#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q3v h LYS 20 N 0.00 0.24 -0.61 1.64 1.57 -2.03 -1.83 116.57 115.55 2q3v h LYS 20 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2q3v h LYS 20 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2q3v h LYS 20 CO 0.00 0.16 0.00 0.27 -0.57 0.00 0.00 179.45 179.31 2q3v n ASN 21 N -4.45 5.46 -4.74 0.86 6.94 -1.26 -4.92 115.26 113.14 2q3v n ASN 21 Ca 0.08 -2.79 -0.36 0.00 -0.02 0.00 0.00 54.58 51.49 2q3v n ASN 21 Cb 0.39 -0.66 -0.07 0.00 -2.36 0.00 0.00 39.78 37.08 2q3v n ASN 21 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 2q3v s ARG 22 N -2.49 4.20 -0.27 -3.83 3.52 -0.69 -1.34 118.95 118.04 2q3v s ARG 22 Ca 0.54 0.09 -0.03 0.00 -0.13 0.00 0.00 55.73 56.20 2q3v s ARG 22 Cb 0.39 -3.40 0.03 0.00 -1.56 0.00 0.00 34.95 30.41 2q3v s ARG 22 CO 0.18 0.29 -0.01 0.42 -0.81 0.00 0.00 175.30 175.38 2q3v s ILE 23 N 0.31 3.17 0.01 4.11 1.01 0.87 -4.95 121.20 125.73 2q3v s ILE 23 Ca 0.16 -1.04 -0.17 0.00 0.00 0.00 0.00 60.65 59.60 2q3v s ILE 23 Cb -0.13 -2.67 -0.06 0.00 0.01 0.00 0.00 42.46 39.61 2q3v s ILE 23 CO 0.04 0.09 0.49 -1.58 0.00 0.00 0.00 174.94 173.98 2q3v s GLN 24 N 1.35 4.12 -0.56 2.79 0.74 -1.26 -1.46 119.66 125.38 2q3v s GLN 24 Ca -0.01 0.57 -0.04 0.00 0.05 0.00 0.00 55.36 55.93 2q3v s GLN 24 Cb -0.18 -3.27 0.15 0.00 1.10 0.00 0.00 33.01 30.81 2q3v s GLN 24 CO -0.02 0.57 0.39 0.08 -0.55 0.00 0.00 175.29 175.76 2q3v s VAL 25 N -0.78 3.77 0.00 1.34 1.01 -0.46 -4.84 120.40 120.44 2q3v s VAL 25 Ca 0.27 -2.55 0.00 0.00 0.00 0.00 0.00 61.98 59.70 2q3v s VAL 25 Cb -0.18 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.72 2q3v s VAL 25 CO 0.15 -0.83 0.00 -1.54 0.00 0.00 0.00 175.10 172.89 2q3v n SER 26 N 3.98 2.01 -4.62 3.32 3.41 -1.26 -4.58 113.62 115.88 2q3v n SER 26 Ca 0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.22 2q3v n SER 26 Cb 0.40 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.32 2q3v n SER 26 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2q3v s ASN 27 N -3.93 6.02 0.00 4.04 3.84 -1.26 -4.90 114.94 118.75 2q3v s ASN 27 Ca 0.00 1.89 0.27 0.00 0.21 0.00 0.00 52.86 55.23 2q3v s ASN 27 Cb 0.00 -2.52 1.29 0.00 -0.55 0.00 0.00 41.25 39.46 2q3v s ASN 27 CO 0.00 -1.51 1.90 0.35 -2.79 0.00 0.00 177.10 175.05 2q3v n THR 28 N 6.81 0.14 0.47 -5.21 -2.24 -1.26 -3.31 114.28 109.68 2q3v n THR 28 Ca 0.23 0.04 0.04 0.00 -2.27 0.00 0.00 64.05 62.09 2q3v n THR 28 Cb 0.44 -0.59 0.17 0.00 -2.10 0.00 0.00 70.33 68.26 2q3v n THR 28 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2q3v n LYS 29 N -1.36 2.37 -4.20 -0.78 5.02 -1.26 -4.91 118.16 113.04 2q3v n LYS 29 Ca 0.11 -1.35 -0.35 0.00 -2.02 0.00 0.00 58.31 54.70 2q3v n LYS 29 Cb 0.25 -1.61 -0.09 0.00 -0.02 0.00 0.00 35.03 33.57 2q3v n LYS 29 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2q3v s LYS 30 N -1.70 3.22 0.57 1.97 -0.14 -1.21 -5.09 119.74 117.36 2q3v s LYS 30 Ca 0.24 -0.32 -0.19 0.00 -1.36 0.00 0.00 55.97 54.34 2q3v s LYS 30 Cb 0.16 -2.95 -0.05 0.00 -1.68 0.00 0.00 37.83 33.31 2q3v s LYS 30 CO 0.11 0.68 1.13 -2.14 -0.76 0.00 0.00 175.35 174.36 2q3v s PRO 31 N -0.79 3.24 0.27 -1.68 0.02 -1.26 -4.89 135.00 129.91 2q3v s PRO 31 Ca 0.12 1.58 0.00 0.00 0.02 0.00 0.00 61.00 62.72 2q3v s PRO 31 Cb -0.12 -1.99 0.61 0.00 0.02 0.00 0.00 34.50 33.02 2q3v s PRO 31 CO 0.03 -0.93 1.71 1.25 -0.33 0.00 0.00 177.00 178.72 2q3v h LEU 32 N 0.97 0.29 -1.05 -5.54 5.85 -1.99 -1.20 115.31 112.64 2q3v h LEU 32 Ca -0.49 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2q3v h LEU 32 Cb 1.26 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.41 2q3v h LEU 32 CO 0.56 0.04 0.00 0.49 -0.34 0.00 0.00 178.44 179.20 2q3v n PHE 33 N -5.03 0.66 -0.09 1.25 3.01 -1.26 -1.42 117.46 114.58 2q3v n PHE 33 Ca 0.19 0.32 -0.11 0.00 1.01 0.00 0.00 57.45 58.85 2q3v n PHE 33 Cb 0.55 -1.01 -0.04 0.00 -0.01 0.00 0.00 39.48 38.97 2q3v n PHE 33 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 2q3v h PHE 34 N 0.00 0.49 -0.24 1.38 3.57 -1.57 0.15 116.94 120.72 2q3v h PHE 34 Ca 0.00 -0.08 -0.20 0.00 3.53 0.00 0.00 57.97 61.22 2q3v h PHE 34 Cb 0.11 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.72 2q3v h PHE 34 CO 0.00 0.58 -0.64 1.88 -2.23 0.00 0.00 178.31 177.91 2q3v h TYR 35 N 0.25 1.10 -0.44 0.41 0.05 -1.37 -1.34 116.97 115.63 2q3v h TYR 35 Ca 0.08 -0.43 -0.01 0.00 0.05 0.00 0.00 58.73 58.42 2q3v h TYR 35 Cb 0.37 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.90 2q3v h TYR 35 CO 0.03 1.26 0.22 0.28 -1.05 0.00 0.00 178.16 178.90 2q3v h VAL 36 N 0.63 1.17 -0.04 -2.88 2.07 -1.46 -0.92 116.25 114.82 2q3v h VAL 36 Ca -0.01 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.04 2q3v h VAL 36 Cb 1.25 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2q3v h VAL 36 CO 0.14 0.19 -0.00 0.78 0.02 0.00 0.00 177.57 178.69 2q3v h ASN 37 N 0.57 -0.02 -0.13 0.57 2.35 -0.90 -2.35 115.58 115.67 2q3v h ASN 37 Ca 0.15 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.93 2q3v h ASN 37 Cb 0.09 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 2q3v h ASN 37 CO -0.02 -0.00 0.02 0.25 -1.65 0.00 0.00 177.43 176.02 2q3v h LEU 38 N 0.01 -0.01 -0.85 1.61 5.85 -1.02 -0.58 115.31 120.33 2q3v h LEU 38 Ca 0.02 0.02 0.21 0.00 0.84 0.00 0.00 57.88 58.97 2q3v h LEU 38 Cb 0.02 0.03 -0.15 0.00 0.37 0.00 0.00 40.66 40.93 2q3v h LEU 38 CO -0.03 0.02 0.04 0.00 -0.34 0.00 0.00 178.44 178.12 2q3v h ALA 39 N 1.09 0.97 -0.19 1.25 0.00 -0.97 0.79 119.26 122.20 2q3v h ALA 39 Ca 0.06 0.27 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 2q3v h ALA 39 Cb 0.05 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2q3v h ALA 39 CO -0.08 -0.47 -0.19 0.87 0.00 0.00 0.00 179.25 179.38 2q3v h LYS 40 N 0.09 0.46 -0.86 0.00 1.57 -0.81 -3.06 116.57 113.96 2q3v h LYS 40 Ca 0.49 -0.25 0.01 0.00 -1.87 0.00 0.00 60.65 59.03 2q3v h LYS 40 Cb 0.93 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.21 2q3v h LYS 40 CO -0.75 0.82 0.56 0.00 -0.57 0.00 0.00 179.45 179.50 2q3v h ARG 41 N 0.12 1.14 -1.91 3.15 2.47 0.92 -1.71 114.38 118.57 2q3v h ARG 41 Ca 0.03 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 2q3v h ARG 41 Cb 0.74 -0.25 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 2q3v h ARG 41 CO 0.05 0.77 0.00 0.66 0.56 0.00 0.00 179.97 182.00 2q3v n TYR 42 N -4.47 0.00 0.00 3.04 4.02 0.24 -3.10 117.16 116.89 2q3v n TYR 42 Ca 0.09 -0.14 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 2q3v n TYR 42 Cb 0.02 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.13 2q3v n TYR 42 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2q3v n GLN 44 N 1.41 0.00 0.10 -0.72 6.02 -0.64 -1.23 117.38 122.32 2q3v n GLN 44 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 2q3v n GLN 44 Cb 0.10 0.00 0.10 0.00 1.02 0.00 0.00 30.24 31.46 2q3v n GLN 44 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 2q3v h GLN 45 N 0.00 0.00 0.00 -1.09 3.07 -1.85 -3.38 115.11 111.86 2q3v h GLN 45 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2q3v h GLN 45 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2q3v h GLN 45 CO 0.00 0.00 -0.53 0.66 0.09 0.00 0.00 178.83 179.05 2q3v n TYR 46 N -2.46 0.00 0.00 0.06 0.53 -0.36 -5.00 117.16 109.92 2q3v n TYR 46 Ca 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.90 2q3v n TYR 46 Cb 0.50 -0.01 0.00 0.00 -1.03 0.00 0.00 39.34 38.79 2q3v n TYR 46 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 2q3v n ASN 47 N -1.27 0.00 -4.27 7.72 3.02 -1.24 -4.86 115.26 114.36 2q3v n ASN 47 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.23 2q3v n ASN 47 Cb 0.02 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.03 2q3v n ASN 47 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 2q3v s ASP 48 N 0.00 3.21 0.00 6.41 3.84 -1.26 -2.90 116.67 125.98 2q3v s ASP 48 Ca 0.00 -0.50 0.08 0.00 -0.00 0.00 0.00 52.55 52.14 2q3v s ASP 48 Cb 0.00 -1.12 -0.02 0.00 -1.38 0.00 0.00 42.92 40.39 2q3v s ASP 48 CO 0.00 0.21 -0.26 0.54 -0.00 0.00 0.00 175.17 175.66 2q3v s VAL 49 N 0.04 2.09 -0.09 2.11 0.11 -0.47 -4.88 120.40 119.31 2q3v s VAL 49 Ca -0.09 -1.21 -0.02 0.00 -2.93 0.00 0.00 61.98 57.73 2q3v s VAL 49 Cb -0.15 -1.75 -0.03 0.00 -1.53 0.00 0.00 36.38 32.91 2q3v s VAL 49 CO 0.06 0.50 -0.02 -1.61 -3.33 0.00 0.00 175.10 170.69 2q3v s GLU 50 N -0.85 3.05 -0.06 1.54 2.02 -0.45 -1.07 118.70 122.88 2q3v s GLU 50 Ca 0.11 -0.46 0.04 0.00 0.02 0.00 0.00 54.97 54.68 2q3v s GLU 50 Cb -0.10 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.36 2q3v s GLU 50 CO 0.00 0.61 -0.19 -0.51 0.02 0.00 0.00 175.26 175.20 2q3v s LEU 51 N -0.64 1.91 0.04 1.80 1.43 -0.32 -0.09 118.68 122.81 2q3v s LEU 51 Ca 0.10 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 2q3v s LEU 51 Cb -0.12 -1.09 -0.03 0.00 0.03 0.00 0.00 46.19 44.98 2q3v s LEU 51 CO 0.02 0.14 -0.02 -0.94 0.23 0.00 0.00 176.35 175.78 2q3v s SER 52 N 0.23 0.39 -0.05 2.29 1.04 -0.53 -0.81 113.70 116.25 2q3v s SER 52 Ca -0.10 -0.81 -0.30 0.00 0.48 0.00 0.00 55.95 55.23 2q3v s SER 52 Cb -0.14 0.17 0.11 0.00 0.10 0.00 0.00 66.02 66.26 2q3v s SER 52 CO 0.04 -0.50 0.93 0.00 0.98 0.00 0.00 173.24 174.70 2q3v s ALA 53 N -3.04 -1.86 0.13 5.32 0.00 -1.02 -1.36 121.76 119.92 2q3v s ALA 53 Ca -0.01 1.19 0.07 0.00 0.00 0.00 0.00 51.96 53.20 2q3v s ALA 53 Cb 0.02 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 2q3v s ALA 53 CO -0.07 -0.60 -0.07 -0.51 0.00 0.00 0.00 175.76 174.51 2q3v s LEU 54 N -2.15 3.12 0.00 0.00 1.43 -1.26 -1.58 118.68 118.24 2q3v s LEU 54 Ca 0.04 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 2q3v s LEU 54 Cb -0.01 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.34 2q3v s LEU 54 CO -0.06 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.28 2q3v n GLY 55 N 0.45 0.00 0.87 -3.19 0.00 -1.15 -3.47 105.19 98.71 2q3v n GLY 55 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2q3v n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q3v n ALA 57 N 0.00 0.00 -0.34 4.61 0.00 -1.26 -4.35 120.51 119.17 2q3v n ALA 57 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2q3v n ALA 57 Cb 0.00 0.00 0.35 0.00 0.00 0.00 0.00 19.45 19.80 2q3v n ALA 57 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2q3v h ILE 58 N 0.00 0.70 -0.98 0.00 2.04 -1.82 0.12 117.51 117.58 2q3v h ILE 58 Ca 0.00 -0.24 0.16 0.00 1.00 0.00 0.00 64.86 65.78 2q3v h ILE 58 Cb 0.00 -0.07 -0.10 0.00 -0.74 0.00 0.00 36.82 35.91 2q3v h ILE 58 CO 0.00 0.13 0.59 0.00 0.00 0.00 0.00 178.15 178.87 2q3v h ALA 59 N 1.64 1.55 -0.34 1.87 0.00 -1.93 -1.78 119.26 120.27 2q3v h ALA 59 Ca 0.56 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.40 2q3v h ALA 59 Cb 0.95 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2q3v h ALA 59 CO -0.35 0.03 -0.32 1.15 0.00 0.00 0.00 179.25 179.76 2q3v h THR 60 N 0.81 1.29 -0.78 0.00 2.02 -1.14 -2.25 112.91 112.86 2q3v h THR 60 Ca 0.54 -1.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.22 2q3v h THR 60 Cb 0.73 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 68.58 2q3v h THR 60 CO -0.34 0.49 0.45 0.58 0.37 0.00 0.00 175.52 177.06 2q3v h VAL 61 N 0.60 1.23 -0.31 3.16 2.07 -1.11 -0.42 116.25 121.47 2q3v h VAL 61 Ca 0.06 -0.53 -0.07 0.00 0.82 0.00 0.00 66.70 66.97 2q3v h VAL 61 Cb 0.90 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2q3v h VAL 61 CO 0.08 0.24 -0.07 0.58 0.02 0.00 0.00 177.57 178.42 2q3v h VAL 62 N 1.07 1.28 -0.54 2.57 2.07 -1.37 -1.98 116.25 119.35 2q3v h VAL 62 Ca 0.28 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 2q3v h VAL 62 Cb 0.00 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 2q3v h VAL 62 CO -0.05 0.36 0.28 0.74 0.02 0.00 0.00 177.57 178.92 2q3v h THR 63 N 0.37 1.19 -0.95 2.57 2.02 -1.14 0.29 112.91 117.26 2q3v h THR 63 Ca 0.08 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 2q3v h THR 63 Cb 0.56 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 2q3v h THR 63 CO 0.03 0.21 0.58 0.58 0.37 0.00 0.00 175.52 177.30 2q3v h VAL 64 N 0.73 1.26 -0.66 3.16 2.07 -1.04 -0.74 116.25 121.02 2q3v h VAL 64 Ca 0.19 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 2q3v h VAL 64 Cb 0.09 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 2q3v h VAL 64 CO -0.03 0.27 0.11 0.74 0.02 0.00 0.00 177.57 178.68 2q3v h THR 65 N 1.31 1.26 -0.59 2.57 2.02 -0.77 -0.79 112.91 117.92 2q3v h THR 65 Ca 0.34 -1.03 -0.09 0.00 0.77 0.00 0.00 66.41 66.40 2q3v h THR 65 Cb -0.07 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 2q3v h THR 65 CO -0.07 0.39 0.03 -0.33 0.37 0.00 0.00 175.52 175.91 2q3v h GLU 66 N 1.02 1.03 -0.27 6.66 5.08 -0.01 -1.95 114.58 126.13 2q3v h GLU 66 Ca 0.20 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2q3v h GLU 66 Cb 0.44 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2q3v h GLU 66 CO 0.01 1.00 0.06 0.82 -1.00 0.00 0.00 179.01 179.91 2q3v h ILE 67 N 0.92 1.22 -0.02 3.13 2.04 -0.98 0.24 117.51 124.07 2q3v h ILE 67 Ca 0.17 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.26 2q3v h ILE 67 Cb 0.52 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 2q3v h ILE 67 CO 0.02 0.23 -0.26 -0.07 0.00 0.00 0.00 178.15 178.07 2q3v h LEU 68 N 0.27 0.03 0.00 1.44 3.38 -1.06 0.02 115.31 119.40 2q3v h LEU 68 Ca 0.09 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2q3v h LEU 68 Cb 0.29 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2q3v h LEU 68 CO 0.00 0.30 -0.00 0.11 0.09 0.00 0.00 178.44 178.94 2q3v h LYS 69 N 0.03 -0.00 0.00 1.13 1.79 -1.22 0.71 116.57 119.01 2q3v h LYS 69 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2q3v h LYS 69 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 2q3v h LYS 69 CO 0.04 0.93 0.00 -0.91 -1.08 0.00 0.00 179.45 178.42 2q3v h ASN 70 N -0.97 0.00 -0.19 0.86 2.35 -0.32 -2.67 115.58 114.64 2q3v h ASN 70 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2q3v h ASN 70 Cb 0.93 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.30 2q3v h ASN 70 CO 0.00 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.37 2q3v n ASN 71 N -2.34 3.10 -1.12 5.81 3.02 -0.02 -5.01 115.26 118.69 2q3v n ASN 71 Ca 0.00 -2.69 -0.09 0.00 -0.03 0.00 0.00 54.58 51.77 2q3v n ASN 71 Cb 0.15 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 2q3v n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q3v n GLY 72 N -0.50 0.04 0.00 7.41 0.00 -1.01 -4.97 105.19 106.16 2q3v n GLY 72 Ca 0.15 -0.48 0.07 0.00 0.00 0.00 0.00 46.02 45.76 2q3v n GLY 72 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2q3v n PHE 73 N -3.95 0.00 -3.98 1.61 3.72 0.20 -3.78 117.46 111.28 2q3v n PHE 73 Ca -0.09 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.22 2q3v n PHE 73 Cb 0.57 -0.24 -0.08 0.00 -0.94 0.00 0.00 39.48 38.79 2q3v n PHE 73 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2q3v s ALA 74 N -2.83 0.14 -0.09 4.37 0.00 -0.96 -2.96 121.76 119.43 2q3v s ALA 74 Ca -0.03 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2q3v s ALA 74 Cb 0.10 0.69 0.02 0.00 0.00 0.00 0.00 23.12 23.93 2q3v s ALA 74 CO 0.59 -0.55 -0.09 0.08 0.00 0.00 0.00 175.76 175.80 2q3v s VAL 75 N -3.95 1.03 0.23 0.00 1.01 0.89 -4.59 120.40 115.02 2q3v s VAL 75 Ca 0.14 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.48 2q3v s VAL 75 Cb 0.05 -1.01 -0.09 0.00 0.00 0.00 0.00 36.38 35.33 2q3v s VAL 75 CO -0.04 0.36 0.99 -1.83 0.00 0.00 0.00 175.10 174.57 2q3v s GLU 76 N 1.35 4.77 -0.14 2.72 1.03 -1.26 -0.21 118.70 126.96 2q3v s GLU 76 Ca -0.02 1.57 -0.02 0.00 0.03 0.00 0.00 54.97 56.53 2q3v s GLU 76 Cb -0.14 -3.27 -0.08 0.00 -0.80 0.00 0.00 34.13 29.84 2q3v s GLU 76 CO -0.04 0.38 -0.14 1.17 -1.33 0.00 0.00 175.26 175.30 2q3v n LYS 77 N 1.67 0.33 -3.81 -4.83 4.81 0.41 -4.92 118.16 111.82 2q3v n LYS 77 Ca -0.01 0.10 -0.13 0.00 -0.87 0.00 0.00 58.31 57.40 2q3v n LYS 77 Cb 0.47 -1.19 -0.14 0.00 0.02 0.00 0.00 35.03 34.19 2q3v n LYS 77 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2q3v s LYS 78 N -2.27 0.08 0.23 1.64 2.20 -0.97 -4.97 119.74 115.68 2q3v s LYS 78 Ca -0.19 0.19 0.02 0.00 -0.36 0.00 0.00 55.97 55.63 2q3v s LYS 78 Cb 0.06 -0.05 -0.05 0.00 -1.51 0.00 0.00 37.83 36.28 2q3v s LYS 78 CO 0.29 -0.07 0.06 0.42 -0.36 0.00 0.00 175.35 175.69 2q3v s ILE 79 N 0.46 0.63 0.00 5.43 1.01 -1.26 0.15 121.20 127.63 2q3v s ILE 79 Ca -0.03 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.62 2q3v s ILE 79 Cb -0.05 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 39.97 2q3v s ILE 79 CO -0.02 -0.17 0.00 0.41 0.00 0.00 0.00 174.94 175.16 2q3v n THR 81 N -0.39 0.00 -3.49 2.92 -1.04 -1.26 -4.98 114.28 106.04 2q3v n THR 81 Ca -0.02 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.89 2q3v n THR 81 Cb 0.65 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.14 2q3v n THR 81 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2q3v s SER 82 N 0.00 -0.41 -0.00 8.00 1.04 -0.64 -4.97 113.70 116.72 2q3v s SER 82 Ca 0.00 0.01 -0.22 0.00 0.48 0.00 0.00 55.95 56.22 2q3v s SER 82 Cb 0.00 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.49 2q3v s SER 82 CO 0.00 -0.68 0.66 -0.63 0.98 0.00 0.00 173.24 173.57 2q3v s ILE 83 N -3.18 4.89 0.38 -1.02 -1.09 -1.26 -0.02 121.20 119.90 2q3v s ILE 83 Ca 0.04 1.38 0.06 0.00 -2.23 0.00 0.00 60.65 59.90 2q3v s ILE 83 Cb -0.01 -4.00 -0.07 0.00 -1.58 0.00 0.00 42.46 36.80 2q3v s ILE 83 CO -0.09 0.37 0.02 0.68 -1.23 0.00 0.00 174.94 174.69 2q3v s VAL 84 N 0.02 1.78 -0.15 2.92 -7.23 0.59 -4.95 120.40 113.38 2q3v s VAL 84 Ca 0.34 -2.01 -0.13 0.00 -1.81 0.00 0.00 61.98 58.37 2q3v s VAL 84 Cb -0.19 -2.92 -0.05 0.00 0.56 0.00 0.00 36.38 33.79 2q3v s VAL 84 CO 0.19 -0.01 0.28 -1.81 -0.31 0.00 0.00 175.10 173.44 2q3v s ASP 85 N -3.64 6.45 -0.17 4.85 1.01 -1.26 -2.28 116.67 121.62 2q3v s ASP 85 Ca 0.35 0.53 0.00 0.00 0.71 0.00 0.00 52.55 54.14 2q3v s ASP 85 Cb 0.09 -2.17 0.01 0.00 1.01 0.00 0.00 42.92 41.85 2q3v s ASP 85 CO 0.17 0.14 -0.16 -0.63 0.21 0.00 0.00 175.17 174.91 2q3v s ILE 86 N 0.23 2.53 -0.42 0.77 -1.09 -0.11 -4.97 121.20 118.14 2q3v s ILE 86 Ca 0.16 -0.80 -0.27 0.00 -2.23 0.00 0.00 60.65 57.52 2q3v s ILE 86 Cb -0.13 -2.08 -0.06 0.00 -1.58 0.00 0.00 42.46 38.61 2q3v s ILE 86 CO 0.04 0.51 2.36 -0.75 -1.23 0.00 0.00 174.94 175.88 2q3v s LYS 87 N 1.08 2.35 0.16 2.79 2.20 -1.26 -1.24 119.74 125.82 2q3v s LYS 87 Ca -0.00 1.57 -0.14 0.00 -0.36 0.00 0.00 55.97 57.03 2q3v s LYS 87 Cb -0.14 -4.53 0.02 0.00 -1.51 0.00 0.00 37.83 31.66 2q3v s LYS 87 CO -0.05 -2.99 0.41 -1.25 -0.36 0.00 0.00 175.35 171.11 2q3v s PRO 94 N 7.79 1.21 0.27 4.03 0.04 -1.26 -5.17 135.00 141.90 2q3v s PRO 94 Ca 0.98 -0.90 0.06 0.00 0.04 0.00 0.00 61.00 61.18 2q3v s PRO 94 Cb -0.21 0.46 -0.02 0.00 0.04 0.00 0.00 34.50 34.77 2q3v s PRO 94 CO 0.28 -0.48 0.37 0.14 0.04 0.00 0.00 177.00 177.36 2q3v s VAL 95 N -3.88 4.74 -0.10 -0.36 -7.23 -0.38 -5.10 120.40 108.10 2q3v s VAL 95 Ca 0.09 -1.05 -0.02 0.00 -1.81 0.00 0.00 61.98 59.18 2q3v s VAL 95 Cb 0.01 -3.65 -0.03 0.00 0.56 0.00 0.00 36.38 33.27 2q3v s VAL 95 CO -0.05 -0.27 -0.00 -1.10 -0.31 0.00 0.00 175.10 173.36 2q3v s GLN 96 N -4.02 3.15 -0.04 4.82 -0.21 -1.26 -0.93 119.66 121.16 2q3v s GLN 96 Ca 0.37 -0.42 -0.12 0.00 0.02 0.00 0.00 55.36 55.21 2q3v s GLN 96 Cb -0.09 -2.84 0.02 0.00 1.00 0.00 0.00 33.01 31.11 2q3v s GLN 96 CO 0.29 0.60 0.28 0.15 -2.12 0.00 0.00 175.29 174.50 2q3v s LYS 97 N -0.61 0.54 0.58 2.91 -0.14 -0.97 -4.99 119.74 117.07 2q3v s LYS 97 Ca 0.10 -0.04 -0.15 0.00 -1.36 0.00 0.00 55.97 54.52 2q3v s LYS 97 Cb -0.12 0.24 -0.05 0.00 -1.68 0.00 0.00 37.83 36.23 2q3v s LYS 97 CO 0.02 -0.13 1.04 0.00 -0.76 0.00 0.00 175.35 175.52 2q3v s ALA 98 N -0.88 2.84 -0.07 5.17 0.00 -1.26 -0.30 121.76 127.25 2q3v s ALA 98 Ca -0.10 0.30 -0.03 0.00 0.00 0.00 0.00 51.96 52.13 2q3v s ALA 98 Cb -0.05 -3.19 0.04 0.00 0.00 0.00 0.00 23.12 19.92 2q3v s ALA 98 CO 0.03 -0.67 0.16 0.21 0.00 0.00 0.00 175.76 175.49 2q3v s LYS 99 N -4.17 0.11 0.03 0.00 2.20 0.97 -2.94 119.74 115.95 2q3v s LYS 99 Ca 0.62 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 56.62 2q3v s LYS 99 Cb -0.14 -0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 35.98 2q3v s LYS 99 CO 0.37 -0.16 0.12 -1.50 -0.36 0.00 0.00 175.35 173.82 2q3v s ILE 100 N 1.16 4.90 -0.26 5.43 1.10 -0.62 -1.62 121.20 131.30 2q3v s ILE 100 Ca -0.09 -0.46 -0.02 0.00 -0.51 0.00 0.00 60.65 59.57 2q3v s ILE 100 Cb -0.11 -3.31 0.12 0.00 0.15 0.00 0.00 42.46 39.32 2q3v s ILE 100 CO -0.06 0.25 0.30 -1.61 -2.11 0.00 0.00 174.94 171.71 2q3v s GLU 101 N -2.08 0.30 0.06 3.50 2.02 -1.26 -2.42 118.70 118.82 2q3v s GLU 101 Ca 0.27 0.12 0.04 0.00 0.02 0.00 0.00 54.97 55.42 2q3v s GLU 101 Cb -0.12 -0.76 -0.04 0.00 0.10 0.00 0.00 34.13 33.31 2q3v s GLU 101 CO 0.19 -0.84 -0.02 0.42 0.02 0.00 0.00 175.26 175.03 2q3v s ILE 102 N 2.40 3.94 -0.11 -1.63 1.01 0.01 -4.08 121.20 122.75 2q3v s ILE 102 Ca 0.09 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.86 2q3v s ILE 102 Cb -0.15 -2.83 0.02 0.00 0.01 0.00 0.00 42.46 39.51 2q3v s ILE 102 CO -0.23 0.21 -0.15 -0.89 0.00 0.00 0.00 174.94 173.88 2q3v s THR 103 N -1.21 1.46 0.15 2.92 2.01 0.41 -1.18 115.64 120.20 2q3v s THR 103 Ca 0.23 -0.62 0.10 0.00 0.31 0.00 0.00 61.69 61.71 2q3v s THR 103 Cb -0.12 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 2q3v s THR 103 CO 0.15 0.43 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.57 2q3v s LEU 104 N 1.02 2.65 0.40 4.42 1.43 -0.23 -0.44 118.68 127.93 2q3v s LEU 104 Ca -0.06 -0.67 0.04 0.00 -1.03 0.00 0.00 54.13 52.41 2q3v s LEU 104 Cb -0.15 -1.43 -0.05 0.00 0.03 0.00 0.00 46.19 44.59 2q3v s LEU 104 CO -0.02 0.14 0.06 0.68 0.23 0.00 0.00 176.35 177.45 2q3v s VAL 105 N -1.41 1.14 0.45 -1.59 -7.23 0.70 -1.37 120.40 111.10 2q3v s VAL 105 Ca 0.20 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.15 2q3v s VAL 105 Cb -0.09 -2.58 -0.08 0.00 0.56 0.00 0.00 36.38 34.18 2q3v s VAL 105 CO 0.11 0.00 1.06 -0.54 -0.31 0.00 0.00 175.10 175.42 2q3v s LYS 106 N -3.81 3.93 0.59 4.82 1.02 -1.14 -0.08 119.74 125.06 2q3v s LYS 106 Ca 0.27 1.49 0.01 0.00 0.02 0.00 0.00 55.97 57.76 2q3v s LYS 106 Cb 0.06 -2.32 0.06 0.00 -0.52 0.00 0.00 37.83 35.10 2q3v s LYS 106 CO 0.13 -0.35 0.83 -1.54 -0.92 0.00 0.00 175.35 173.50 2q3v s SER 107 N -1.71 5.06 0.00 2.83 1.04 -1.15 -4.42 113.70 115.35 2q3v s SER 107 Ca 0.63 -0.12 0.15 0.00 0.48 0.00 0.00 55.95 57.09 2q3v s SER 107 Cb -0.21 -0.64 0.84 0.00 0.10 0.00 0.00 66.02 66.11 2q3v s SER 107 CO 0.25 -1.31 1.31 -1.84 0.98 0.00 0.00 173.24 172.64 2q3v n GLU 108 N -2.45 0.40 -0.02 4.02 0.00 -1.26 -2.54 120.64 118.78 2q3v n GLU 108 Ca 0.10 0.04 0.02 0.00 0.00 0.00 0.00 57.16 57.31 2q3v n GLU 108 Cb 0.60 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.45 2q3v n GLU 108 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2q3v n LYS 109 N -1.07 1.06 -0.24 3.44 5.02 -1.26 -4.82 118.16 120.29 2q3v n LYS 109 Ca 0.10 -0.07 -0.06 0.00 -2.02 0.00 0.00 58.31 56.26 2q3v n LYS 109 Cb 0.06 -1.27 -0.06 0.00 -0.02 0.00 0.00 35.03 33.75 2q3v n LYS 109 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2q3v n PHE 110 N -2.07 -0.25 -0.03 2.13 7.35 -1.05 -0.95 117.46 122.59 2q3v n PHE 110 Ca -0.07 0.71 -0.08 0.00 -0.76 0.00 0.00 57.45 57.24 2q3v n PHE 110 Cb 0.49 -0.52 -0.02 0.00 0.35 0.00 0.00 39.48 39.78 2q3v n PHE 110 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 2q3v h ASP 111 N 0.00 -0.49 -0.31 -2.13 5.19 -1.88 -1.28 116.42 115.53 2q3v h ASP 111 Ca 0.09 0.10 -0.04 0.00 -0.62 0.00 0.00 57.03 56.56 2q3v h ASP 111 Cb 0.23 0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.97 2q3v h ASP 111 CO -0.53 -0.19 0.08 1.05 -3.12 0.00 0.00 179.24 176.53 2q3v h GLU 112 N -0.16 0.57 -1.76 3.56 4.11 -1.68 -1.12 114.58 118.10 2q3v h GLU 112 Ca 0.12 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.45 2q3v h GLU 112 Cb 0.33 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2q3v h GLU 112 CO -0.29 0.54 0.00 1.28 0.07 0.00 0.00 179.01 180.61 2q3v n LEU 113 N -4.32 0.76 0.00 3.06 4.77 -0.13 -0.72 117.00 120.42 2q3v n LEU 113 Ca 0.02 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 2q3v n LEU 113 Cb 0.20 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2q3v n LEU 113 CO 0.38 0.13 0.00 0.00 -1.33 0.00 0.00 177.39 176.57 2q3v n ALA 115 N 0.91 0.00 0.18 -1.18 0.00 -0.42 -2.44 120.51 117.56 2q3v n ALA 115 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2q3v n ALA 115 Cb 0.12 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.78 2q3v n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2q3v h ALA 116 N 0.00 0.84 0.00 0.00 0.00 -1.19 -3.54 119.26 115.37 2q3v h ALA 116 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2q3v h ALA 116 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2q3v h ALA 116 CO 0.00 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.71