#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q3v n ASN 21 N 0.00 6.54 -4.12 4.39 2.04 -1.26 -4.97 115.26 117.88 2q3v n ASN 21 Ca 0.00 -3.79 -0.33 0.00 -0.44 0.00 0.00 54.58 50.02 2q3v n ASN 21 Cb 0.00 -0.80 -0.16 0.00 -2.53 0.00 0.00 39.78 36.29 2q3v n ASN 21 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2q3v s ARG 22 N -3.83 2.96 -0.17 -3.83 1.70 -1.26 -0.40 118.95 114.12 2q3v s ARG 22 Ca 0.54 -0.82 -0.03 0.00 -0.47 0.00 0.00 55.73 54.95 2q3v s ARG 22 Cb 0.44 -2.55 -0.02 0.00 -0.57 0.00 0.00 34.95 32.25 2q3v s ARG 22 CO -0.21 -0.21 -0.05 0.42 -1.08 0.00 0.00 175.30 174.18 2q3v s ILE 23 N 1.29 3.69 -0.12 4.99 1.01 0.67 -4.97 121.20 127.76 2q3v s ILE 23 Ca 0.05 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 2q3v s ILE 23 Cb -0.13 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.69 2q3v s ILE 23 CO -0.13 0.47 -0.10 -1.10 0.00 0.00 0.00 174.94 174.09 2q3v s GLN 24 N 0.65 3.28 -0.46 2.79 1.11 -1.26 -0.90 119.66 124.87 2q3v s GLN 24 Ca -0.03 -0.62 -0.22 0.00 0.01 0.00 0.00 55.36 54.51 2q3v s GLN 24 Cb -0.15 -2.68 0.03 0.00 -1.01 0.00 0.00 33.01 29.21 2q3v s GLN 24 CO 0.02 0.34 0.72 0.08 0.01 0.00 0.00 175.29 176.46 2q3v s VAL 25 N 0.06 4.73 0.00 1.09 1.01 -0.28 -4.79 120.40 122.21 2q3v s VAL 25 Ca -0.03 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.12 2q3v s VAL 25 Cb -0.14 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.95 2q3v s VAL 25 CO 0.04 -0.71 0.00 -1.54 0.00 0.00 0.00 175.10 172.89 2q3v n SER 26 N 6.52 0.17 -4.60 3.32 3.41 -1.26 -4.60 113.62 116.57 2q3v n SER 26 Ca -0.00 -0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 2q3v n SER 26 Cb 0.48 0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 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 -0.08 6.67 0.00 4.04 3.84 -1.26 -4.92 114.94 123.23 2q3v s ASN 27 Ca 0.00 0.56 0.15 0.00 0.21 0.00 0.00 52.86 53.78 2q3v s ASN 27 Cb 0.00 -2.46 0.66 0.00 -0.55 0.00 0.00 41.25 38.90 2q3v s ASN 27 CO 0.00 -0.85 1.45 0.35 -2.79 0.00 0.00 177.10 175.26 2q3v n THR 28 N 5.97 0.87 1.06 -5.21 -2.24 -1.26 -2.58 114.28 110.90 2q3v n THR 28 Ca 0.07 0.22 0.12 0.00 -2.27 0.00 0.00 64.05 62.19 2q3v n THR 28 Cb 0.48 -0.97 0.30 0.00 -2.10 0.00 0.00 70.33 68.04 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 -1.44 0.20 -3.00 -0.78 5.02 -1.26 -4.94 118.16 111.96 2q3v n LYS 29 Ca 0.05 -0.11 -0.40 0.00 -2.02 0.00 0.00 58.31 55.83 2q3v n LYS 29 Cb 0.16 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 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 -2.88 4.52 0.71 1.97 -0.14 -1.06 -5.06 119.74 117.79 2q3v s LYS 30 Ca 0.14 1.10 -0.11 0.00 -1.36 0.00 0.00 55.97 55.74 2q3v s LYS 30 Cb 0.18 -3.30 0.02 0.00 -1.68 0.00 0.00 37.83 33.05 2q3v s LYS 30 CO 0.65 0.47 1.07 -1.25 -0.76 0.00 0.00 175.35 175.53 2q3v s PRO 31 N -0.74 2.77 0.10 -1.68 0.04 -1.26 -4.97 135.00 129.26 2q3v s PRO 31 Ca 0.36 1.03 -0.24 0.00 0.04 0.00 0.00 61.00 62.19 2q3v s PRO 31 Cb -0.22 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 32.25 2q3v s PRO 31 CO 0.25 -1.23 1.70 1.25 0.04 0.00 0.00 177.00 179.00 2q3v h LEU 32 N -0.76 -0.26 -0.72 -3.56 5.85 -2.01 -2.51 115.31 111.34 2q3v h LEU 32 Ca -0.44 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2q3v h LEU 32 Cb 1.22 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.35 2q3v h LEU 32 CO 0.55 -0.14 0.00 0.49 -0.34 0.00 0.00 178.44 179.00 2q3v n PHE 33 N -5.21 0.44 -0.14 1.25 3.72 -1.26 -1.48 117.46 114.78 2q3v n PHE 33 Ca -0.06 0.21 -0.08 0.00 -0.05 0.00 0.00 57.45 57.47 2q3v n PHE 33 Cb 0.14 -0.84 0.00 0.00 -0.94 0.00 0.00 39.48 37.84 2q3v n PHE 33 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 2q3v h PHE 34 N 0.00 0.54 -0.04 1.38 3.57 -1.82 0.10 116.94 120.67 2q3v h PHE 34 Ca 0.00 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.27 2q3v h PHE 34 Cb 0.09 -0.18 0.01 0.00 2.79 0.00 0.00 35.95 38.66 2q3v h PHE 34 CO 0.00 0.37 -0.91 1.88 -2.23 0.00 0.00 178.31 177.42 2q3v h TYR 35 N 0.56 0.81 -0.20 0.41 0.05 -1.40 -2.01 116.97 115.18 2q3v h TYR 35 Ca 0.15 -0.41 -0.00 0.00 0.05 0.00 0.00 58.73 58.51 2q3v h TYR 35 Cb -0.02 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.61 2q3v h TYR 35 CO -0.04 1.23 0.11 0.28 -1.05 0.00 0.00 178.16 178.70 2q3v h VAL 36 N 0.34 1.11 -0.13 -2.88 2.07 -1.41 -0.94 116.25 114.42 2q3v h VAL 36 Ca -0.08 -0.29 -0.10 0.00 0.82 0.00 0.00 66.70 67.05 2q3v h VAL 36 Cb 1.54 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 2q3v h VAL 36 CO 0.17 0.10 -0.35 0.78 0.02 0.00 0.00 177.57 178.29 2q3v h ASN 37 N 0.22 0.26 -0.28 0.57 2.35 -1.03 -0.25 115.58 117.43 2q3v h ASN 37 Ca 0.07 -0.10 -0.16 0.00 -0.55 0.00 0.00 56.30 55.57 2q3v h ASN 37 Cb 0.07 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 2q3v h ASN 37 CO -0.01 0.61 -0.43 0.25 -1.65 0.00 0.00 177.43 176.19 2q3v h LEU 38 N 0.22 0.86 -1.12 1.61 5.85 -1.19 0.15 115.31 121.69 2q3v h LEU 38 Ca 0.03 -0.52 -0.07 0.00 0.84 0.00 0.00 57.88 58.16 2q3v h LEU 38 Cb 0.74 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2q3v h LEU 38 CO 0.06 1.21 -0.12 0.00 -0.34 0.00 0.00 178.44 179.25 2q3v h ALA 39 N 0.67 1.27 0.07 1.25 0.00 -1.01 0.10 119.26 121.61 2q3v h ALA 39 Ca 0.02 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2q3v h ALA 39 Cb 1.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2q3v h ALA 39 CO 0.10 0.48 -0.03 0.87 0.00 0.00 0.00 179.25 180.67 2q3v h LYS 40 N 0.45 -0.09 0.00 0.00 1.57 -0.72 -2.73 116.57 115.05 2q3v h LYS 40 Ca 0.08 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2q3v h LYS 40 Cb 0.47 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 2q3v h LYS 40 CO 0.03 0.13 -0.13 -0.09 -0.57 0.00 0.00 179.45 178.81 2q3v h ARG 41 N -0.29 0.00 -1.28 3.15 1.12 -0.43 -1.48 114.38 115.16 2q3v h ARG 41 Ca -0.01 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.82 2q3v h ARG 41 Cb 0.25 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.19 2q3v h ARG 41 CO 0.02 0.13 0.05 0.66 -3.11 0.00 0.00 179.97 177.72 2q3v n TYR 42 N -3.60 0.21 0.00 2.20 4.02 0.34 -2.42 117.16 117.90 2q3v n TYR 42 Ca -0.02 -0.76 0.00 0.00 -0.01 0.00 0.00 57.90 57.12 2q3v n TYR 42 Cb 0.26 -0.38 0.00 0.00 -0.02 0.00 0.00 39.34 39.20 2q3v n TYR 42 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2q3v n GLN 44 N 0.68 0.00 0.18 -0.72 7.27 -0.56 -1.05 117.38 123.18 2q3v n GLN 44 Ca 0.04 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 56.97 2q3v n GLN 44 Cb 0.56 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 33.13 2q3v n GLN 44 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 2q3v h GLN 45 N 0.00 -0.40 -0.01 3.69 4.20 -1.74 -3.37 115.11 117.47 2q3v h GLN 45 Ca 0.00 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2q3v h GLN 45 Cb 0.00 0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2q3v h GLN 45 CO 0.00 -0.21 -0.36 0.66 -0.67 0.00 0.00 178.83 178.25 2q3v n TYR 46 N -5.23 0.00 0.00 2.96 4.01 -0.21 -4.99 117.16 113.69 2q3v n TYR 46 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 2q3v n TYR 46 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 2q3v n TYR 46 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2q3v n ASN 47 N -0.40 0.00 -3.64 7.72 5.15 -1.25 -4.95 115.26 117.89 2q3v n ASN 47 Ca 0.05 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.90 2q3v n ASN 47 Cb 0.28 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.47 2q3v n ASN 47 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 2q3v s ASP 48 N -2.94 0.55 -0.02 1.20 1.47 -1.26 0.78 116.67 116.45 2q3v s ASP 48 Ca 0.00 -1.34 -0.29 0.00 1.18 0.00 0.00 52.55 52.11 2q3v s ASP 48 Cb 0.00 0.58 0.07 0.00 -0.34 0.00 0.00 42.92 43.23 2q3v s ASP 48 CO 0.00 -1.15 0.64 0.54 0.68 0.00 0.00 175.17 175.88 2q3v s VAL 49 N -3.56 0.01 -0.20 2.11 0.11 -0.88 -4.87 120.40 113.13 2q3v s VAL 49 Ca 0.31 -0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.32 2q3v s VAL 49 Cb 0.01 -0.97 0.04 0.00 -1.53 0.00 0.00 36.38 33.93 2q3v s VAL 49 CO 0.16 -0.03 -0.11 -0.70 -3.33 0.00 0.00 175.10 171.10 2q3v s GLU 50 N -1.49 2.07 -0.10 1.54 2.12 0.46 -1.92 118.70 121.38 2q3v s GLU 50 Ca -0.10 -0.83 -0.01 0.00 0.36 0.00 0.00 54.97 54.40 2q3v s GLU 50 Cb -0.00 -2.40 -0.03 0.00 0.26 0.00 0.00 34.13 31.95 2q3v s GLU 50 CO 0.07 -0.41 -0.05 -0.51 -0.54 0.00 0.00 175.26 173.82 2q3v s LEU 51 N 1.40 3.23 0.17 2.70 1.02 0.13 -0.23 118.68 127.09 2q3v s LEU 51 Ca -0.01 -0.04 0.01 0.00 0.02 0.00 0.00 54.13 54.11 2q3v s LEU 51 Cb -0.16 -1.73 -0.04 0.00 0.02 0.00 0.00 46.19 44.28 2q3v s LEU 51 CO -0.08 0.31 0.03 -0.94 0.02 0.00 0.00 176.35 175.68 2q3v s SER 52 N -0.46 0.90 -0.25 2.29 1.04 -0.07 0.19 113.70 117.34 2q3v s SER 52 Ca 0.07 -1.20 -0.28 0.00 0.48 0.00 0.00 55.95 55.02 2q3v s SER 52 Cb -0.12 0.18 0.16 0.00 0.10 0.00 0.00 66.02 66.34 2q3v s SER 52 CO 0.02 -0.64 1.22 0.00 0.98 0.00 0.00 173.24 174.82 2q3v s ALA 53 N -3.80 -2.06 0.18 5.32 0.00 -0.68 -1.13 121.76 119.60 2q3v s ALA 53 Ca 0.25 1.75 0.09 0.00 0.00 0.00 0.00 51.96 54.06 2q3v s ALA 53 Cb 0.07 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 2q3v s ALA 53 CO 0.04 -0.23 -0.12 -0.51 0.00 0.00 0.00 175.76 174.94 2q3v s LEU 54 N -0.66 2.89 0.00 0.00 1.02 -1.26 -1.75 118.68 118.92 2q3v s LEU 54 Ca 0.04 -0.62 0.00 0.00 0.02 0.00 0.00 54.13 53.57 2q3v s LEU 54 Cb -0.02 -1.59 0.00 0.00 0.02 0.00 0.00 46.19 44.60 2q3v s LEU 54 CO -0.06 0.11 0.00 0.61 0.02 0.00 0.00 176.35 177.02 2q3v n GLY 55 N 0.07 0.36 1.00 -3.19 0.00 -1.05 -4.32 105.19 98.07 2q3v n GLY 55 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.06 4.61 0.00 -1.26 -4.61 120.51 119.18 2q3v n ALA 57 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2q3v n ALA 57 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 1.32 -0.75 0.00 2.04 -1.81 -2.73 117.51 115.58 2q3v h ILE 58 Ca 0.00 -1.62 0.15 0.00 1.00 0.00 0.00 64.86 64.39 2q3v h ILE 58 Cb 0.00 1.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 2q3v h ILE 58 CO 0.00 0.50 0.50 0.00 0.00 0.00 0.00 178.15 179.16 2q3v h ALA 59 N 0.61 2.12 -0.22 1.87 0.00 -1.97 0.10 119.26 121.77 2q3v h ALA 59 Ca 0.01 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 2q3v h ALA 59 Cb 0.99 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2q3v h ALA 59 CO 0.09 -0.33 -0.48 1.15 0.00 0.00 0.00 179.25 179.68 2q3v h THR 60 N 0.41 1.31 0.24 0.00 2.02 -1.93 -1.58 112.91 113.37 2q3v h THR 60 Ca 0.37 -1.69 -0.01 0.00 0.77 0.00 0.00 66.41 65.85 2q3v h THR 60 Cb 0.86 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 2q3v h THR 60 CO -0.12 0.54 -0.11 0.58 0.37 0.00 0.00 175.52 176.77 2q3v h VAL 61 N 0.43 0.83 -0.55 3.16 2.07 -0.85 -0.66 116.25 120.67 2q3v h VAL 61 Ca 0.00 -0.53 0.14 0.00 0.82 0.00 0.00 66.70 67.13 2q3v h VAL 61 Cb 1.09 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 2q3v h VAL 61 CO 0.11 0.11 0.39 0.58 0.02 0.00 0.00 177.57 178.78 2q3v h VAL 62 N -0.60 0.78 0.00 2.57 2.07 -0.92 0.18 116.25 120.34 2q3v h VAL 62 Ca -0.03 -0.04 -0.27 0.00 0.82 0.00 0.00 66.70 67.18 2q3v h VAL 62 Cb 0.43 0.65 0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2q3v h VAL 62 CO 0.05 0.02 -1.05 0.74 0.02 0.00 0.00 177.57 177.36 2q3v h THR 63 N 0.12 1.28 -0.32 2.57 2.02 -1.03 -0.02 112.91 117.52 2q3v h THR 63 Ca 0.26 -2.26 -0.05 0.00 0.77 0.00 0.00 66.41 65.14 2q3v h THR 63 Cb 0.88 2.39 -0.02 0.00 -1.74 0.00 0.00 68.15 69.66 2q3v h THR 63 CO -0.03 0.70 -0.01 0.58 0.37 0.00 0.00 175.52 177.12 2q3v h VAL 64 N 0.39 1.19 -0.26 3.16 2.07 -0.09 -1.57 116.25 121.14 2q3v h VAL 64 Ca -0.13 -0.78 -0.08 0.00 0.82 0.00 0.00 66.70 66.53 2q3v h VAL 64 Cb 1.70 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 2q3v h VAL 64 CO 0.21 0.27 -0.17 0.74 0.02 0.00 0.00 177.57 178.64 2q3v h THR 65 N 0.48 1.30 -0.32 2.57 2.02 -0.80 -2.56 112.91 115.60 2q3v h THR 65 Ca 0.10 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 66.00 2q3v h THR 65 Cb 0.33 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 2q3v h THR 65 CO 0.01 0.40 0.20 -0.33 0.37 0.00 0.00 175.52 176.18 2q3v h GLU 66 N 0.29 0.42 -0.21 6.66 5.08 -0.76 -2.09 114.58 123.97 2q3v h GLU 66 Ca 0.05 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2q3v h GLU 66 Cb 0.69 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 2q3v h GLU 66 CO 0.05 0.30 -0.17 0.82 -1.00 0.00 0.00 179.01 179.00 2q3v h ILE 67 N 0.42 0.52 -0.23 3.13 2.04 -1.27 -0.87 117.51 121.26 2q3v h ILE 67 Ca 0.12 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.94 2q3v h ILE 67 Cb -0.03 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2q3v h ILE 67 CO -0.02 0.00 -0.02 -0.07 0.00 0.00 0.00 178.15 178.03 2q3v h LEU 68 N -0.18 0.32 0.19 1.44 3.38 -1.23 -1.66 115.31 117.58 2q3v h LEU 68 Ca 0.13 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2q3v h LEU 68 Cb 0.37 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2q3v h LEU 68 CO -0.32 0.40 -0.09 0.11 0.09 0.00 0.00 178.44 178.63 2q3v h LYS 69 N 0.34 -0.25 -0.02 1.13 1.79 -0.87 0.30 116.57 118.99 2q3v h LYS 69 Ca 0.08 0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.57 2q3v h LYS 69 Cb 0.27 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2q3v h LYS 69 CO 0.01 0.14 0.02 -0.91 -1.08 0.00 0.00 179.45 177.63 2q3v h ASN 70 N -0.90 0.00 -0.22 0.86 2.35 -1.11 -0.82 115.58 115.74 2q3v h ASN 70 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2q3v h ASN 70 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 2q3v h ASN 70 CO 0.04 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.41 2q3v n ASN 71 N -3.99 2.92 0.00 5.81 3.02 -0.63 -4.98 115.26 117.41 2q3v n ASN 71 Ca -0.03 -1.92 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 2q3v n ASN 71 Cb 0.10 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 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 1.38 0.89 0.19 7.41 0.00 -0.31 -4.95 105.19 109.80 2q3v n GLY 72 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 2q3v n GLY 72 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2q3v h PHE 73 N 0.00 0.00 -4.12 1.61 0.04 -1.19 -3.39 116.94 109.90 2q3v h PHE 73 Ca 0.00 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.55 2q3v h PHE 73 Cb 0.00 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.00 2q3v h PHE 73 CO 0.00 0.32 -0.66 0.00 -0.60 0.00 0.00 178.31 177.37 2q3v s ALA 74 N -3.38 1.00 -0.06 2.45 0.00 -0.92 -2.07 121.76 118.79 2q3v s ALA 74 Ca 0.02 -1.48 0.01 0.00 0.00 0.00 0.00 51.96 50.51 2q3v s ALA 74 Cb 0.09 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.86 2q3v s ALA 74 CO 0.68 -0.40 -0.06 0.08 0.00 0.00 0.00 175.76 176.06 2q3v s VAL 75 N -3.86 0.75 0.39 0.00 1.01 -0.63 -4.55 120.40 113.51 2q3v s VAL 75 Ca 0.21 -0.21 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 2q3v s VAL 75 Cb 0.07 -0.76 -0.09 0.00 0.00 0.00 0.00 36.38 35.60 2q3v s VAL 75 CO 0.01 0.29 1.14 -1.83 0.00 0.00 0.00 175.10 174.70 2q3v s GLU 76 N 1.13 4.13 0.02 2.72 1.03 -1.26 -0.28 118.70 126.18 2q3v s GLU 76 Ca -0.07 1.77 -0.02 0.00 0.03 0.00 0.00 54.97 56.67 2q3v s GLU 76 Cb -0.14 -2.70 -0.01 0.00 -0.80 0.00 0.00 34.13 30.48 2q3v s GLU 76 CO -0.01 -0.23 -0.05 1.17 -1.33 0.00 0.00 175.26 174.80 2q3v n LYS 77 N 0.15 0.08 -3.84 -4.83 4.81 0.48 -4.85 118.16 110.16 2q3v n LYS 77 Ca 0.04 0.03 -0.18 0.00 -0.87 0.00 0.00 58.31 57.33 2q3v n LYS 77 Cb 0.47 -0.64 -0.17 0.00 0.02 0.00 0.00 35.03 34.71 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 -2.11 0.24 0.34 1.64 2.20 -0.82 -4.99 119.74 116.24 2q3v s LYS 78 Ca -0.05 0.15 0.04 0.00 -0.36 0.00 0.00 55.97 55.76 2q3v s LYS 78 Cb 0.01 -0.54 -0.07 0.00 -1.51 0.00 0.00 37.83 35.72 2q3v s LYS 78 CO 0.07 -0.20 0.05 0.42 -0.36 0.00 0.00 175.35 175.32 2q3v s ILE 79 N 1.41 1.33 0.00 5.43 1.01 -1.26 0.16 121.20 129.27 2q3v s ILE 79 Ca -0.04 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.61 2q3v s ILE 79 Cb -0.13 -2.82 0.00 0.00 0.01 0.00 0.00 42.46 39.52 2q3v s ILE 79 CO -0.03 0.00 0.00 0.41 0.00 0.00 0.00 174.94 175.32 2q3v n THR 81 N -0.74 0.00 -3.82 2.92 -1.04 -1.26 -5.00 114.28 105.34 2q3v n THR 81 Ca -0.03 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.92 2q3v n THR 81 Cb 0.67 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.17 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 -0.19 -0.12 8.00 1.04 -0.42 -4.97 113.70 117.05 2q3v s SER 82 Ca 0.00 -0.60 -0.14 0.00 0.48 0.00 0.00 55.95 55.69 2q3v s SER 82 Cb 0.00 0.65 -0.05 0.00 0.10 0.00 0.00 66.02 66.72 2q3v s SER 82 CO 0.00 -1.22 0.33 -0.63 0.98 0.00 0.00 173.24 172.71 2q3v s ILE 83 N -3.43 5.25 0.19 -1.02 -1.09 -1.26 0.36 121.20 120.19 2q3v s ILE 83 Ca 0.13 0.65 0.10 0.00 -2.23 0.00 0.00 60.65 59.29 2q3v s ILE 83 Cb -0.04 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.13 2q3v s ILE 83 CO 0.06 0.43 -0.20 0.68 -1.23 0.00 0.00 174.94 174.68 2q3v s VAL 84 N 0.08 2.06 -0.35 2.92 -7.23 -0.02 -4.95 120.40 112.91 2q3v s VAL 84 Ca 0.19 -2.03 -0.19 0.00 -1.81 0.00 0.00 61.98 58.15 2q3v s VAL 84 Cb -0.14 -2.00 -0.00 0.00 0.56 0.00 0.00 36.38 34.80 2q3v s VAL 84 CO 0.07 -0.28 0.54 -1.81 -0.31 0.00 0.00 175.10 173.31 2q3v s ASP 85 N -2.80 6.34 -0.14 4.85 1.01 -1.26 -1.56 116.67 123.11 2q3v s ASP 85 Ca 0.19 0.01 -0.07 0.00 0.71 0.00 0.00 52.55 53.39 2q3v s ASP 85 Cb -0.06 -2.28 -0.04 0.00 1.01 0.00 0.00 42.92 41.55 2q3v s ASP 85 CO 0.09 -0.50 0.10 -0.63 0.21 0.00 0.00 175.17 174.44 2q3v s ILE 86 N 2.45 5.18 0.29 0.77 -1.09 0.25 -4.90 121.20 124.15 2q3v s ILE 86 Ca 0.20 0.09 -0.29 0.00 -2.23 0.00 0.00 60.65 58.42 2q3v s ILE 86 Cb -0.15 -3.27 -0.10 0.00 -1.58 0.00 0.00 42.46 37.35 2q3v s ILE 86 CO 0.13 0.57 1.34 -0.54 -1.23 0.00 0.00 174.94 175.21 2q3v s LYS 87 N -0.58 4.34 -0.36 2.79 1.02 -1.26 -0.44 119.74 125.26 2q3v s LYS 87 Ca 0.12 2.21 0.01 0.00 0.02 0.00 0.00 55.97 58.33 2q3v s LYS 87 Cb -0.12 -3.10 0.15 0.00 -0.52 0.00 0.00 37.83 34.24 2q3v s LYS 87 CO 0.02 -0.25 0.28 0.34 -0.92 0.00 0.00 175.35 174.83 2q3v s ASP 88 N -0.16 2.16 0.13 2.83 -1.08 -1.26 -4.80 116.67 114.49 2q3v s ASP 88 Ca 0.52 -1.88 -0.31 0.00 -0.52 0.00 0.00 52.55 50.36 2q3v s ASP 88 Cb -0.40 0.04 -0.08 0.00 -1.46 0.00 0.00 42.92 41.02 2q3v s ASP 88 CO 0.48 -0.29 1.56 0.44 0.52 0.00 0.00 175.17 177.88 2q3v h ASP 89 N 7.08 -1.68 -0.99 -0.34 3.32 -1.94 -1.68 116.42 120.18 2q3v h ASP 89 Ca 0.05 0.22 0.16 0.00 0.02 0.00 0.00 57.03 57.47 2q3v h ASP 89 Cb 1.01 0.69 -0.09 0.00 0.22 0.00 0.00 39.33 41.16 2q3v h ASP 89 CO 0.24 -0.42 0.62 0.00 -1.72 0.00 0.00 179.24 177.95 2q3v h ALA 90 N 0.01 1.64 0.00 3.45 0.00 -1.96 -0.11 119.26 122.29 2q3v h ALA 90 Ca 0.08 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2q3v h ALA 90 Cb 0.62 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2q3v h ALA 90 CO -0.53 0.06 -0.40 -0.09 0.00 0.00 0.00 179.25 178.29 2q3v h ARG 91 N 0.85 0.00 0.00 0.00 2.43 -1.76 -3.46 114.38 112.44 2q3v h ARG 91 Ca 0.53 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.70 2q3v h ARG 91 Cb 0.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2q3v h ARG 91 CO -0.31 0.40 0.00 0.41 -1.51 0.00 0.00 179.97 178.96 2q3v n GLY 92 N -0.26 1.99 3.26 2.80 0.00 -0.05 -4.98 105.19 107.95 2q3v n GLY 92 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 2q3v n GLY 92 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2q3v s ARG 93 N -0.34 0.99 0.52 1.61 1.70 -1.26 -5.04 118.95 117.13 2q3v s ARG 93 Ca 0.00 -1.09 -0.22 0.00 -0.47 0.00 0.00 55.73 53.95 2q3v s ARG 93 Cb 0.00 0.35 -0.06 0.00 -0.57 0.00 0.00 34.95 34.68 2q3v s ARG 93 CO 0.00 -0.34 1.28 -2.14 -1.08 0.00 0.00 175.30 173.02 2q3v s PRO 94 N -3.92 3.34 -0.04 3.89 0.02 -1.26 -4.19 135.00 132.83 2q3v s PRO 94 Ca 0.12 2.05 -0.03 0.00 0.02 0.00 0.00 61.00 63.16 2q3v s PRO 94 Cb 0.04 -2.29 -0.04 0.00 0.02 0.00 0.00 34.50 32.24 2q3v s PRO 94 CO -0.05 -0.97 0.13 0.14 -0.33 0.00 0.00 177.00 175.91 2q3v s VAL 95 N -1.40 5.16 -0.17 3.83 -7.23 0.42 -4.86 120.40 116.13 2q3v s VAL 95 Ca 0.69 -0.15 -0.08 0.00 -1.81 0.00 0.00 61.98 60.63 2q3v s VAL 95 Cb -0.36 -3.33 -0.04 0.00 0.56 0.00 0.00 36.38 33.20 2q3v s VAL 95 CO 0.42 0.43 0.10 -1.10 -0.31 0.00 0.00 175.10 174.65 2q3v s GLN 96 N -1.56 3.93 0.01 4.82 -0.21 -1.26 0.85 119.66 126.23 2q3v s GLN 96 Ca 0.22 -0.25 0.01 0.00 0.02 0.00 0.00 55.36 55.36 2q3v s GLN 96 Cb -0.12 -3.28 -0.01 0.00 1.00 0.00 0.00 33.01 30.60 2q3v s GLN 96 CO 0.12 0.40 -0.03 0.15 -2.12 0.00 0.00 175.29 173.81 2q3v s LYS 97 N 0.04 0.25 0.46 2.91 -0.14 -0.60 -4.95 119.74 117.70 2q3v s LYS 97 Ca 0.08 -0.26 -0.21 0.00 -1.36 0.00 0.00 55.97 54.21 2q3v s LYS 97 Cb -0.12 -0.14 -0.09 0.00 -1.68 0.00 0.00 37.83 35.81 2q3v s LYS 97 CO -0.00 0.03 1.04 0.00 -0.76 0.00 0.00 175.35 175.66 2q3v s ALA 98 N -0.48 2.94 -0.02 5.17 0.00 -1.26 -0.84 121.76 127.27 2q3v s ALA 98 Ca -0.04 0.64 0.03 0.00 0.00 0.00 0.00 51.96 52.60 2q3v s ALA 98 Cb -0.04 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.82 2q3v s ALA 98 CO -0.00 -0.28 -0.11 0.21 0.00 0.00 0.00 175.76 175.58 2q3v s LYS 99 N -2.99 1.04 -0.12 0.00 2.20 0.16 -2.52 119.74 117.51 2q3v s LYS 99 Ca 0.64 -0.40 0.03 0.00 -0.36 0.00 0.00 55.97 55.88 2q3v s LYS 99 Cb -0.18 -0.98 0.00 0.00 -1.51 0.00 0.00 37.83 35.16 2q3v s LYS 99 CO 0.22 0.21 -0.23 -1.50 -0.36 0.00 0.00 175.35 173.69 2q3v s ILE 100 N -0.10 2.08 -0.14 5.43 2.07 -0.72 -1.30 121.20 128.53 2q3v s ILE 100 Ca 0.01 -0.99 0.01 0.00 -1.41 0.00 0.00 60.65 58.27 2q3v s ILE 100 Cb -0.06 -1.81 0.02 0.00 0.13 0.00 0.00 42.46 40.73 2q3v s ILE 100 CO 0.00 0.55 -0.16 -1.61 -1.91 0.00 0.00 174.94 171.81 2q3v s GLU 101 N 0.55 2.44 -0.06 3.50 2.02 -1.26 -1.68 118.70 124.21 2q3v s GLU 101 Ca -0.14 -0.62 0.04 0.00 0.02 0.00 0.00 54.97 54.27 2q3v s GLU 101 Cb -0.17 -2.14 -0.02 0.00 0.10 0.00 0.00 34.13 31.90 2q3v s GLU 101 CO 0.04 -0.16 -0.17 0.42 0.02 0.00 0.00 175.26 175.41 2q3v s ILE 102 N 1.25 2.76 -0.24 -1.63 1.01 0.13 -4.21 121.20 120.26 2q3v s ILE 102 Ca 0.00 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.85 2q3v s ILE 102 Cb -0.14 -2.07 0.05 0.00 0.01 0.00 0.00 42.46 40.31 2q3v s ILE 102 CO -0.07 0.58 -0.12 -0.89 0.00 0.00 0.00 174.94 174.43 2q3v s THR 103 N -0.45 2.23 0.10 2.92 2.01 0.42 -0.69 115.64 122.19 2q3v s THR 103 Ca 0.05 -1.43 0.05 0.00 0.31 0.00 0.00 61.69 60.67 2q3v s THR 103 Cb -0.12 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 2q3v s THR 103 CO 0.02 0.11 0.01 -0.76 -0.69 0.00 0.00 174.62 173.31 2q3v s LEU 104 N 1.16 3.49 -0.01 4.42 1.43 -0.81 -0.39 118.68 127.97 2q3v s LEU 104 Ca -0.05 -0.19 0.07 0.00 -1.03 0.00 0.00 54.13 52.93 2q3v s LEU 104 Cb -0.18 -2.20 -0.02 0.00 0.03 0.00 0.00 46.19 43.82 2q3v s LEU 104 CO -0.07 0.16 -0.22 0.68 0.23 0.00 0.00 176.35 177.13 2q3v s VAL 105 N -1.39 2.42 0.16 -1.59 -7.23 0.61 -2.07 120.40 111.32 2q3v s VAL 105 Ca 0.26 -1.04 -0.34 0.00 -1.81 0.00 0.00 61.98 59.06 2q3v s VAL 105 Cb -0.11 -1.90 -0.14 0.00 0.56 0.00 0.00 36.38 34.79 2q3v s VAL 105 CO 0.19 0.54 1.60 1.17 -0.31 0.00 0.00 175.10 178.28 2q3v n LYS 106 N 2.24 2.23 -1.42 4.82 4.81 0.23 -1.61 118.16 129.46 2q3v n LYS 106 Ca -0.16 0.80 -0.29 0.00 -0.87 0.00 0.00 58.31 57.79 2q3v n LYS 106 Cb 0.52 -2.58 0.16 0.00 0.02 0.00 0.00 35.03 33.14 2q3v n LYS 106 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2q3v s SER 107 N 0.97 3.05 0.41 3.14 1.04 -0.88 -4.78 113.70 116.66 2q3v s SER 107 Ca 0.78 0.96 0.25 0.00 0.48 0.00 0.00 55.95 58.43 2q3v s SER 107 Cb -0.66 -1.52 0.58 0.00 0.10 0.00 0.00 66.02 64.53 2q3v s SER 107 CO 0.37 -2.84 1.69 1.05 0.98 0.00 0.00 173.24 174.50 2q3v h GLU 108 N -1.70 0.00 -0.21 4.02 4.11 -1.90 -3.11 114.58 115.80 2q3v h GLU 108 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 2q3v h GLU 108 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2q3v h GLU 108 CO 0.58 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.29 2q3v n LYS 109 N -2.94 2.21 -0.33 1.06 4.76 -1.26 -4.59 118.16 117.08 2q3v n LYS 109 Ca 0.04 -2.01 0.15 0.00 -2.87 0.00 0.00 58.31 53.62 2q3v n LYS 109 Cb 0.47 -1.44 0.38 0.00 -1.84 0.00 0.00 35.03 32.60 2q3v n LYS 109 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 2q3v h PHE 110 N 4.14 0.92 -0.02 2.13 3.57 -1.73 -0.33 116.94 125.63 2q3v h PHE 110 Ca 0.00 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 2q3v h PHE 110 Cb 0.91 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.38 2q3v h PHE 110 CO 0.13 0.20 -0.18 -0.44 -2.23 0.00 0.00 178.31 175.79 2q3v h ASP 111 N 0.66 0.19 -0.85 0.41 3.32 -1.84 -3.22 116.42 115.09 2q3v h ASP 111 Ca 0.56 -0.71 0.03 0.00 0.02 0.00 0.00 57.03 56.93 2q3v h ASP 111 Cb 1.02 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.46 2q3v h ASP 111 CO -0.33 0.87 0.56 -0.33 -1.72 0.00 0.00 179.24 178.29 2q3v h GLU 112 N -0.47 1.03 -0.27 3.56 5.08 -1.76 0.20 114.58 121.95 2q3v h GLU 112 Ca -0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2q3v h GLU 112 Cb 0.88 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2q3v h GLU 112 CO 0.04 0.68 0.00 1.28 -1.00 0.00 0.00 179.01 180.01 2q3v n LEU 113 N -4.44 0.27 0.00 1.33 4.77 -0.17 -1.42 117.00 117.34 2q3v n LEU 113 Ca 0.11 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2q3v n LEU 113 Cb 0.10 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2q3v n LEU 113 CO 0.35 0.07 0.00 0.00 -1.33 0.00 0.00 177.39 176.48 2q3v n ALA 115 N 0.24 0.00 0.24 -1.18 0.00 0.71 -0.93 120.51 119.59 2q3v n ALA 115 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2q3v n ALA 115 Cb 0.07 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.11 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 1.34 0.00 0.00 0.00 -1.47 0.60 119.26 119.74 2q3v h ALA 116 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2q3v h ALA 116 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2q3v h ALA 116 CO 0.00 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.49 2q3v n ALA 117 N -2.35 1.31 -2.10 0.00 0.00 -0.11 -1.53 120.51 115.74 2q3v n ALA 117 Ca -0.02 -0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.41 2q3v n ALA 117 Cb 0.29 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.68 2q3v n ALA 117 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2q3v n ASN 118 N -1.37 0.18 -2.15 0.00 4.13 -0.86 -4.99 115.26 110.20 2q3v n ASN 118 Ca 0.02 -1.96 -0.20 0.00 1.68 0.00 0.00 54.58 54.12 2q3v n ASN 118 Cb 0.04 -0.21 -0.02 0.00 -1.54 0.00 0.00 39.78 38.05 2q3v n ASN 118 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2q3v n GLU 119 N 0.10 -1.55 0.00 3.52 1.02 -0.58 -4.88 120.64 118.27 2q3v n GLU 119 Ca 0.01 0.99 0.09 0.00 -0.02 0.00 0.00 57.16 58.22 2q3v n GLU 119 Cb 0.78 -5.55 0.06 0.00 -0.02 0.00 0.00 31.44 26.71 2q3v n GLU 119 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2q3v n GLU 120 N -2.83 1.49 -2.06 3.49 -0.58 0.20 -4.96 120.64 115.38 2q3v n GLU 120 Ca -0.23 -1.44 -0.37 0.00 -0.42 0.00 0.00 57.16 54.71 2q3v n GLU 120 Cb 0.67 -1.33 0.02 0.00 -0.57 0.00 0.00 31.44 30.23 2q3v n GLU 120 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2q3v s LYS 121 N -1.55 3.25 0.00 3.49 2.20 -1.04 -4.81 119.74 121.27 2q3v s LYS 121 Ca 0.20 1.86 0.02 0.00 -0.36 0.00 0.00 55.97 57.69 2q3v s LYS 121 Cb 0.15 -2.12 0.02 0.00 -1.51 0.00 0.00 37.83 34.36 2q3v s LYS 121 CO 0.25 -1.00 0.56 0.39 -0.36 0.00 0.00 175.35 175.20