#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 0.18 -0.33 1.64 1.57 -2.05 -2.95 116.57 114.63 2q3v h LYS 20 Ca 0.00 -0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.54 2q3v h LYS 20 Cb 0.00 -0.03 -0.13 0.00 0.08 0.00 0.00 32.23 32.15 2q3v h LYS 20 CO 0.00 0.30 -0.30 0.27 -0.57 0.00 0.00 179.45 179.15 2q3v n ASN 21 N -4.32 2.81 -4.32 0.86 6.94 -1.26 -4.97 115.26 111.00 2q3v n ASN 21 Ca -0.01 -3.83 -0.36 0.00 -0.02 0.00 0.00 54.58 50.35 2q3v n ASN 21 Cb 0.24 -0.57 -0.13 0.00 -2.36 0.00 0.00 39.78 36.96 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 -3.33 3.10 -0.18 -3.83 3.52 -1.12 -1.61 118.95 115.50 2q3v s ARG 22 Ca 0.44 -0.84 -0.18 0.00 -0.13 0.00 0.00 55.73 55.03 2q3v s ARG 22 Cb 0.40 -3.26 -0.04 0.00 -1.56 0.00 0.00 34.95 30.49 2q3v s ARG 22 CO -0.02 -0.40 0.47 0.42 -0.81 0.00 0.00 175.30 174.96 2q3v s ILE 23 N 1.47 5.15 -0.25 4.11 1.01 0.17 -4.96 121.20 127.91 2q3v s ILE 23 Ca 0.03 0.88 -0.06 0.00 0.00 0.00 0.00 60.65 61.49 2q3v s ILE 23 Cb -0.17 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 2q3v s ILE 23 CO 0.01 0.24 0.04 -1.58 0.00 0.00 0.00 174.94 173.64 2q3v s GLN 24 N 1.29 3.47 -0.37 2.79 0.74 -1.26 -0.33 119.66 126.00 2q3v s GLN 24 Ca 0.23 -0.59 -0.20 0.00 0.05 0.00 0.00 55.36 54.85 2q3v s GLN 24 Cb -0.15 -3.24 0.01 0.00 1.10 0.00 0.00 33.01 30.73 2q3v s GLN 24 CO 0.09 -0.24 0.62 0.08 -0.55 0.00 0.00 175.29 175.30 2q3v s VAL 25 N 1.55 4.89 0.00 1.34 1.01 0.53 -4.77 120.40 124.95 2q3v s VAL 25 Ca 0.06 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.48 2q3v s VAL 25 Cb -0.15 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.14 2q3v s VAL 25 CO 0.01 -0.37 0.22 -1.54 0.00 0.00 0.00 175.10 173.43 2q3v n SER 26 N 6.05 0.00 -4.22 3.32 3.41 -1.26 -4.52 113.62 116.40 2q3v n SER 26 Ca -0.02 -1.04 -0.38 0.00 -0.26 0.00 0.00 58.87 57.18 2q3v n SER 26 Cb 0.48 -0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 64.31 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 -0.04 5.33 0.00 4.04 3.84 -1.26 -4.94 114.94 121.92 2q3v s ASN 27 Ca 0.00 -1.47 0.26 0.00 0.21 0.00 0.00 52.86 51.86 2q3v s ASN 27 Cb 0.00 -1.87 1.55 0.00 -0.55 0.00 0.00 41.25 40.38 2q3v s ASN 27 CO 0.00 -0.43 1.91 0.35 -2.79 0.00 0.00 177.10 176.15 2q3v n THR 28 N 4.77 0.01 0.10 -5.21 -2.24 -1.26 -2.23 114.28 108.23 2q3v n THR 28 Ca -0.10 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.76 2q3v n THR 28 Cb 0.43 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 2q3v n THR 28 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2q3v h LYS 29 N 0.00 0.00 -6.58 -0.78 1.79 -2.06 -3.47 116.57 105.47 2q3v h LYS 29 Ca 0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 2q3v h LYS 29 Cb 0.02 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.64 2q3v h LYS 29 CO 0.00 0.14 0.28 0.15 -1.08 0.00 0.00 179.45 178.94 2q3v s LYS 30 N -3.17 4.69 0.62 3.15 -0.14 -0.94 -5.05 119.74 118.89 2q3v s LYS 30 Ca 0.00 1.33 -0.16 0.00 -1.36 0.00 0.00 55.97 55.79 2q3v s LYS 30 Cb 0.08 -3.31 -0.02 0.00 -1.68 0.00 0.00 37.83 32.90 2q3v s LYS 30 CO 0.78 0.42 1.08 -2.14 -0.76 0.00 0.00 175.35 174.72 2q3v s PRO 31 N -0.69 3.12 0.19 -1.68 0.02 -1.26 -4.95 135.00 129.76 2q3v s PRO 31 Ca 0.41 1.30 -0.13 0.00 0.02 0.00 0.00 61.00 62.60 2q3v s PRO 31 Cb -0.24 -2.00 0.21 0.00 0.02 0.00 0.00 34.50 32.49 2q3v s PRO 31 CO 0.29 -0.98 1.68 1.25 -0.33 0.00 0.00 177.00 178.91 2q3v h LEU 32 N 0.33 -0.20 -2.62 -5.54 5.85 -1.98 -1.45 115.31 109.71 2q3v h LEU 32 Ca -0.47 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2q3v h LEU 32 Cb 1.23 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.47 2q3v h LEU 32 CO 0.56 -0.07 0.00 -0.26 -0.34 0.00 0.00 178.44 178.33 2q3v h PHE 33 N 0.13 0.00 0.17 1.25 -1.00 -1.99 -0.33 116.94 115.17 2q3v h PHE 33 Ca 0.26 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.03 2q3v h PHE 33 Cb 0.40 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.96 2q3v h PHE 33 CO -0.31 0.00 -0.08 0.35 -1.61 0.00 0.00 178.31 176.66 2q3v h PHE 34 N 0.00 -0.21 -0.46 -0.55 3.57 -1.63 -1.09 116.94 116.57 2q3v h PHE 34 Ca 0.00 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 2q3v h PHE 34 Cb 0.01 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2q3v h PHE 34 CO 0.00 -0.12 -0.14 1.88 -2.23 0.00 0.00 178.31 177.70 2q3v h TYR 35 N -0.25 0.95 0.03 0.41 0.05 -1.17 -1.08 116.97 115.91 2q3v h TYR 35 Ca -0.02 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 58.57 2q3v h TYR 35 Cb 0.19 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 2q3v h TYR 35 CO -0.06 0.94 -0.05 0.28 -1.05 0.00 0.00 178.16 178.22 2q3v h VAL 36 N 0.76 0.89 -0.32 -2.88 2.07 -1.32 -0.56 116.25 114.89 2q3v h VAL 36 Ca 0.12 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.56 2q3v h VAL 36 Cb 0.66 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2q3v h VAL 36 CO 0.05 0.00 -0.12 0.78 0.02 0.00 0.00 177.57 178.30 2q3v h ASN 37 N -0.10 0.53 0.06 0.57 2.35 -1.10 -1.68 115.58 116.21 2q3v h ASN 37 Ca 0.01 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.53 2q3v h ASN 37 Cb 0.11 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 2q3v h ASN 37 CO -0.03 0.68 -0.29 0.25 -1.65 0.00 0.00 177.43 176.40 2q3v h LEU 38 N 0.50 0.36 -0.68 1.61 5.85 -0.81 -0.67 115.31 121.47 2q3v h LEU 38 Ca 0.09 -0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.56 2q3v h LEU 38 Cb 0.51 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2q3v h LEU 38 CO 0.03 0.64 -0.39 0.00 -0.34 0.00 0.00 178.44 178.38 2q3v h ALA 39 N 1.39 0.86 0.00 1.25 0.00 -0.63 -1.14 119.26 120.99 2q3v h ALA 39 Ca 0.04 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 2q3v h ALA 39 Cb 0.67 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2q3v h ALA 39 CO 0.05 0.64 -0.41 0.87 0.00 0.00 0.00 179.25 180.40 2q3v h LYS 40 N 0.47 0.00 0.00 0.00 1.57 -0.45 -2.95 116.57 115.22 2q3v h LYS 40 Ca 0.04 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.61 2q3v h LYS 40 Cb 0.89 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.17 2q3v h LYS 40 CO 0.08 0.41 -1.13 0.00 -0.57 0.00 0.00 179.45 178.24 2q3v h ARG 41 N 0.00 0.00 -1.29 3.15 2.47 -0.91 -3.06 114.38 114.74 2q3v h ARG 41 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2q3v h ARG 41 Cb 0.84 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.16 2q3v h ARG 41 CO 0.05 0.72 0.00 0.66 0.56 0.00 0.00 179.97 181.96 2q3v n TYR 42 N -3.21 0.00 0.00 3.04 4.02 -0.45 -3.17 117.16 117.39 2q3v n TYR 42 Ca -0.05 -0.26 0.00 0.00 -0.01 0.00 0.00 57.90 57.58 2q3v n TYR 42 Cb 0.92 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 40.07 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 0.63 0.00 -0.01 -0.72 6.02 -1.16 -0.99 117.38 121.15 2q3v n GLN 44 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 2q3v n GLN 44 Cb 0.28 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.46 2q3v n GLN 44 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2q3v n GLN 45 N 0.00 0.76 -0.00 -1.09 6.02 -1.19 -4.66 117.38 117.22 2q3v n GLN 45 Ca 0.00 -0.08 0.01 0.00 -0.01 0.00 0.00 57.00 56.92 2q3v n GLN 45 Cb 0.00 -1.27 -0.01 0.00 1.02 0.00 0.00 30.24 29.98 2q3v n GLN 45 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2q3v n TYR 46 N -1.99 0.00 -0.13 1.08 4.02 -0.16 -4.97 117.16 115.01 2q3v n TYR 46 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 2q3v n TYR 46 Cb 0.41 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.71 2q3v n TYR 46 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2q3v n ASN 47 N -1.19 0.00 -0.53 7.72 3.02 -1.26 -4.92 115.26 118.10 2q3v n ASN 47 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2q3v n ASN 47 Cb 0.04 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 2q3v n ASN 47 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2q3v n ASP 48 N 0.00 0.00 -3.60 6.41 3.85 -1.26 -1.26 116.55 120.68 2q3v n ASP 48 Ca 0.00 -0.53 -0.08 0.00 -0.71 0.00 0.00 54.79 53.46 2q3v n ASP 48 Cb 0.00 0.00 -0.05 0.00 -1.35 0.00 0.00 41.12 39.72 2q3v n ASP 48 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2q3v s VAL 49 N -2.34 0.00 -0.28 2.12 0.11 -0.22 -4.75 120.40 115.04 2q3v s VAL 49 Ca 0.00 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 2q3v s VAL 49 Cb 0.00 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.92 2q3v s VAL 49 CO 0.00 0.00 -0.06 -1.61 -3.33 0.00 0.00 175.10 170.10 2q3v s GLU 50 N -0.88 1.97 0.36 1.54 2.02 -0.63 -0.41 118.70 122.67 2q3v s GLU 50 Ca 0.02 -1.46 -0.09 0.00 0.02 0.00 0.00 54.97 53.45 2q3v s GLU 50 Cb -0.01 -2.94 -0.06 0.00 0.10 0.00 0.00 34.13 31.21 2q3v s GLU 50 CO -0.02 -0.68 0.71 -0.51 0.02 0.00 0.00 175.26 174.78 2q3v s LEU 51 N 1.08 3.92 -0.17 1.80 1.43 0.98 -0.65 118.68 127.06 2q3v s LEU 51 Ca -0.03 1.03 -0.24 0.00 -1.03 0.00 0.00 54.13 53.86 2q3v s LEU 51 Cb -0.20 -3.89 0.06 0.00 0.03 0.00 0.00 46.19 42.20 2q3v s LEU 51 CO -0.06 -0.32 0.63 -0.94 0.23 0.00 0.00 176.35 175.88 2q3v s SER 52 N -3.06 -0.63 0.13 2.29 1.04 0.56 -0.86 113.70 113.17 2q3v s SER 52 Ca 0.49 1.03 -0.25 0.00 0.48 0.00 0.00 55.95 57.71 2q3v s SER 52 Cb -0.10 1.01 0.07 0.00 0.10 0.00 0.00 66.02 67.10 2q3v s SER 52 CO 0.30 -0.35 0.80 0.00 0.98 0.00 0.00 173.24 174.97 2q3v s ALA 53 N -0.23 -1.61 0.09 5.32 0.00 -0.50 -0.35 121.76 124.47 2q3v s ALA 53 Ca -0.04 0.41 0.05 0.00 0.00 0.00 0.00 51.96 52.37 2q3v s ALA 53 Cb -0.03 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 2q3v s ALA 53 CO 0.04 -0.87 -0.01 -0.51 0.00 0.00 0.00 175.76 174.41 2q3v s LEU 54 N -2.75 3.41 0.00 0.00 1.43 -1.26 -1.51 118.68 117.99 2q3v s LEU 54 Ca 0.07 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 2q3v s LEU 54 Cb -0.02 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 44.07 2q3v s LEU 54 CO -0.04 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.33 2q3v n GLY 55 N 0.65 0.00 0.00 -3.19 0.00 -0.37 -3.47 105.19 98.81 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 -0.31 4.61 0.00 -1.26 -4.02 120.51 119.53 2q3v n ALA 57 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2q3v n ALA 57 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.69 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 1.07 -0.87 0.00 2.04 -1.85 -0.11 117.51 117.79 2q3v h ILE 58 Ca 0.00 -0.36 0.10 0.00 1.00 0.00 0.00 64.86 65.61 2q3v h ILE 58 Cb 0.00 -0.06 -0.08 0.00 -0.74 0.00 0.00 36.82 35.94 2q3v h ILE 58 CO 0.00 0.19 0.50 0.00 0.00 0.00 0.00 178.15 178.84 2q3v h ALA 59 N 1.51 1.26 -0.32 1.87 0.00 -1.93 -0.86 119.26 120.79 2q3v h ALA 59 Ca 0.39 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.22 2q3v h ALA 59 Cb 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2q3v h ALA 59 CO -0.15 0.11 -0.25 1.15 0.00 0.00 0.00 179.25 180.11 2q3v h THR 60 N 0.82 1.29 -0.72 0.00 2.02 -1.43 -1.92 112.91 112.97 2q3v h THR 60 Ca 0.43 -1.41 0.01 0.00 0.77 0.00 0.00 66.41 66.21 2q3v h THR 60 Cb 0.42 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.27 2q3v h THR 60 CO -0.26 0.46 0.48 0.58 0.37 0.00 0.00 175.52 177.14 2q3v h VAL 61 N 0.51 1.19 -0.35 3.16 2.07 -0.58 0.44 116.25 122.69 2q3v h VAL 61 Ca 0.06 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 2q3v h VAL 61 Cb 0.82 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2q3v h VAL 61 CO 0.07 0.18 0.14 0.58 0.02 0.00 0.00 177.57 178.56 2q3v h VAL 62 N 0.98 1.19 -0.55 2.57 2.07 -1.13 -1.72 116.25 119.66 2q3v h VAL 62 Ca 0.26 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 2q3v h VAL 62 Cb -0.11 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2q3v h VAL 62 CO -0.06 0.20 0.24 0.74 0.02 0.00 0.00 177.57 178.72 2q3v h THR 63 N 0.42 1.21 -0.73 2.57 2.02 -0.95 0.85 112.91 118.30 2q3v h THR 63 Ca 0.12 -0.62 0.03 0.00 0.77 0.00 0.00 66.41 66.71 2q3v h THR 63 Cb 0.19 0.60 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 2q3v h THR 63 CO -0.01 0.24 0.45 0.58 0.37 0.00 0.00 175.52 177.16 2q3v h VAL 64 N 0.74 1.09 -0.24 3.16 2.07 -0.79 -1.16 116.25 121.13 2q3v h VAL 64 Ca 0.19 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2q3v h VAL 64 Cb 0.15 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 2q3v h VAL 64 CO -0.02 0.16 0.12 0.74 0.02 0.00 0.00 177.57 178.59 2q3v h THR 65 N 0.88 1.13 -0.69 2.57 2.02 -0.81 -0.84 112.91 117.18 2q3v h THR 65 Ca 0.29 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 67.14 2q3v h THR 65 Cb 0.03 0.95 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 2q3v h THR 65 CO -0.12 0.13 0.42 -0.33 0.37 0.00 0.00 175.52 175.99 2q3v h GLU 66 N 0.26 0.78 -0.14 6.66 5.08 -0.55 0.75 114.58 127.42 2q3v h GLU 66 Ca 0.08 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2q3v h GLU 66 Cb 0.10 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2q3v h GLU 66 CO -0.01 0.52 0.07 0.82 -1.00 0.00 0.00 179.01 179.41 2q3v h ILE 67 N 0.81 1.10 0.00 3.13 2.04 -1.02 0.21 117.51 123.78 2q3v h ILE 67 Ca 0.28 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2q3v h ILE 67 Cb 0.06 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 2q3v h ILE 67 CO -0.13 0.09 0.00 -0.07 0.00 0.00 0.00 178.15 178.04 2q3v h LEU 68 N 0.12 0.00 0.00 1.44 3.38 -0.74 -2.11 115.31 117.40 2q3v h LEU 68 Ca 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2q3v h LEU 68 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2q3v h LEU 68 CO -0.01 0.00 -0.30 0.11 0.09 0.00 0.00 178.44 178.33 2q3v h LYS 69 N 0.00 0.00 -0.08 1.13 1.79 -0.39 0.23 116.57 119.25 2q3v h LYS 69 Ca 0.00 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.49 2q3v h LYS 69 Cb 0.46 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2q3v h LYS 69 CO 0.00 0.13 0.07 -0.91 -1.08 0.00 0.00 179.45 177.66 2q3v h ASN 70 N -1.00 0.00 -0.53 0.86 2.35 -0.59 -1.23 115.58 115.45 2q3v h ASN 70 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2q3v h ASN 70 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 2q3v h ASN 70 CO -0.01 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.36 2q3v n ASN 71 N -4.33 4.11 -0.87 5.81 3.02 -0.80 -4.96 115.26 117.24 2q3v n ASN 71 Ca -0.01 -2.41 -0.11 0.00 -0.03 0.00 0.00 54.58 52.02 2q3v n ASN 71 Cb 0.17 -0.54 -0.05 0.00 -0.61 0.00 0.00 39.78 38.76 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 0.95 1.25 0.13 7.41 0.00 -0.46 -4.94 105.19 109.52 2q3v n GLY 72 Ca 0.21 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 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 0.49 -3.49 1.61 0.04 -1.54 -3.40 116.94 110.65 2q3v h PHE 73 Ca -0.23 -0.36 -0.31 0.00 2.80 0.00 0.00 57.97 59.87 2q3v h PHE 73 Cb 0.76 -0.02 -0.15 0.00 2.20 0.00 0.00 35.95 38.74 2q3v h PHE 73 CO 0.33 1.60 -0.70 0.00 -0.60 0.00 0.00 178.31 178.95 2q3v s ALA 74 N -2.58 1.42 -0.02 2.45 0.00 0.72 -0.71 121.76 123.04 2q3v s ALA 74 Ca -0.16 -1.52 0.04 0.00 0.00 0.00 0.00 51.96 50.31 2q3v s ALA 74 Cb 0.06 0.20 -0.00 0.00 0.00 0.00 0.00 23.12 23.38 2q3v s ALA 74 CO 0.81 -0.17 -0.13 0.08 0.00 0.00 0.00 175.76 176.36 2q3v s VAL 75 N -3.43 1.05 0.37 0.00 1.01 -0.34 -4.36 120.40 114.70 2q3v s VAL 75 Ca 0.19 -0.53 -0.25 0.00 0.00 0.00 0.00 61.98 61.38 2q3v s VAL 75 Cb 0.04 -0.90 -0.09 0.00 0.00 0.00 0.00 36.38 35.43 2q3v s VAL 75 CO 0.01 0.31 1.04 -1.83 0.00 0.00 0.00 175.10 174.63 2q3v s GLU 76 N -0.07 4.29 -0.01 2.72 1.03 -1.26 -0.87 118.70 124.53 2q3v s GLU 76 Ca 0.00 1.51 0.01 0.00 0.03 0.00 0.00 54.97 56.52 2q3v s GLU 76 Cb -0.08 -2.65 -0.02 0.00 -0.80 0.00 0.00 34.13 30.59 2q3v s GLU 76 CO 0.00 -0.03 0.01 1.17 -1.33 0.00 0.00 175.26 175.08 2q3v n LYS 77 N 0.16 3.39 -3.55 -4.83 4.81 -0.93 -4.87 118.16 112.35 2q3v n LYS 77 Ca 0.04 -0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.47 2q3v n LYS 77 Cb 0.49 -1.03 -0.05 0.00 0.02 0.00 0.00 35.03 34.46 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 -2.04 0.41 0.50 1.64 2.20 -1.22 -5.03 119.74 116.19 2q3v s LYS 78 Ca -0.01 0.87 0.02 0.00 -0.36 0.00 0.00 55.97 56.49 2q3v s LYS 78 Cb 0.00 0.35 -0.02 0.00 -1.51 0.00 0.00 37.83 36.65 2q3v s LYS 78 CO 0.05 -0.11 0.01 0.42 -0.36 0.00 0.00 175.35 175.35 2q3v s ILE 79 N 2.05 1.29 0.00 5.43 1.01 -1.26 -0.79 121.20 128.93 2q3v s ILE 79 Ca -0.06 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.59 2q3v s ILE 79 Cb -0.06 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.12 2q3v s ILE 79 CO -0.17 0.00 0.00 0.41 0.00 0.00 0.00 174.94 175.18 2q3v n THR 81 N -1.22 0.00 -3.75 2.92 -1.04 -1.26 -5.01 114.28 104.92 2q3v n THR 81 Ca -0.17 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.81 2q3v n THR 81 Cb 0.67 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.20 2q3v n THR 81 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2q3v n SER 82 N 0.00 -1.42 -4.38 8.00 3.41 -0.70 -4.99 113.62 113.53 2q3v n SER 82 Ca 0.00 -1.81 -0.33 0.00 -0.26 0.00 0.00 58.87 56.47 2q3v n SER 82 Cb 0.00 2.32 -0.14 0.00 -0.26 0.00 0.00 64.21 66.13 2q3v n SER 82 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2q3v s ILE 83 N -2.21 3.23 0.25 -1.33 -1.09 -1.26 -0.53 121.20 118.25 2q3v s ILE 83 Ca 0.16 -0.59 0.11 0.00 -2.23 0.00 0.00 60.65 58.10 2q3v s ILE 83 Cb -0.03 -2.38 -0.05 0.00 -1.58 0.00 0.00 42.46 38.43 2q3v s ILE 83 CO 0.05 0.51 -0.16 0.68 -1.23 0.00 0.00 174.94 174.79 2q3v s VAL 84 N 0.52 2.72 0.06 2.92 -7.23 0.27 -4.92 120.40 114.75 2q3v s VAL 84 Ca -0.07 -2.16 -0.20 0.00 -1.81 0.00 0.00 61.98 57.73 2q3v s VAL 84 Cb -0.15 -2.41 -0.06 0.00 0.56 0.00 0.00 36.38 34.32 2q3v s VAL 84 CO 0.04 -0.31 0.59 -1.81 -0.31 0.00 0.00 175.10 173.29 2q3v s ASP 85 N -3.32 7.07 -0.19 4.85 1.01 -1.26 0.06 116.67 124.88 2q3v s ASP 85 Ca 0.28 1.27 -0.00 0.00 0.71 0.00 0.00 52.55 54.80 2q3v s ASP 85 Cb -0.06 -2.37 0.05 0.00 1.01 0.00 0.00 42.92 41.55 2q3v s ASP 85 CO 0.15 0.23 -0.05 -0.63 0.21 0.00 0.00 175.17 175.08 2q3v s ILE 86 N -0.89 1.22 -0.31 0.77 -1.09 0.24 -4.93 121.20 116.20 2q3v s ILE 86 Ca 0.30 -0.81 -0.29 0.00 -2.23 0.00 0.00 60.65 57.62 2q3v s ILE 86 Cb -0.19 -1.44 -0.01 0.00 -1.58 0.00 0.00 42.46 39.23 2q3v s ILE 86 CO 0.19 0.04 1.65 -0.75 -1.23 0.00 0.00 174.94 174.85 2q3v s LYS 87 N 1.57 3.53 0.18 2.79 2.20 -1.26 0.39 119.74 129.14 2q3v s LYS 87 Ca -0.01 1.39 -0.21 0.00 -0.36 0.00 0.00 55.97 56.77 2q3v s LYS 87 Cb -0.16 -4.11 0.05 0.00 -1.51 0.00 0.00 37.83 32.10 2q3v s LYS 87 CO -0.07 -1.61 0.59 -1.25 -0.36 0.00 0.00 175.35 172.64 2q3v s PRO 94 N 5.19 1.35 -0.17 4.03 0.04 -1.26 -5.14 135.00 139.03 2q3v s PRO 94 Ca 0.73 -0.63 -0.07 0.00 0.04 0.00 0.00 61.00 61.08 2q3v s PRO 94 Cb -0.21 0.57 -0.04 0.00 0.04 0.00 0.00 34.50 34.86 2q3v s PRO 94 CO 0.32 -0.59 0.05 0.14 0.04 0.00 0.00 177.00 176.97 2q3v s VAL 95 N -3.80 4.72 0.21 -0.36 -7.23 0.16 -5.08 120.40 109.04 2q3v s VAL 95 Ca 0.04 -0.06 -0.22 0.00 -1.81 0.00 0.00 61.98 59.93 2q3v s VAL 95 Cb -0.01 -3.11 -0.08 0.00 0.56 0.00 0.00 36.38 33.73 2q3v s VAL 95 CO -0.08 0.48 0.75 -1.10 -0.31 0.00 0.00 175.10 174.84 2q3v s GLN 96 N 0.19 4.36 -0.01 4.82 -0.21 -1.26 -0.60 119.66 126.96 2q3v s GLN 96 Ca 0.04 0.98 -0.00 0.00 0.02 0.00 0.00 55.36 56.39 2q3v s GLN 96 Cb -0.12 -2.98 0.00 0.00 1.00 0.00 0.00 33.01 30.91 2q3v s GLN 96 CO 0.01 0.44 0.01 0.15 -2.12 0.00 0.00 175.29 173.78 2q3v s LYS 97 N -1.75 0.01 0.53 2.91 -0.14 0.11 -4.94 119.74 116.47 2q3v s LYS 97 Ca 0.41 0.04 -0.20 0.00 -1.36 0.00 0.00 55.97 54.86 2q3v s LYS 97 Cb -0.19 -0.02 -0.06 0.00 -1.68 0.00 0.00 37.83 35.88 2q3v s LYS 97 CO 0.22 -0.02 1.16 0.00 -0.76 0.00 0.00 175.35 175.95 2q3v s ALA 98 N 0.14 2.75 0.02 5.17 0.00 -1.26 -0.56 121.76 128.02 2q3v s ALA 98 Ca -0.01 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2q3v s ALA 98 Cb -0.02 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 2q3v s ALA 98 CO -0.00 -0.82 -0.03 0.21 0.00 0.00 0.00 175.76 175.11 2q3v s LYS 99 N -3.13 0.35 -0.01 0.00 2.20 0.31 -1.23 119.74 118.23 2q3v s LYS 99 Ca 0.71 -0.67 0.01 0.00 -0.36 0.00 0.00 55.97 55.66 2q3v s LYS 99 Cb -0.27 0.08 0.01 0.00 -1.51 0.00 0.00 37.83 36.14 2q3v s LYS 99 CO 0.31 -0.05 -0.04 -1.50 -0.36 0.00 0.00 175.35 173.71 2q3v s ILE 100 N -1.64 0.37 -0.25 5.43 2.07 -0.57 -1.72 121.20 124.89 2q3v s ILE 100 Ca -0.14 -0.15 -0.01 0.00 -1.41 0.00 0.00 60.65 58.95 2q3v s ILE 100 Cb -0.09 -0.35 0.08 0.00 0.13 0.00 0.00 42.46 42.23 2q3v s ILE 100 CO -0.02 0.13 0.03 -1.61 -1.91 0.00 0.00 174.94 171.56 2q3v s GLU 101 N 0.22 1.01 -0.32 3.50 2.02 -1.26 -1.41 118.70 122.45 2q3v s GLU 101 Ca -0.02 -0.88 -0.11 0.00 0.02 0.00 0.00 54.97 53.98 2q3v s GLU 101 Cb -0.06 -2.28 -0.01 0.00 0.10 0.00 0.00 34.13 31.88 2q3v s GLU 101 CO -0.00 -0.76 0.19 0.42 0.02 0.00 0.00 175.26 175.13 2q3v s ILE 102 N 1.59 4.90 -0.11 -1.63 1.01 -0.04 -4.39 121.20 122.53 2q3v s ILE 102 Ca 0.02 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.24 2q3v s ILE 102 Cb -0.18 -3.50 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 2q3v s ILE 102 CO -0.13 0.04 0.22 -0.89 0.00 0.00 0.00 174.94 174.18 2q3v s THR 103 N 1.66 5.35 -0.00 2.92 2.01 0.03 -0.01 115.64 127.60 2q3v s THR 103 Ca 0.05 0.40 0.03 0.00 0.31 0.00 0.00 61.69 62.49 2q3v s THR 103 Cb -0.17 -3.52 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 2q3v s THR 103 CO 0.08 0.54 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.69 2q3v s LEU 104 N -0.56 2.03 0.08 4.42 1.43 0.45 -2.18 118.68 124.35 2q3v s LEU 104 Ca 0.16 -0.20 0.05 0.00 -1.03 0.00 0.00 54.13 53.12 2q3v s LEU 104 Cb -0.13 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.54 2q3v s LEU 104 CO 0.05 0.11 -0.04 0.68 0.23 0.00 0.00 176.35 177.38 2q3v s VAL 105 N -0.27 3.75 0.29 -1.59 -7.23 -0.05 -1.05 120.40 114.24 2q3v s VAL 105 Ca 0.04 -1.03 -0.30 0.00 -1.81 0.00 0.00 61.98 58.87 2q3v s VAL 105 Cb -0.04 -2.75 -0.11 0.00 0.56 0.00 0.00 36.38 34.04 2q3v s VAL 105 CO -0.00 0.17 1.59 -0.54 -0.31 0.00 0.00 175.10 176.01 2q3v s LYS 106 N -2.10 4.12 0.82 4.82 1.02 -0.39 -1.19 119.74 126.84 2q3v s LYS 106 Ca 0.23 2.57 -0.14 0.00 0.02 0.00 0.00 55.97 58.65 2q3v s LYS 106 Cb -0.11 -3.02 0.20 0.00 -0.52 0.00 0.00 37.83 34.37 2q3v s LYS 106 CO 0.15 -0.63 0.86 -1.13 -0.92 0.00 0.00 175.35 173.67 2q3v n SER 107 N 2.19 -1.07 -0.01 2.83 3.41 0.11 -4.78 113.62 116.31 2q3v n SER 107 Ca 0.08 -1.12 0.14 0.00 -0.26 0.00 0.00 58.87 57.71 2q3v n SER 107 Cb 0.37 -0.73 0.64 0.00 -0.26 0.00 0.00 64.21 64.23 2q3v n SER 107 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2q3v n GLU 108 N -3.58 0.24 0.01 4.33 0.00 -1.26 -3.23 120.64 117.15 2q3v n GLU 108 Ca 0.11 -0.03 0.11 0.00 0.00 0.00 0.00 57.16 57.35 2q3v n GLU 108 Cb 0.42 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.30 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 -1.36 0.28 -0.36 3.44 5.02 -1.26 -4.57 118.16 119.35 2q3v n LYS 109 Ca 0.10 -0.05 0.27 0.00 -2.02 0.00 0.00 58.31 56.62 2q3v n LYS 109 Cb 0.30 -1.55 0.54 0.00 -0.02 0.00 0.00 35.03 34.30 2q3v n LYS 109 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 2q3v h PHE 110 N 0.00 0.73 0.29 2.13 3.57 -1.76 -1.23 116.94 120.67 2q3v h PHE 110 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2q3v h PHE 110 Cb 0.72 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.27 2q3v h PHE 110 CO 0.00 -0.12 -0.14 -0.44 -2.23 0.00 0.00 178.31 175.39 2q3v h ASP 111 N 0.27 -0.33 -0.92 0.41 3.32 -1.84 -3.25 116.42 114.08 2q3v h ASP 111 Ca 0.72 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 57.60 2q3v h ASP 111 Cb 1.90 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 41.48 2q3v h ASP 111 CO -0.46 0.08 0.60 1.05 -1.72 0.00 0.00 179.24 178.78 2q3v h GLU 112 N -0.79 1.13 -0.50 3.56 4.11 -1.65 0.56 114.58 120.99 2q3v h GLU 112 Ca -0.04 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.32 2q3v h GLU 112 Cb 0.51 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2q3v h GLU 112 CO 0.06 0.75 0.00 1.28 0.07 0.00 0.00 179.01 181.17 2q3v n LEU 113 N -4.50 0.10 0.00 3.06 4.77 -0.55 -0.70 117.00 119.18 2q3v n LEU 113 Ca 0.12 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2q3v n LEU 113 Cb 0.08 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2q3v n LEU 113 CO 0.34 0.02 0.00 0.00 -1.33 0.00 0.00 177.39 176.42 2q3v n ALA 115 N 0.58 0.00 1.77 -1.18 0.00 0.19 -2.07 120.51 119.80 2q3v n ALA 115 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2q3v n ALA 115 Cb 0.02 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.53 2q3v n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2q3v n ALA 116 N 0.00 2.49 0.68 0.00 0.00 0.12 -5.23 120.51 118.58 2q3v n ALA 116 Ca 0.00 -0.13 0.05 0.00 0.00 0.00 0.00 53.44 53.36 2q3v n ALA 116 Cb 0.00 -1.01 0.32 0.00 0.00 0.00 0.00 19.45 18.76 2q3v n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50