#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pdg n ALA 8 N 0.00 0.00 -2.28 1.51 0.00 -1.26 -5.15 120.51 113.32 1pdg n ALA 8 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1pdg n ALA 8 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1pdg n ALA 8 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1pdg s GLU 9 N 0.00 4.42 0.43 0.00 2.12 -1.26 -5.01 118.70 119.40 1pdg s GLU 9 Ca 0.00 0.95 -0.23 0.00 0.36 0.00 0.00 54.97 56.05 1pdg s GLU 9 Cb 0.00 -3.31 -0.11 0.00 0.26 0.00 0.00 34.13 30.97 1pdg s GLU 9 CO 0.00 0.45 0.72 -0.35 -0.54 0.00 0.00 175.26 175.54 1pdg n PRO 10 N 2.25 0.83 -1.34 4.30 -0.04 -1.26 -4.93 135.00 134.81 1pdg n PRO 10 Ca -0.06 0.30 -0.31 0.00 -0.04 0.00 0.00 63.50 63.40 1pdg n PRO 10 Cb 0.50 -1.72 0.09 0.00 -0.04 0.00 0.00 33.50 32.33 1pdg n PRO 10 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pdg s ALA 11 N -1.41 2.20 0.08 0.55 0.00 -1.26 -5.09 121.76 116.83 1pdg s ALA 11 Ca 0.64 0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.76 1pdg s ALA 11 Cb -0.58 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 1pdg s ALA 11 CO 0.57 -1.77 -0.09 -1.64 0.00 0.00 0.00 175.76 172.82 1pdg s MET 12 N -4.96 0.78 0.26 0.00 -1.94 -1.26 -5.16 119.30 107.01 1pdg s MET 12 Ca 0.61 -1.08 0.06 0.00 -1.71 0.00 0.00 55.69 53.57 1pdg s MET 12 Cb -0.16 -0.46 -0.03 0.00 2.01 0.00 0.00 34.83 36.18 1pdg s MET 12 CO 0.56 0.07 0.30 -1.50 -0.01 0.00 0.00 175.02 174.44 1pdg s ILE 13 N -2.30 4.72 0.00 2.53 2.07 -1.26 -5.01 121.20 121.96 1pdg s ILE 13 Ca 0.03 -1.17 0.00 0.00 -1.41 0.00 0.00 60.65 58.09 1pdg s ILE 13 Cb -0.04 -3.60 0.00 0.00 0.13 0.00 0.00 42.46 38.95 1pdg s ILE 13 CO -0.00 -0.31 0.83 0.00 -1.91 0.00 0.00 174.94 173.55 1pdg n ALA 14 N -1.34 2.42 -0.22 1.50 0.00 -1.26 -4.98 120.51 116.63 1pdg n ALA 14 Ca -0.07 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.30 1pdg n ALA 14 Cb 0.58 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1pdg n ALA 14 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1pdg n GLU 15 N 0.94 0.00 -3.02 0.00 2.13 -1.26 -0.85 120.64 118.58 1pdg n GLU 15 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 1pdg n GLU 15 Cb 0.33 -0.19 -0.06 0.00 0.27 0.00 0.00 31.44 31.80 1pdg n GLU 15 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1pdg n LYS 17 N 6.03 0.11 -3.79 0.00 4.81 -1.11 -4.78 118.16 119.44 1pdg n LYS 17 Ca 0.02 -0.38 -0.37 0.00 -0.87 0.00 0.00 58.31 56.70 1pdg n LYS 17 Cb 0.48 0.39 -0.13 0.00 0.02 0.00 0.00 35.03 35.80 1pdg n LYS 17 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1pdg s THR 18 N -2.57 3.69 0.00 3.15 -1.32 -1.24 -3.29 115.64 114.06 1pdg s THR 18 Ca 0.04 -0.99 0.00 0.00 -1.21 0.00 0.00 61.69 59.53 1pdg s THR 18 Cb -0.00 -3.01 0.00 0.00 -1.51 0.00 0.00 72.50 67.98 1pdg s THR 18 CO 0.03 -0.05 0.00 0.54 -2.21 0.00 0.00 174.62 172.93 1pdg n ARG 19 N 4.80 3.84 -4.17 7.08 1.74 -0.76 -4.87 116.66 124.32 1pdg n ARG 19 Ca -0.14 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.78 1pdg n ARG 19 Cb 0.46 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.78 1pdg n ARG 19 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1pdg s THR 20 N 2.92 0.88 0.33 0.55 2.01 -1.26 -3.13 115.64 117.94 1pdg s THR 20 Ca 0.00 -1.10 0.06 0.00 0.31 0.00 0.00 61.69 60.96 1pdg s THR 20 Cb 0.00 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.62 1pdg s THR 20 CO 0.00 -0.21 0.25 -1.61 -0.69 0.00 0.00 174.62 172.36 1pdg s GLU 21 N -1.47 1.75 -0.32 4.92 2.02 -0.99 -4.92 118.70 119.69 1pdg s GLU 21 Ca -0.04 -2.02 0.02 0.00 0.02 0.00 0.00 54.97 52.95 1pdg s GLU 21 Cb -0.09 0.21 0.08 0.00 0.10 0.00 0.00 34.13 34.44 1pdg s GLU 21 CO 0.01 -0.62 0.02 0.08 0.02 0.00 0.00 175.26 174.78 1pdg s VAL 22 N -3.45 2.52 0.14 2.63 1.01 -1.26 -1.67 120.40 120.31 1pdg s VAL 22 Ca 0.39 -1.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.11 1pdg s VAL 22 Cb 0.03 -2.67 -0.07 0.00 0.00 0.00 0.00 36.38 33.67 1pdg s VAL 22 CO 0.25 -0.38 1.02 0.12 0.00 0.00 0.00 175.10 176.11 1pdg s PHE 23 N 1.05 3.73 -0.10 5.22 5.36 0.72 -4.96 117.98 129.00 1pdg s PHE 23 Ca 0.03 1.72 -0.05 0.00 -0.96 0.00 0.00 56.93 57.67 1pdg s PHE 23 Cb -0.20 -3.14 -0.04 0.00 -0.34 0.00 0.00 43.02 39.30 1pdg s PHE 23 CO -0.05 -0.11 0.09 -1.21 -1.46 0.00 0.00 175.22 172.47 1pdg s GLU 24 N -0.17 3.27 -0.05 10.12 2.02 -1.26 -3.02 118.70 129.60 1pdg s GLU 24 Ca 0.48 -0.24 0.04 0.00 0.02 0.00 0.00 54.97 55.26 1pdg s GLU 24 Cb -0.26 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 30.94 1pdg s GLU 24 CO 0.32 0.75 -0.15 0.96 0.02 0.00 0.00 175.26 177.15 1pdg s ILE 25 N -0.99 1.33 -0.06 -1.63 -4.36 -0.91 -5.00 121.20 109.58 1pdg s ILE 25 Ca 0.15 -0.64 -0.14 0.00 -0.26 0.00 0.00 60.65 59.76 1pdg s ILE 25 Cb -0.12 -1.16 0.03 0.00 1.25 0.00 0.00 42.46 42.46 1pdg s ILE 25 CO 0.04 0.39 0.34 -0.55 0.24 0.00 0.00 174.94 175.40 1pdg s SER 26 N 0.25 -0.27 -1.36 4.36 0.15 -1.26 -4.90 113.70 110.66 1pdg s SER 26 Ca -0.08 0.34 -0.02 0.00 0.70 0.00 0.00 55.95 56.89 1pdg s SER 26 Cb -0.13 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1pdg s SER 26 CO 0.03 -0.33 0.29 0.33 1.20 0.00 0.00 173.24 174.76 1pdg n PHE 37 N 1.87 -1.28 -1.79 3.44 -0.00 -1.25 -5.16 117.46 113.29 1pdg n PHE 37 Ca -0.18 0.25 -0.42 0.00 -0.00 0.00 0.00 57.45 57.10 1pdg n PHE 37 Cb 0.57 -3.71 -0.03 0.00 -0.00 0.00 0.00 39.48 36.31 1pdg n PHE 37 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1pdg s LEU 38 N -5.30 4.37 0.07 -2.13 2.96 -1.16 -4.77 118.68 112.71 1pdg s LEU 38 Ca 0.15 2.77 0.01 0.00 -0.22 0.00 0.00 54.13 56.84 1pdg s LEU 38 Cb -0.06 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 1pdg s LEU 38 CO 0.18 -0.94 0.15 -0.69 -1.32 0.00 0.00 176.35 173.73 1pdg s VAL 39 N 1.47 5.01 -0.04 1.68 1.01 -1.26 -0.79 120.40 127.48 1pdg s VAL 39 Ca 0.74 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 62.21 1pdg s VAL 39 Cb -0.47 -3.43 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 1pdg s VAL 39 CO 0.32 0.14 -0.16 0.86 0.00 0.00 0.00 175.10 176.26 1pdg s TRP 40 N -1.45 1.58 0.85 5.22 -0.00 -1.10 -3.72 118.94 120.32 1pdg s TRP 40 Ca 0.32 -0.43 -0.12 0.00 -0.00 0.00 0.00 56.10 55.87 1pdg s TRP 40 Cb -0.13 -1.07 0.11 0.00 -0.00 0.00 0.00 33.47 32.38 1pdg s TRP 40 CO 0.25 -0.14 1.15 -1.25 -0.00 0.00 0.00 176.95 176.96 1pdg s PRO 41 N 0.02 1.60 0.02 5.86 0.04 -1.26 -3.26 135.00 138.02 1pdg s PRO 41 Ca -0.03 0.25 0.24 0.00 0.04 0.00 0.00 61.00 61.50 1pdg s PRO 41 Cb -0.11 -1.90 0.32 0.00 0.04 0.00 0.00 34.50 32.86 1pdg s PRO 41 CO 0.02 -1.87 1.28 -0.35 0.04 0.00 0.00 177.00 176.11 1pdg n PRO 42 N -3.54 0.09 -3.44 0.56 -0.04 -1.24 -4.76 135.00 122.63 1pdg n PRO 42 Ca 0.07 0.01 -0.24 0.00 -0.04 0.00 0.00 63.50 63.30 1pdg n PRO 42 Cb 0.60 -1.54 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 1pdg n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pdg s VAL 44 N 1.46 4.52 0.12 0.00 -7.23 -1.17 -4.80 120.40 113.30 1pdg s VAL 44 Ca 0.15 1.95 -0.27 0.00 -1.81 0.00 0.00 61.98 62.01 1pdg s VAL 44 Cb -0.19 -4.27 -0.07 0.00 0.56 0.00 0.00 36.38 32.42 1pdg s VAL 44 CO -0.09 0.35 0.84 -1.83 -0.31 0.00 0.00 175.10 174.06 1pdg s GLU 45 N -0.15 4.62 -0.02 4.82 -1.05 -1.26 -0.20 118.70 125.46 1pdg s GLU 45 Ca 0.44 1.24 0.00 0.00 -0.15 0.00 0.00 54.97 56.50 1pdg s GLU 45 Cb -0.23 -3.32 0.03 0.00 -0.44 0.00 0.00 34.13 30.17 1pdg s GLU 45 CO 0.28 0.39 0.02 0.54 0.95 0.00 0.00 175.26 177.44 1pdg s VAL 46 N -0.54 0.02 0.99 1.83 0.11 -0.67 -4.87 120.40 117.28 1pdg s VAL 46 Ca 0.40 0.17 -0.13 0.00 -2.93 0.00 0.00 61.98 59.48 1pdg s VAL 46 Cb -0.23 -0.14 0.09 0.00 -1.53 0.00 0.00 36.38 34.58 1pdg s VAL 46 CO 0.27 0.10 0.52 1.67 -3.33 0.00 0.00 175.10 174.33 1pdg n GLN 47 N 4.11 -0.73 -3.87 1.54 7.27 -1.26 -2.34 117.38 122.09 1pdg n GLN 47 Ca -0.27 -0.17 -0.03 0.00 0.07 0.00 0.00 57.00 56.60 1pdg n GLN 47 Cb 0.51 -1.95 0.02 0.00 2.41 0.00 0.00 30.24 31.22 1pdg n GLN 47 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1pdg s ARG 48 N -3.85 1.32 -0.28 3.69 1.81 -1.18 -3.95 118.95 116.50 1pdg s ARG 48 Ca 0.59 -0.84 0.01 0.00 -1.72 0.00 0.00 55.73 53.77 1pdg s ARG 48 Cb -0.20 0.37 0.06 0.00 -0.45 0.00 0.00 34.95 34.73 1pdg s ARG 48 CO 0.65 -0.62 -0.05 0.00 -0.68 0.00 0.00 175.30 174.61 1pdg s SER 50 N 1.17 1.39 0.00 0.00 1.04 -1.21 -4.96 113.70 111.13 1pdg s SER 50 Ca -0.06 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.64 1pdg s SER 50 Cb -0.20 0.00 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1pdg s SER 50 CO -0.04 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1pdg n GLY 51 N 0.86 0.32 3.21 7.32 0.00 -1.25 -2.75 105.19 112.90 1pdg n GLY 51 Ca -0.18 -1.71 -0.16 0.00 0.00 0.00 0.00 46.02 43.97 1pdg n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pdg n ASN 54 N -1.98 0.30 -4.10 0.00 3.02 -1.26 -4.82 115.26 106.42 1pdg n ASN 54 Ca -0.01 0.05 -0.43 0.00 -0.03 0.00 0.00 54.58 54.17 1pdg n ASN 54 Cb 0.20 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 1pdg n ASN 54 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1pdg n ASN 55 N -2.80 4.81 0.00 6.41 5.03 -1.26 -4.87 115.26 122.58 1pdg n ASN 55 Ca -0.02 -2.98 0.00 0.00 0.87 0.00 0.00 54.58 52.45 1pdg n ASN 55 Cb 0.07 -1.59 0.00 0.00 -1.02 0.00 0.00 39.78 37.24 1pdg n ASN 55 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 1pdg n ARG 56 N 5.59 0.00 0.00 3.52 -4.01 -1.26 -2.29 116.66 118.20 1pdg n ARG 56 Ca 0.43 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.24 1pdg n ARG 56 Cb 0.40 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.82 1pdg n ARG 56 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 1pdg n ASN 57 N 0.00 0.94 -4.94 2.89 5.03 -1.26 -5.04 115.26 112.88 1pdg n ASN 57 Ca 0.00 -0.30 -0.25 0.00 0.87 0.00 0.00 54.58 54.91 1pdg n ASN 57 Cb 0.00 0.79 -0.01 0.00 -1.02 0.00 0.00 39.78 39.53 1pdg n ASN 57 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1pdg s VAL 58 N -0.97 5.08 0.05 2.41 1.01 -0.97 -3.48 120.40 123.53 1pdg s VAL 58 Ca 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1pdg s VAL 58 Cb 0.00 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1pdg s VAL 58 CO 0.00 -0.59 -0.01 -1.10 0.00 0.00 0.00 175.10 173.40 1pdg s GLN 59 N -4.34 0.63 -0.92 2.72 -0.21 -0.01 -4.74 119.66 112.79 1pdg s GLN 59 Ca 0.41 -1.19 -0.05 0.00 0.02 0.00 0.00 55.36 54.55 1pdg s GLN 59 Cb -0.10 0.22 0.23 0.00 1.00 0.00 0.00 33.01 34.36 1pdg s GLN 59 CO 0.37 -0.12 0.83 0.00 -2.12 0.00 0.00 175.29 174.25 1pdg s ARG 61 N -1.04 3.06 0.28 0.00 0.52 -1.13 -4.75 118.95 115.88 1pdg s ARG 61 Ca 0.26 -1.01 -0.29 0.00 -0.52 0.00 0.00 55.73 54.17 1pdg s ARG 61 Cb -0.10 -2.68 -0.09 0.00 0.52 0.00 0.00 34.95 32.60 1pdg s ARG 61 CO -0.10 0.29 1.03 -2.14 0.02 0.00 0.00 175.30 174.41 1pdg s PRO 62 N -3.97 4.66 -0.11 3.54 0.02 -1.26 -3.06 135.00 134.82 1pdg s PRO 62 Ca 0.37 1.65 -0.06 0.00 0.02 0.00 0.00 61.00 62.97 1pdg s PRO 62 Cb -0.08 -3.13 -0.02 0.00 0.02 0.00 0.00 34.50 31.29 1pdg s PRO 62 CO 0.27 0.28 -0.12 1.15 -0.33 0.00 0.00 177.00 178.25 1pdg h THR 63 N 3.00 0.00 -3.16 0.99 2.02 -1.34 -3.48 112.91 110.94 1pdg h THR 63 Ca -0.46 -0.79 -0.63 0.00 0.77 0.00 0.00 66.41 65.30 1pdg h THR 63 Cb 1.21 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.49 1pdg h THR 63 CO 0.67 0.00 -0.68 -1.10 0.37 0.00 0.00 175.52 174.77 1pdg s GLN 64 N -1.90 2.33 -0.02 6.66 -0.21 -1.24 -5.01 119.66 120.27 1pdg s GLN 64 Ca -0.10 -1.04 0.01 0.00 0.02 0.00 0.00 55.36 54.25 1pdg s GLN 64 Cb 0.01 -2.37 0.01 0.00 1.00 0.00 0.00 33.01 31.67 1pdg s GLN 64 CO 0.15 0.48 -0.02 0.14 -2.12 0.00 0.00 175.29 173.92 1pdg s VAL 65 N -1.51 0.30 0.96 1.09 -7.23 -1.26 -2.08 120.40 110.66 1pdg s VAL 65 Ca 0.25 -0.06 -0.16 0.00 -1.81 0.00 0.00 61.98 60.20 1pdg s VAL 65 Cb -0.10 -0.32 0.22 0.00 0.56 0.00 0.00 36.38 36.74 1pdg s VAL 65 CO 0.17 0.13 1.26 1.67 -0.31 0.00 0.00 175.10 178.02 1pdg n GLN 66 N 3.61 -1.41 -3.14 4.82 -0.06 0.42 -4.91 117.38 116.71 1pdg n GLN 66 Ca -0.21 -1.95 0.02 0.00 -2.00 0.00 0.00 57.00 52.86 1pdg n GLN 66 Cb 0.54 -1.34 -0.01 0.00 -4.06 0.00 0.00 30.24 25.38 1pdg n GLN 66 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 1pdg s LEU 67 N 0.00 -1.37 -0.23 1.69 2.96 -1.26 -3.56 118.68 116.90 1pdg s LEU 67 Ca 0.72 -0.50 -0.00 0.00 -0.22 0.00 0.00 54.13 54.13 1pdg s LEU 67 Cb -0.02 1.77 0.03 0.00 0.50 0.00 0.00 46.19 48.47 1pdg s LEU 67 CO 0.51 -0.17 -0.10 0.00 -1.32 0.00 0.00 176.35 175.26 1pdg s ARG 68 N 2.08 2.77 -0.21 1.98 1.70 -0.12 -4.95 118.95 122.21 1pdg s ARG 68 Ca 0.15 -1.00 -0.19 0.00 -0.47 0.00 0.00 55.73 54.22 1pdg s ARG 68 Cb -0.04 -2.88 -0.03 0.00 -0.57 0.00 0.00 34.95 31.43 1pdg s ARG 68 CO -0.12 -0.38 0.55 -1.25 -1.08 0.00 0.00 175.30 173.02 1pdg s PRO 69 N 1.28 4.18 -0.05 3.89 0.04 -1.26 0.13 135.00 143.21 1pdg s PRO 69 Ca -0.00 0.47 -0.03 0.00 0.04 0.00 0.00 61.00 61.48 1pdg s PRO 69 Cb -0.16 -3.58 -0.04 0.00 0.04 0.00 0.00 34.50 30.76 1pdg s PRO 69 CO -0.06 -0.21 0.08 0.14 0.04 0.00 0.00 177.00 176.99 1pdg s VAL 70 N 1.82 4.88 -0.02 -0.36 -7.23 0.33 -4.90 120.40 114.92 1pdg s VAL 70 Ca 0.25 -0.19 -0.03 0.00 -1.81 0.00 0.00 61.98 60.20 1pdg s VAL 70 Cb -0.16 -3.16 -0.04 0.00 0.56 0.00 0.00 36.38 33.58 1pdg s VAL 70 CO 0.10 0.48 0.18 0.00 -0.31 0.00 0.00 175.10 175.55 1pdg s GLN 71 N -1.35 3.44 -0.27 4.82 1.03 -1.26 0.13 119.66 126.20 1pdg s GLN 71 Ca 0.19 -0.31 -0.25 0.00 0.04 0.00 0.00 55.36 55.03 1pdg s GLN 71 Cb -0.12 -3.10 0.07 0.00 0.03 0.00 0.00 33.01 29.89 1pdg s GLN 71 CO 0.09 0.68 0.74 0.54 -2.54 0.00 0.00 175.29 174.80 1pdg s VAL 72 N -1.31 0.00 0.73 3.63 0.11 1.21 -4.92 120.40 119.85 1pdg s VAL 72 Ca 0.27 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.18 1pdg s VAL 72 Cb -0.13 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.76 1pdg s VAL 72 CO 0.18 0.00 1.14 0.00 -3.33 0.00 0.00 175.10 173.09 1pdg s ARG 73 N 0.36 2.29 -0.44 1.54 3.03 -1.20 -2.69 118.95 121.85 1pdg s ARG 73 Ca 0.00 1.49 0.06 0.00 2.03 0.00 0.00 55.73 59.31 1pdg s ARG 73 Cb -0.05 -1.88 0.21 0.00 -1.03 0.00 0.00 34.95 32.20 1pdg s ARG 73 CO 0.01 -1.66 0.46 0.36 -1.13 0.00 0.00 175.30 173.34 1pdg n LYS 74 N -2.90 0.69 -1.20 3.89 2.85 -1.24 -2.71 118.16 117.54 1pdg n LYS 74 Ca 0.11 -3.38 -0.41 0.00 -1.05 0.00 0.00 58.31 53.58 1pdg n LYS 74 Cb 0.52 -1.54 -0.02 0.00 -0.65 0.00 0.00 35.03 33.33 1pdg n LYS 74 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1pdg n ILE 75 N 2.00 1.55 -3.20 0.58 2.08 0.03 -3.99 119.36 118.40 1pdg n ILE 75 Ca 0.25 -0.43 0.01 0.00 0.56 0.00 0.00 62.75 63.14 1pdg n ILE 75 Cb 0.49 0.00 -0.01 0.00 -0.75 0.00 0.00 39.64 39.37 1pdg n ILE 75 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1pdg s GLU 76 N -0.87 0.76 -0.59 0.38 -6.30 -1.21 -3.00 118.70 107.87 1pdg s GLU 76 Ca 0.55 -0.10 -0.26 0.00 -2.50 0.00 0.00 54.97 52.66 1pdg s GLU 76 Cb -0.77 0.12 -0.03 0.00 0.00 0.00 0.00 34.13 33.46 1pdg s GLU 76 CO 0.50 -1.16 1.94 0.42 0.02 0.00 0.00 175.26 176.97 1pdg s ILE 77 N 2.05 3.31 -0.23 -3.70 1.01 -1.26 -2.31 121.20 120.06 1pdg s ILE 77 Ca 0.15 0.18 -0.13 0.00 0.00 0.00 0.00 60.65 60.85 1pdg s ILE 77 Cb -0.05 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1pdg s ILE 77 CO -0.11 -0.78 0.26 -0.69 0.00 0.00 0.00 174.94 173.62 1pdg s VAL 78 N 9.50 5.28 -0.05 2.92 1.01 -0.68 -4.62 120.40 133.75 1pdg s VAL 78 Ca 0.71 0.40 -0.02 0.00 0.00 0.00 0.00 61.98 63.08 1pdg s VAL 78 Cb -0.13 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1pdg s VAL 78 CO 0.21 0.29 0.05 -1.14 0.00 0.00 0.00 175.10 174.52 1pdg n ARG 79 N 4.50 -0.14 -2.07 2.72 0.63 -1.26 -2.12 116.66 118.91 1pdg n ARG 79 Ca -0.12 0.09 -0.11 0.00 -0.92 0.00 0.00 57.85 56.79 1pdg n ARG 79 Cb 0.52 -0.17 0.01 0.00 0.45 0.00 0.00 32.46 33.26 1pdg n ARG 79 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1pdg n LYS 80 N -0.35 -0.55 0.00 -0.14 4.76 -1.26 -4.91 118.16 115.71 1pdg n LYS 80 Ca -0.02 0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.79 1pdg n LYS 80 Cb 0.06 -0.62 0.00 0.00 -1.84 0.00 0.00 35.03 32.63 1pdg n LYS 80 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1pdg n LYS 81 N -0.36 0.00 -2.98 1.97 -0.00 -0.90 -5.16 118.16 110.73 1pdg n LYS 81 Ca -0.05 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.84 1pdg n LYS 81 Cb 0.21 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 35.19 1pdg n LYS 81 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1pdg s PRO 82 N 0.00 3.88 -0.51 -1.58 0.04 -1.26 -1.69 135.00 133.88 1pdg s PRO 82 Ca 0.00 0.44 -0.13 0.00 0.04 0.00 0.00 61.00 61.35 1pdg s PRO 82 Cb 0.00 -3.76 0.13 0.00 0.04 0.00 0.00 34.50 30.91 1pdg s PRO 82 CO 0.00 -0.71 0.43 0.42 0.04 0.00 0.00 177.00 177.18 1pdg s ILE 83 N 2.93 4.72 -0.72 0.56 1.01 -0.98 -4.96 121.20 123.76 1pdg s ILE 83 Ca 0.31 -1.66 -0.23 0.00 0.00 0.00 0.00 60.65 59.06 1pdg s ILE 83 Cb -0.14 -4.06 0.07 0.00 0.01 0.00 0.00 42.46 38.33 1pdg s ILE 83 CO 0.14 -0.83 1.07 -0.36 0.00 0.00 0.00 174.94 174.96 1pdg s PHE 84 N 1.45 2.63 0.96 3.97 0.40 -1.26 -3.34 117.98 122.80 1pdg s PHE 84 Ca 0.05 -0.55 -0.16 0.00 -0.60 0.00 0.00 56.93 55.66 1pdg s PHE 84 Cb -0.28 -4.38 0.25 0.00 0.51 0.00 0.00 43.02 39.12 1pdg s PHE 84 CO 0.01 -1.73 0.67 1.17 0.70 0.00 0.00 175.22 176.04 1pdg n LYS 85 N 7.98 -3.43 -4.76 0.44 4.81 -1.26 -4.86 118.16 117.09 1pdg n LYS 85 Ca 0.02 -1.10 -0.25 0.00 -0.87 0.00 0.00 58.31 56.11 1pdg n LYS 85 Cb 0.47 -1.26 -0.16 0.00 0.02 0.00 0.00 35.03 34.10 1pdg n LYS 85 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1pdg s LYS 86 N -4.57 1.62 0.13 1.64 2.20 -1.26 -3.72 119.74 115.78 1pdg s LYS 86 Ca 0.48 -0.56 -0.16 0.00 -0.36 0.00 0.00 55.97 55.38 1pdg s LYS 86 Cb -0.07 -1.43 0.03 0.00 -1.51 0.00 0.00 37.83 34.85 1pdg s LYS 86 CO 0.39 0.23 0.40 0.00 -0.36 0.00 0.00 175.35 176.01 1pdg s ALA 87 N 0.03 -0.86 -0.04 3.13 0.00 -1.09 -4.98 121.76 117.95 1pdg s ALA 87 Ca -0.03 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 51.84 1pdg s ALA 87 Cb -0.11 0.71 -0.00 0.00 0.00 0.00 0.00 23.12 23.72 1pdg s ALA 87 CO 0.02 -0.66 -0.17 0.95 0.00 0.00 0.00 175.76 175.90 1pdg s THR 88 N -3.82 1.39 -0.12 0.00 -4.23 -1.26 0.38 115.64 107.98 1pdg s THR 88 Ca 0.04 -0.71 0.01 0.00 -1.18 0.00 0.00 61.69 59.86 1pdg s THR 88 Cb 0.02 -1.19 -0.01 0.00 1.34 0.00 0.00 72.50 72.65 1pdg s THR 88 CO -0.10 0.40 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.52 1pdg s VAL 89 N -0.02 2.70 -0.35 2.29 1.01 0.34 -4.96 120.40 121.41 1pdg s VAL 89 Ca -0.02 -0.79 -0.22 0.00 0.00 0.00 0.00 61.98 60.95 1pdg s VAL 89 Cb -0.11 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1pdg s VAL 89 CO 0.02 0.54 0.72 -0.89 0.00 0.00 0.00 175.10 175.48 1pdg s THR 90 N 0.35 4.82 0.08 3.92 2.01 -1.26 0.12 115.64 125.69 1pdg s THR 90 Ca -0.14 0.81 -0.07 0.00 0.31 0.00 0.00 61.69 62.61 1pdg s THR 90 Cb -0.17 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.16 1pdg s THR 90 CO 0.07 -0.34 0.35 -0.76 -0.69 0.00 0.00 174.62 173.25 1pdg s LEU 91 N 2.89 4.32 -0.12 4.42 1.43 0.35 -4.91 118.68 127.07 1pdg s LEU 91 Ca 0.28 0.63 -0.02 0.00 -1.03 0.00 0.00 54.13 53.99 1pdg s LEU 91 Cb -0.14 -3.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.04 1pdg s LEU 91 CO 0.15 0.15 -0.06 -0.70 0.23 0.00 0.00 176.35 176.12 1pdg s GLU 92 N -2.17 3.34 -0.26 1.70 2.12 -1.26 -0.95 118.70 121.22 1pdg s GLU 92 Ca 0.34 -0.55 0.01 0.00 0.36 0.00 0.00 54.97 55.14 1pdg s GLU 92 Cb -0.13 -2.78 0.07 0.00 0.26 0.00 0.00 34.13 31.55 1pdg s GLU 92 CO 0.20 0.38 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.77 1pdg s ASP 93 N -0.03 4.04 0.28 -1.70 1.01 -1.23 -4.63 116.67 114.42 1pdg s ASP 93 Ca 0.00 -1.39 -0.29 0.00 0.71 0.00 0.00 52.55 51.58 1pdg s ASP 93 Cb -0.13 -1.23 -0.10 0.00 1.01 0.00 0.00 42.92 42.46 1pdg s ASP 93 CO 0.03 -0.28 1.39 -1.00 0.21 0.00 0.00 175.17 175.53 1pdg s HIS 94 N 1.33 3.01 0.00 4.23 3.76 -1.25 0.16 115.29 126.52 1pdg s HIS 94 Ca -0.02 1.17 0.00 0.00 -0.15 0.00 0.00 55.06 56.07 1pdg s HIS 94 Cb -0.19 -3.78 0.00 0.00 1.11 0.00 0.00 32.58 29.73 1pdg s HIS 94 CO -0.09 -2.38 0.88 1.28 -0.85 0.00 0.00 174.74 173.58 1pdg n LEU 95 N 1.72 1.75 -3.65 0.89 4.32 -0.88 -4.31 117.00 116.83 1pdg n LEU 95 Ca 0.04 -1.75 -0.02 0.00 -0.02 0.00 0.00 56.01 54.27 1pdg n LEU 95 Cb 0.41 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.16 1pdg n LEU 95 CO 0.60 0.44 1.18 0.00 -1.22 0.00 0.00 177.39 178.39 1pdg s ALA 96 N -0.76 -2.15 0.24 -1.18 0.00 -1.25 -4.88 121.76 111.78 1pdg s ALA 96 Ca 0.00 1.87 0.03 0.00 0.00 0.00 0.00 51.96 53.86 1pdg s ALA 96 Cb 0.00 -1.61 -0.01 0.00 0.00 0.00 0.00 23.12 21.50 1pdg s ALA 96 CO 0.00 -0.21 0.25 0.00 0.00 0.00 0.00 175.76 175.80 1pdg n LYS 98 N -0.44 0.00 -0.34 0.00 3.00 -1.17 -4.78 118.16 114.42 1pdg n LYS 98 Ca 0.04 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.14 1pdg n LYS 98 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.41 1pdg n LYS 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pdg s GLU 100 N 5.46 1.72 -1.03 0.00 2.02 0.55 -4.57 118.70 122.85 1pdg s GLU 100 Ca 0.32 1.81 -0.20 0.00 0.02 0.00 0.00 54.97 56.91 1pdg s GLU 100 Cb 0.07 -1.78 0.09 0.00 0.10 0.00 0.00 34.13 32.61 1pdg s GLU 100 CO 0.12 -2.17 1.36 0.95 0.02 0.00 0.00 175.26 175.55 1pdg s THR 101 N -2.05 4.30 -2.00 3.63 -4.23 -1.26 -0.83 115.64 113.20 1pdg s THR 101 Ca 0.75 -1.29 0.08 0.00 -1.18 0.00 0.00 61.69 60.04 1pdg s THR 101 Cb -0.30 -4.97 0.22 0.00 1.34 0.00 0.00 72.50 68.79 1pdg s THR 101 CO 0.49 -1.78 0.91 0.55 -0.54 0.00 0.00 174.62 174.26