GLY 66 Ca 0.36 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 2gzi h GLY 66 CO -0.10 0.26 0.06 -2.22 0.00 0.00 0.00 176.54 174.54 2gzi h ILE 67 N 0.65 1.23 -0.55 2.60 2.04 -0.73 -1.99 117.51 120.76 2gzi h ILE 67 Ca 0.18 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.29 2gzi h ILE 67 Cb -0.06 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 2gzi h ILE 67 CO -0.04 0.26 0.29 0.58 0.00 0.00 0.00 178.15 179.25 2gzi h VAL 68 N 0.36 0.98 -0.52 1.67 2.07 -1.04 -1.35 116.25 118.42 2gzi h VAL 68 Ca 0.10 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.48 2gzi h VAL 68 Cb 0.33 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 2gzi h VAL 68 CO 0.00 0.10 0.24 -1.13 0.02 0.00 0.00 177.57 176.81 2gzi h ASN 69 N 0.57 0.33 -0.40 0.57 -0.73 -1.09 -0.06 115.58 114.76 2gzi h ASN 69 Ca 0.24 0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.43 2gzi h ASN 69 Cb 0.12 -0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.68 2gzi h ASN 69 CO -0.15 0.22 0.20 0.74 -0.37 0.00 0.00 177.43 178.07 2gzi h THR 70 N 0.47 1.17 -0.34 -3.57 2.02 -0.97 0.02 112.91 111.70 2gzi h THR 70 Ca 0.24 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 2gzi h THR 70 Cb 0.18 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 2gzi h THR 70 CO -0.19 0.18 0.18 0.58 0.37 0.00 0.00 175.52 176.64 2gzi h VAL 71 N 0.51 1.15 -0.45 3.16 2.07 -1.07 -1.08 116.25 120.53 2gzi h VAL 71 Ca 0.14 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.26 2gzi h VAL 71 Cb 0.10 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2gzi h VAL 71 CO -0.02 0.15 0.29 0.50 0.02 0.00 0.00 177.57 178.52 2gzi h LYS 72 N 0.42 0.58 -0.42 1.57 3.64 -0.67 -1.00 116.57 120.70 2gzi h LYS 72 Ca 0.12 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 2gzi h LYS 72 Cb 0.09 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2gzi h LYS 72 CO -0.02 0.38 -0.22 1.96 -2.27 0.00 0.00 179.45 179.29 2gzi h GLN 73 N 0.60 0.83 -0.05 1.90 1.08 -0.94 -2.38 115.11 116.14 2gzi h GLN 73 Ca 0.17 -0.34 -0.01 0.00 -1.45 0.00 0.00 58.65 57.02 2gzi h GLN 73 Cb -0.05 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.34 2gzi h GLN 73 CO -0.05 0.97 -0.02 2.35 -0.95 0.00 0.00 178.83 181.14 2gzi h TRP 74 N 0.73 0.12 -0.52 2.96 7.01 -0.81 -0.18 115.95 125.25 2gzi h TRP 74 Ca 0.10 -0.03 0.07 0.00 2.11 0.00 0.00 58.89 61.14 2gzi h TRP 74 Cb 0.74 -0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.72 2gzi h TRP 74 CO 0.04 0.45 0.20 0.00 -2.79 0.00 0.00 178.44 176.35 2gzi h ARG 75 N -0.25 0.38 -0.71 2.65 3.08 -1.23 -1.15 114.38 117.15 2gzi h ARG 75 Ca 0.01 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 2gzi h ARG 75 Cb 0.42 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 2gzi h ARG 75 CO 0.01 0.25 0.34 0.00 -1.07 0.00 0.00 179.97 179.50 2gzi h ALA 76 N 1.34 0.92 0.00 0.04 0.00 -1.25 -1.95 119.26 118.35 2gzi h ALA 76 Ca 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2gzi h ALA 76 Cb 0.25 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2gzi h ALA 76 CO -0.24 0.48 -0.07 0.00 0.00 0.00 0.00 179.25 179.42 2gzi h ALA 77 N 1.17 0.98 -0.19 0.00 0.00 -0.63 -3.33 119.26 117.25 2gzi h ALA 77 Ca 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2gzi h ALA 77 Cb 0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2gzi h ALA 77 CO -0.03 0.09 -0.00 0.09 0.00 0.00 0.00 179.25 179.39 2gzi n ASN 78 N -3.15 3.42 0.00 0.00 3.02 -0.47 -4.98 115.26 113.10 2gzi n ASN 78 Ca 0.02 -3.07 0.00 0.00 -0.03 0.00 0.00 54.58 51.50 2gzi n ASN 78 Cb 0.43 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 2gzi n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gzi n GLY 79 N -0.79 0.51 3.73 7.41 0.00 -1.12 -5.01 105.19 109.92 2gzi n GLY 79 Ca 0.20 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 2gzi n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gzi s LYS 80 N -1.22 2.64 0.65 1.61 1.02 -0.76 -5.07 119.74 118.60 2gzi s LYS 80 Ca 0.00 -1.02 -0.17 0.00 0.02 0.00 0.00 55.97 54.80 2gzi s LYS 80 Cb 0.00 -2.48 -0.01 0.00 -0.52 0.00 0.00 37.83 34.82 2gzi s LYS 80 CO 0.00 0.46 1.20 -1.54 -0.92 0.00 0.00 175.35 174.55 2gzi s SER 81 N -3.11 4.83 0.00 2.83 1.04 -1.26 -4.47 113.70 113.56 2gzi s SER 81 Ca 0.29 2.34 0.00 0.00 0.48 0.00 0.00 55.95 59.06 2gzi s SER 81 Cb -0.09 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2gzi s SER 81 CO 0.21 -1.84 0.00 0.61 0.98 0.00 0.00 173.24 173.20 2gzi n GLY 82 N 0.35 5.39 3.73 7.32 0.00 -1.26 -4.84 105.19 115.88 2gzi n GLY 82 Ca 0.13 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 2gzi n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gzi s PHE 83 N 1.40 2.13 0.14 1.61 0.40 -1.26 -3.69 117.98 118.69 2gzi s PHE 83 Ca 0.00 1.57 -0.31 0.00 -0.60 0.00 0.00 56.93 57.58 2gzi s PHE 83 Cb 0.00 -3.50 -0.11 0.00 0.51 0.00 0.00 43.02 39.92 2gzi s PHE 83 CO 0.00 -2.57 1.81 0.21 0.70 0.00 0.00 175.22 175.37 2gzi s LYS 84 N -3.74 4.13 0.00 0.44 2.20 0.55 -4.94 119.74 118.39 2gzi s LYS 84 Ca 0.76 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.97 2gzi s LYS 84 Cb -0.30 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.51 2gzi s LYS 84 CO 0.42 -0.83 0.00 1.04 -0.36 0.00 0.00 175.35 175.63