#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 0.00 -0.27 1.64 1.57 -2.05 -2.63 116.57 114.83 2q3v h LYS 20 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2q3v h LYS 20 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2q3v h LYS 20 CO 0.00 0.02 0.00 0.27 -0.57 0.00 0.00 179.45 179.17 2q3v n ASN 21 N -3.83 3.87 -4.25 0.86 6.94 -1.26 -4.94 115.26 112.64 2q3v n ASN 21 Ca -0.03 -3.05 -0.33 0.00 -0.02 0.00 0.00 54.58 51.15 2q3v n ASN 21 Cb 0.11 -0.55 -0.15 0.00 -2.36 0.00 0.00 39.78 36.82 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 -2.85 3.21 -0.16 -3.83 3.52 -0.99 -0.41 118.95 117.44 2q3v s ARG 22 Ca 0.43 -0.75 -0.05 0.00 -0.13 0.00 0.00 55.73 55.23 2q3v s ARG 22 Cb 0.35 -2.65 -0.03 0.00 -1.56 0.00 0.00 34.95 31.05 2q3v s ARG 22 CO 0.09 -0.02 -0.00 0.42 -0.81 0.00 0.00 175.30 174.97 2q3v s ILE 23 N 0.91 4.20 -0.21 4.11 1.01 0.11 -4.97 121.20 126.37 2q3v s ILE 23 Ca -0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 60.65 60.34 2q3v s ILE 23 Cb -0.15 -2.85 -0.00 0.00 0.01 0.00 0.00 42.46 39.47 2q3v s ILE 23 CO -0.02 0.50 -0.08 -1.10 0.00 0.00 0.00 174.94 174.24 2q3v s GLN 24 N 0.23 3.30 -0.41 2.79 -0.21 -1.26 -1.22 119.66 122.88 2q3v s GLN 24 Ca -0.00 -0.67 -0.23 0.00 0.02 0.00 0.00 55.36 54.47 2q3v s GLN 24 Cb -0.13 -2.90 0.02 0.00 1.00 0.00 0.00 33.01 31.00 2q3v s GLN 24 CO 0.02 -0.18 0.79 0.08 -2.12 0.00 0.00 175.29 173.89 2q3v s VAL 25 N 1.38 4.67 0.00 1.09 1.01 -0.33 -4.80 120.40 123.42 2q3v s VAL 25 Ca 0.05 0.67 0.02 0.00 0.00 0.00 0.00 61.98 62.72 2q3v s VAL 25 Cb -0.14 -4.28 0.03 0.00 0.00 0.00 0.00 36.38 31.99 2q3v s VAL 25 CO -0.05 -0.59 0.96 -1.54 0.00 0.00 0.00 175.10 173.88 2q3v n SER 26 N 6.61 -0.74 -3.92 3.32 3.41 -1.26 -4.53 113.62 116.50 2q3v n SER 26 Ca 0.03 -1.90 -0.30 0.00 -0.26 0.00 0.00 58.87 56.44 2q3v n SER 26 Cb 0.48 0.22 -0.15 0.00 -0.26 0.00 0.00 64.21 64.50 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 -0.97 4.06 0.08 4.04 3.84 -1.26 -4.99 114.94 119.74 2q3v s ASN 27 Ca 0.02 -1.45 0.19 0.00 0.21 0.00 0.00 52.86 51.83 2q3v s ASN 27 Cb 0.03 -1.21 0.78 0.00 -0.55 0.00 0.00 41.25 40.30 2q3v s ASN 27 CO -0.01 -0.30 1.58 0.35 -2.79 0.00 0.00 177.10 175.93 2q3v n THR 28 N 4.62 0.86 0.12 -5.21 -2.24 -1.26 -2.32 114.28 108.85 2q3v n THR 28 Ca -0.07 0.21 0.04 0.00 -2.27 0.00 0.00 64.05 61.96 2q3v n THR 28 Cb 0.43 -0.99 0.01 0.00 -2.10 0.00 0.00 70.33 67.68 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 -7.10 -0.78 1.57 -2.06 -3.47 116.57 104.73 2q3v h LYS 29 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 2q3v h LYS 29 Cb 0.32 0.00 0.09 0.00 0.08 0.00 0.00 32.23 32.72 2q3v h LYS 29 CO 0.00 0.32 0.44 0.15 -0.57 0.00 0.00 179.45 179.79 2q3v s LYS 30 N -3.03 3.15 0.45 3.15 -0.14 -0.98 -5.02 119.74 117.31 2q3v s LYS 30 Ca 0.02 1.68 -0.16 0.00 -1.36 0.00 0.00 55.97 56.16 2q3v s LYS 30 Cb 0.08 -1.97 -0.08 0.00 -1.68 0.00 0.00 37.83 34.18 2q3v s LYS 30 CO 0.76 -1.03 0.90 -1.25 -0.76 0.00 0.00 175.35 173.96 2q3v s PRO 31 N -3.37 3.96 0.22 -1.68 0.05 -1.26 -4.96 135.00 127.97 2q3v s PRO 31 Ca 0.74 0.83 -0.08 0.00 0.05 0.00 0.00 61.00 62.54 2q3v s PRO 31 Cb -0.26 -2.24 0.34 0.00 0.05 0.00 0.00 34.50 32.39 2q3v s PRO 31 CO 0.31 -0.12 1.70 1.25 0.05 0.00 0.00 177.00 180.19 2q3v h LEU 32 N 1.35 0.00 -2.44 -3.56 5.85 -1.99 -1.82 115.31 112.69 2q3v h LEU 32 Ca -0.47 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 2q3v h LEU 32 Cb 1.18 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 2q3v h LEU 32 CO 0.62 -0.00 -0.03 -0.26 -0.34 0.00 0.00 178.44 178.44 2q3v h PHE 33 N 0.26 0.00 -0.96 1.25 0.04 -1.98 -1.38 116.94 114.16 2q3v h PHE 33 Ca 0.34 0.00 0.08 0.00 2.80 0.00 0.00 57.97 61.20 2q3v h PHE 33 Cb 0.53 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.61 2q3v h PHE 33 CO -0.26 0.03 0.62 0.35 -0.60 0.00 0.00 178.31 178.45 2q3v h PHE 34 N 0.00 1.11 0.03 -0.55 3.57 -1.71 0.28 116.94 119.67 2q3v h PHE 34 Ca -0.00 0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.28 2q3v h PHE 34 Cb 0.09 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 2q3v h PHE 34 CO 0.00 0.53 -1.28 1.88 -2.23 0.00 0.00 178.31 177.21 2q3v h TYR 35 N 1.05 0.10 0.08 0.41 0.05 -1.37 -1.56 116.97 115.72 2q3v h TYR 35 Ca 0.43 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 59.14 2q3v h TYR 35 Cb 0.29 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.03 2q3v h TYR 35 CO -0.00 1.07 -0.04 0.28 -1.05 0.00 0.00 178.16 178.42 2q3v h VAL 36 N 0.01 1.17 -0.51 -2.88 2.07 -1.05 -2.03 116.25 113.04 2q3v h VAL 36 Ca -0.13 -1.13 -0.08 0.00 0.82 0.00 0.00 66.70 66.19 2q3v h VAL 36 Cb 1.88 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 33.51 2q3v h VAL 36 CO 0.13 0.27 -0.00 0.78 0.02 0.00 0.00 177.57 178.76 2q3v h ASN 37 N -0.65 0.83 -0.50 0.57 2.35 -0.59 -1.42 115.58 116.18 2q3v h ASN 37 Ca -0.01 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.46 2q3v h ASN 37 Cb 0.53 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 2q3v h ASN 37 CO 0.02 0.90 0.06 0.25 -1.65 0.00 0.00 177.43 177.01 2q3v h LEU 38 N 0.80 0.85 -0.91 1.61 5.85 -1.33 0.24 115.31 122.42 2q3v h LEU 38 Ca 0.15 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 2q3v h LEU 38 Cb 0.48 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2q3v h LEU 38 CO 0.02 0.87 -0.01 0.00 -0.34 0.00 0.00 178.44 178.99 2q3v h ALA 39 N 1.23 1.10 -0.37 1.25 0.00 -0.97 -0.48 119.26 121.01 2q3v h ALA 39 Ca 0.17 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 2q3v h ALA 39 Cb 0.41 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2q3v h ALA 39 CO 0.01 0.57 -0.31 0.87 0.00 0.00 0.00 179.25 180.39 2q3v h LYS 40 N 0.74 0.86 -0.58 0.00 1.57 -0.17 -2.95 116.57 116.05 2q3v h LYS 40 Ca 0.14 -0.43 -0.07 0.00 -1.87 0.00 0.00 60.65 58.42 2q3v h LYS 40 Cb 0.46 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 2q3v h LYS 40 CO 0.02 1.08 0.09 0.00 -0.57 0.00 0.00 179.45 180.07 2q3v h ARG 41 N 0.66 0.93 -1.80 3.15 2.47 -0.28 -2.31 114.38 117.21 2q3v h ARG 41 Ca 0.07 -0.23 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 2q3v h ARG 41 Cb 0.89 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 2q3v h ARG 41 CO 0.08 0.87 0.00 0.66 0.56 0.00 0.00 179.97 182.14 2q3v n TYR 42 N -4.23 0.00 0.00 3.04 4.02 -0.21 -2.65 117.16 117.12 2q3v n TYR 42 Ca 0.04 -0.15 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 2q3v n TYR 42 Cb 0.27 -0.18 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 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 1.09 0.00 -0.10 -0.72 6.02 -0.87 -0.95 117.38 121.85 2q3v n GLN 44 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.80 2q3v n GLN 44 Cb 0.13 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.29 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 0.55 0.00 -1.09 6.02 -1.08 -4.66 117.38 117.11 2q3v n GLN 45 Ca 0.00 0.52 0.09 0.00 -0.01 0.00 0.00 57.00 57.59 2q3v n GLN 45 Cb 0.00 -1.70 -0.03 0.00 1.02 0.00 0.00 30.24 29.53 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 -4.44 0.00 0.00 1.08 4.02 -0.13 -4.99 117.16 112.70 2q3v n TYR 46 Ca -0.30 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.59 2q3v n TYR 46 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.95 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 -0.47 0.00 -4.93 7.72 3.02 -1.25 -4.89 115.26 114.46 2q3v n ASN 47 Ca 0.06 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.37 2q3v n ASN 47 Cb 0.34 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.52 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 4.79 -0.28 6.41 3.84 -1.26 -2.17 116.67 128.00 2q3v s ASP 48 Ca 0.00 -1.10 -0.22 0.00 -0.00 0.00 0.00 52.55 51.24 2q3v s ASP 48 Cb 0.00 0.28 0.09 0.00 -1.38 0.00 0.00 42.92 41.90 2q3v s ASP 48 CO 0.00 -1.11 0.77 0.54 -0.00 0.00 0.00 175.17 175.37 2q3v s VAL 49 N -2.71 0.00 -0.10 2.11 0.11 -0.52 -4.94 120.40 114.35 2q3v s VAL 49 Ca 0.42 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.43 2q3v s VAL 49 Cb -0.03 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.78 2q3v s VAL 49 CO 0.26 0.00 0.06 -1.61 -3.33 0.00 0.00 175.10 170.49 2q3v s GLU 50 N 0.81 3.19 -0.12 1.54 2.02 0.45 -0.90 118.70 125.68 2q3v s GLU 50 Ca -0.03 -0.29 -0.00 0.00 0.02 0.00 0.00 54.97 54.67 2q3v s GLU 50 Cb -0.05 -2.97 0.03 0.00 0.10 0.00 0.00 34.13 31.24 2q3v s GLU 50 CO -0.07 0.74 -0.08 -0.51 0.02 0.00 0.00 175.26 175.35 2q3v s LEU 51 N -0.97 1.29 0.15 1.80 1.43 0.89 -0.71 118.68 122.57 2q3v s LEU 51 Ca 0.14 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 52.91 2q3v s LEU 51 Cb -0.12 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 2q3v s LEU 51 CO 0.03 -0.12 -0.09 -0.94 0.23 0.00 0.00 176.35 175.46 2q3v s SER 52 N 1.68 1.76 -0.03 2.29 1.04 -0.36 -0.18 113.70 119.89 2q3v s SER 52 Ca 0.04 -1.03 -0.29 0.00 0.48 0.00 0.00 55.95 55.15 2q3v s SER 52 Cb -0.13 -0.00 0.11 0.00 0.10 0.00 0.00 66.02 66.09 2q3v s SER 52 CO -0.08 -0.36 0.90 0.00 0.98 0.00 0.00 173.24 174.69 2q3v s ALA 53 N -3.35 -1.84 0.30 5.32 0.00 -1.01 -1.19 121.76 119.99 2q3v s ALA 53 Ca 0.18 1.11 0.08 0.00 0.00 0.00 0.00 51.96 53.33 2q3v s ALA 53 Cb 0.03 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 2q3v s ALA 53 CO 0.01 -0.63 0.14 -0.51 0.00 0.00 0.00 175.76 174.78 2q3v s LEU 54 N -2.26 3.41 0.00 0.00 1.43 -1.26 -1.31 118.68 118.69 2q3v s LEU 54 Ca 0.04 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 2q3v s LEU 54 Cb -0.01 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.27 2q3v s LEU 54 CO -0.07 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 176.93 2q3v n GLY 55 N -1.13 0.00 1.89 -3.19 0.00 0.11 -3.38 105.19 99.48 2q3v n GLY 55 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.11 4.61 0.00 -1.26 -4.55 120.51 119.20 2q3v n ALA 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2q3v n ALA 57 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.72 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 1.19 -0.88 0.00 2.04 -1.82 -1.89 117.51 116.15 2q3v h ILE 58 Ca 0.00 -0.53 0.11 0.00 1.00 0.00 0.00 64.86 65.44 2q3v h ILE 58 Cb 0.00 0.49 -0.08 0.00 -0.74 0.00 0.00 36.82 36.49 2q3v h ILE 58 CO 0.00 0.22 0.51 0.00 0.00 0.00 0.00 178.15 178.88 2q3v h ALA 59 N 1.51 1.28 -0.32 1.87 0.00 -1.93 0.20 119.26 121.88 2q3v h ALA 59 Ca 0.19 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2q3v h ALA 59 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2q3v h ALA 59 CO -0.02 0.10 0.07 1.15 0.00 0.00 0.00 179.25 180.54 2q3v h THR 60 N 0.82 1.23 -0.65 0.00 2.02 -1.76 0.15 112.91 114.72 2q3v h THR 60 Ca 0.43 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 2q3v h THR 60 Cb 0.44 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 2q3v h THR 60 CO -0.27 0.25 0.34 0.58 0.37 0.00 0.00 175.52 176.80 2q3v h VAL 61 N 0.35 1.21 -0.27 3.16 2.07 -1.07 0.27 116.25 121.96 2q3v h VAL 61 Ca 0.10 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.12 2q3v h VAL 61 Cb 0.31 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2q3v h VAL 61 CO 0.00 0.23 -0.00 0.58 0.02 0.00 0.00 177.57 178.40 2q3v h VAL 62 N 0.89 0.80 -0.22 2.57 2.07 -0.35 -1.30 116.25 120.72 2q3v h VAL 62 Ca 0.23 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 2q3v h VAL 62 Cb 0.06 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2q3v h VAL 62 CO -0.03 0.01 0.08 0.74 0.02 0.00 0.00 177.57 178.39 2q3v h THR 63 N 0.08 1.17 -0.12 2.57 2.02 -0.06 -1.86 112.91 116.70 2q3v h THR 63 Ca 0.13 -0.53 0.05 0.00 0.77 0.00 0.00 66.41 66.82 2q3v h THR 63 Cb 0.17 1.12 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 2q3v h THR 63 CO -0.22 0.17 -0.34 0.58 0.37 0.00 0.00 175.52 176.08 2q3v h VAL 64 N 0.19 0.26 -0.13 3.16 2.07 -0.21 0.88 116.25 122.47 2q3v h VAL 64 Ca 0.07 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.64 2q3v h VAL 64 Cb 0.19 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 2q3v h VAL 64 CO -0.00 0.00 -0.18 0.74 0.02 0.00 0.00 177.57 178.14 2q3v h THR 65 N -0.42 0.53 -0.80 2.57 2.02 -1.18 -0.43 112.91 115.20 2q3v h THR 65 Ca 0.09 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.36 2q3v h THR 65 Cb 0.56 0.53 -0.07 0.00 -1.74 0.00 0.00 68.15 67.43 2q3v h THR 65 CO -0.36 0.00 0.46 -0.33 0.37 0.00 0.00 175.52 175.66 2q3v h GLU 66 N -0.23 0.76 -0.65 6.66 5.08 -1.06 0.52 114.58 125.66 2q3v h GLU 66 Ca 0.10 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2q3v h GLU 66 Cb 0.38 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2q3v h GLU 66 CO -0.27 0.50 0.41 0.82 -1.00 0.00 0.00 179.01 179.47 2q3v h ILE 67 N 0.78 1.18 -0.03 3.13 2.04 -0.02 -1.22 117.51 123.38 2q3v h ILE 67 Ca 0.38 -0.38 -0.21 0.00 1.00 0.00 0.00 64.86 65.65 2q3v h ILE 67 Cb 0.33 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 2q3v h ILE 67 CO -0.24 0.19 -0.87 -0.07 0.00 0.00 0.00 178.15 177.16 2q3v h LEU 68 N 0.88 0.53 0.84 1.44 3.38 0.01 -1.91 115.31 120.49 2q3v h LEU 68 Ca 0.24 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 2q3v h LEU 68 Cb -0.05 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.55 2q3v h LEU 68 CO -0.05 1.18 -0.40 0.11 0.09 0.00 0.00 178.44 179.37 2q3v h LYS 69 N 0.26 -1.08 -0.48 1.13 1.79 0.11 -2.09 116.57 116.21 2q3v h LYS 69 Ca -0.06 0.07 0.08 0.00 -2.18 0.00 0.00 60.65 58.56 2q3v h LYS 69 Cb 1.49 0.25 -0.06 0.00 -1.58 0.00 0.00 32.23 32.32 2q3v h LYS 69 CO 0.15 -0.72 0.12 -0.91 -1.08 0.00 0.00 179.45 177.01 2q3v h ASN 70 N -1.30 0.07 0.18 0.86 2.35 -1.30 -1.11 115.58 115.32 2q3v h ASN 70 Ca -0.11 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2q3v h ASN 70 Cb 0.86 0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.32 2q3v h ASN 70 CO 0.19 0.07 0.00 0.59 -1.65 0.00 0.00 177.43 176.62 2q3v n ASN 71 N -5.07 0.00 0.00 5.81 5.03 -0.72 -4.85 115.26 115.46 2q3v n ASN 71 Ca 0.05 -0.18 0.00 0.00 0.87 0.00 0.00 54.58 55.31 2q3v n ASN 71 Cb 0.22 -0.17 0.00 0.00 -1.02 0.00 0.00 39.78 38.81 2q3v n ASN 71 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2q3v n GLY 72 N 0.07 0.54 0.13 7.41 0.00 -0.42 -4.95 105.19 107.97 2q3v n GLY 72 Ca 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.93 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 0.06 -3.11 1.61 0.04 -1.58 -3.39 116.94 110.57 2q3v h PHE 73 Ca 0.00 -0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.69 2q3v h PHE 73 Cb 0.00 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.14 2q3v h PHE 73 CO 0.00 0.73 0.23 0.00 -0.60 0.00 0.00 178.31 178.67 2q3v s ALA 74 N -3.46 -0.58 0.11 2.45 0.00 -1.17 -1.17 121.76 117.94 2q3v s ALA 74 Ca -0.01 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.16 2q3v s ALA 74 Cb 0.12 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 2q3v s ALA 74 CO 0.78 -0.97 -0.13 0.08 0.00 0.00 0.00 175.76 175.52 2q3v s VAL 75 N -2.32 1.23 0.47 0.00 1.01 -0.43 -4.44 120.40 115.91 2q3v s VAL 75 Ca 0.17 -1.64 -0.07 0.00 0.00 0.00 0.00 61.98 60.44 2q3v s VAL 75 Cb -0.05 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 2q3v s VAL 75 CO 0.12 -0.41 0.79 -1.83 0.00 0.00 0.00 175.10 173.78 2q3v s GLU 76 N -2.55 3.61 0.00 2.72 1.03 -1.26 -1.28 118.70 120.97 2q3v s GLU 76 Ca 0.07 0.30 0.00 0.00 0.03 0.00 0.00 54.97 55.36 2q3v s GLU 76 Cb -0.05 -2.37 0.00 0.00 -0.80 0.00 0.00 34.13 30.91 2q3v s GLU 76 CO 0.02 -0.18 0.00 1.17 -1.33 0.00 0.00 175.26 174.94 2q3v n LYS 77 N -2.03 1.33 -3.77 -4.83 4.81 0.59 -4.86 118.16 109.40 2q3v n LYS 77 Ca 0.01 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.33 2q3v n LYS 77 Cb 0.55 -0.92 -0.12 0.00 0.02 0.00 0.00 35.03 34.55 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 -1.85 0.26 -0.05 1.64 2.20 -1.12 -4.98 119.74 115.85 2q3v s LYS 78 Ca 0.00 0.40 -0.07 0.00 -0.36 0.00 0.00 55.97 55.93 2q3v s LYS 78 Cb 0.00 0.06 0.01 0.00 -1.51 0.00 0.00 37.83 36.39 2q3v s LYS 78 CO 0.00 -0.07 0.18 0.42 -0.36 0.00 0.00 175.35 175.51 2q3v s ILE 79 N 0.47 0.03 -0.29 5.43 1.01 -1.26 -0.99 121.20 125.60 2q3v s ILE 79 Ca -0.03 -0.23 -0.18 0.00 0.00 0.00 0.00 60.65 60.21 2q3v s ILE 79 Cb -0.04 -0.33 0.15 0.00 0.01 0.00 0.00 42.46 42.24 2q3v s ILE 79 CO -0.02 -0.13 1.02 -0.89 0.00 0.00 0.00 174.94 174.92 2q3v s THR 81 N -0.41 0.00 0.12 2.92 2.01 -1.26 -4.99 115.64 114.03 2q3v s THR 81 Ca -0.05 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.93 2q3v s THR 81 Cb -0.03 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 2q3v s THR 81 CO 0.01 0.00 0.06 -0.94 -0.69 0.00 0.00 174.62 173.06 2q3v s SER 82 N 1.07 0.31 -0.23 3.53 1.04 0.78 -4.97 113.70 115.23 2q3v s SER 82 Ca -0.06 -1.15 -0.08 0.00 0.48 0.00 0.00 55.95 55.14 2q3v s SER 82 Cb -0.04 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 2q3v s SER 82 CO -0.13 -0.72 0.10 -0.63 0.98 0.00 0.00 173.24 172.84 2q3v s ILE 83 N -4.02 4.80 0.23 -1.02 -1.09 -1.26 -0.39 121.20 118.45 2q3v s ILE 83 Ca 0.21 -0.02 0.11 0.00 -2.23 0.00 0.00 60.65 58.73 2q3v s ILE 83 Cb 0.07 -3.22 -0.05 0.00 -1.58 0.00 0.00 42.46 37.69 2q3v s ILE 83 CO -0.00 0.37 -0.21 0.68 -1.23 0.00 0.00 174.94 174.55 2q3v s VAL 84 N 1.09 2.48 0.06 2.92 -7.23 -0.42 -4.94 120.40 114.36 2q3v s VAL 84 Ca 0.05 -2.16 -0.24 0.00 -1.81 0.00 0.00 61.98 57.82 2q3v s VAL 84 Cb -0.14 -2.24 -0.06 0.00 0.56 0.00 0.00 36.38 34.50 2q3v s VAL 84 CO 0.04 -0.24 0.73 -1.81 -0.31 0.00 0.00 175.10 173.51 2q3v s ASP 85 N -3.05 7.19 0.06 4.85 1.01 -1.26 -1.12 116.67 124.35 2q3v s ASP 85 Ca 0.25 1.42 0.04 0.00 0.71 0.00 0.00 52.55 54.97 2q3v s ASP 85 Cb -0.07 -2.45 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 2q3v s ASP 85 CO 0.12 0.08 -0.03 -0.63 0.21 0.00 0.00 175.17 174.93 2q3v s ILE 86 N -0.33 3.89 -0.98 0.77 -1.09 0.43 -4.97 121.20 118.93 2q3v s ILE 86 Ca 0.36 -0.91 -0.24 0.00 -2.23 0.00 0.00 60.65 57.63 2q3v s ILE 86 Cb -0.20 -2.80 -0.06 0.00 -1.58 0.00 0.00 42.46 37.81 2q3v s ILE 86 CO 0.22 0.22 1.96 -0.75 -1.23 0.00 0.00 174.94 175.36 2q3v s LYS 87 N -1.98 2.49 0.03 2.79 2.20 -1.26 -3.69 119.74 120.32 2q3v s LYS 87 Ca 0.22 -0.50 0.04 0.00 -0.36 0.00 0.00 55.97 55.37 2q3v s LYS 87 Cb -0.11 -5.10 -0.02 0.00 -1.51 0.00 0.00 37.83 31.08 2q3v s LYS 87 CO 0.14 -3.61 -0.11 -1.25 -0.36 0.00 0.00 175.35 170.16 2q3v s PRO 94 N 6.95 0.73 0.05 4.03 0.04 -1.26 -5.17 135.00 140.36 2q3v s PRO 94 Ca 0.71 -0.67 -0.21 0.00 0.04 0.00 0.00 61.00 60.86 2q3v s PRO 94 Cb -0.05 -0.67 -0.06 0.00 0.04 0.00 0.00 34.50 33.76 2q3v s PRO 94 CO 0.04 0.16 0.63 0.14 0.04 0.00 0.00 177.00 178.00 2q3v s VAL 95 N -0.89 4.76 -0.10 -0.36 -7.23 -1.24 -5.05 120.40 110.29 2q3v s VAL 95 Ca -0.02 1.34 -0.04 0.00 -1.81 0.00 0.00 61.98 61.45 2q3v s VAL 95 Cb -0.08 -3.97 -0.04 0.00 0.56 0.00 0.00 36.38 32.86 2q3v s VAL 95 CO 0.01 0.48 0.07 -1.10 -0.31 0.00 0.00 175.10 174.24 2q3v s GLN 96 N -0.63 3.19 0.01 4.82 1.11 -1.26 -0.43 119.66 126.48 2q3v s GLN 96 Ca 0.32 -0.28 0.02 0.00 0.01 0.00 0.00 55.36 55.43 2q3v s GLN 96 Cb -0.20 -2.98 -0.01 0.00 -1.01 0.00 0.00 33.01 28.82 2q3v s GLN 96 CO 0.20 0.74 -0.07 0.15 0.01 0.00 0.00 175.29 176.32 2q3v s LYS 97 N -0.96 0.50 0.34 2.91 -0.14 -0.28 -4.97 119.74 117.14 2q3v s LYS 97 Ca 0.14 -0.41 -0.27 0.00 -1.36 0.00 0.00 55.97 54.07 2q3v s LYS 97 Cb -0.12 -0.41 -0.09 0.00 -1.68 0.00 0.00 37.83 35.53 2q3v s LYS 97 CO 0.03 0.10 1.10 0.00 -0.76 0.00 0.00 175.35 175.83 2q3v s ALA 98 N -0.58 3.26 -0.03 5.17 0.00 -1.26 -1.30 121.76 127.02 2q3v s ALA 98 Ca -0.02 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.81 2q3v s ALA 98 Cb -0.05 -3.32 0.03 0.00 0.00 0.00 0.00 23.12 19.77 2q3v s ALA 98 CO 0.00 -0.26 0.00 0.21 0.00 0.00 0.00 175.76 175.71 2q3v s LYS 99 N -1.95 0.27 0.04 0.00 2.20 0.48 -0.72 119.74 120.07 2q3v s LYS 99 Ca 0.51 0.08 0.04 0.00 -0.36 0.00 0.00 55.97 56.24 2q3v s LYS 99 Cb -0.29 -0.46 -0.04 0.00 -1.51 0.00 0.00 37.83 35.53 2q3v s LYS 99 CO 0.37 -0.14 -0.03 -1.50 -0.36 0.00 0.00 175.35 173.69 2q3v s ILE 100 N 1.03 3.88 -0.11 5.43 2.07 -0.43 -0.16 121.20 132.92 2q3v s ILE 100 Ca -0.10 -0.83 -0.01 0.00 -1.41 0.00 0.00 60.65 58.30 2q3v s ILE 100 Cb -0.13 -2.76 0.03 0.00 0.13 0.00 0.00 42.46 39.72 2q3v s ILE 100 CO -0.02 0.28 -0.04 -0.70 -1.91 0.00 0.00 174.94 172.55 2q3v s GLU 101 N -1.80 1.10 -0.15 3.50 2.12 -1.26 -2.40 118.70 119.81 2q3v s GLU 101 Ca 0.21 -0.14 0.01 0.00 0.36 0.00 0.00 54.97 55.41 2q3v s GLU 101 Cb -0.11 -1.41 0.02 0.00 0.26 0.00 0.00 34.13 32.88 2q3v s GLU 101 CO 0.12 -0.32 -0.19 0.42 -0.54 0.00 0.00 175.26 174.76 2q3v s ILE 102 N 1.82 1.87 -0.19 -3.70 1.01 0.74 -4.04 121.20 118.70 2q3v s ILE 102 Ca 0.04 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 2q3v s ILE 102 Cb -0.13 -1.69 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 2q3v s ILE 102 CO -0.07 0.51 -0.00 -0.89 0.00 0.00 0.00 174.94 174.49 2q3v s THR 103 N 1.15 3.95 0.25 2.92 2.01 -0.16 -0.08 115.64 125.68 2q3v s THR 103 Ca -0.00 -0.32 0.10 0.00 0.31 0.00 0.00 61.69 61.78 2q3v s THR 103 Cb -0.14 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 2q3v s THR 103 CO -0.08 0.44 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.47 2q3v s LEU 104 N 0.91 3.03 0.03 4.42 1.43 -0.08 -0.30 118.68 128.12 2q3v s LEU 104 Ca 0.01 -0.70 0.01 0.00 -1.03 0.00 0.00 54.13 52.42 2q3v s LEU 104 Cb -0.14 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 2q3v s LEU 104 CO 0.02 0.03 -0.04 0.68 0.23 0.00 0.00 176.35 177.27 2q3v s VAL 105 N -2.20 0.23 0.25 -1.59 -7.23 -0.40 -1.44 120.40 108.02 2q3v s VAL 105 Ca 0.29 -0.99 -0.31 0.00 -1.81 0.00 0.00 61.98 59.17 2q3v s VAL 105 Cb -0.07 -0.39 -0.13 0.00 0.56 0.00 0.00 36.38 36.34 2q3v s VAL 105 CO 0.18 -0.49 1.35 0.29 -0.31 0.00 0.00 175.10 176.12 2q3v n LYS 106 N 1.51 1.94 -2.55 4.82 5.02 -0.92 -1.32 118.16 126.66 2q3v n LYS 106 Ca -0.23 0.69 -0.26 0.00 -2.02 0.00 0.00 58.31 56.48 2q3v n LYS 106 Cb 0.55 -2.30 0.02 0.00 -0.02 0.00 0.00 35.03 33.27 2q3v n LYS 106 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2q3v s SER 107 N 0.12 5.87 0.00 4.39 0.15 -0.31 -4.67 113.70 119.24 2q3v s SER 107 Ca 0.66 0.74 0.03 0.00 0.70 0.00 0.00 55.95 58.08 2q3v s SER 107 Cb -0.65 -1.88 0.15 0.00 -1.71 0.00 0.00 66.02 61.92 2q3v s SER 107 CO 0.53 -0.84 1.02 -1.84 1.20 0.00 0.00 173.24 173.30 2q3v n GLU 108 N -2.41 0.02 -0.14 5.44 0.00 -1.26 -0.97 120.64 121.33 2q3v n GLU 108 Ca 0.03 0.36 0.07 0.00 0.00 0.00 0.00 57.16 57.61 2q3v n GLU 108 Cb 0.57 -1.50 0.14 0.00 0.00 0.00 0.00 31.44 30.65 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 -1.40 2.18 0.00 3.44 5.02 -1.26 -4.79 118.16 121.35 2q3v n LYS 109 Ca 0.01 -1.87 0.00 0.00 -2.02 0.00 0.00 58.31 54.43 2q3v n LYS 109 Cb 0.03 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 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 0.73 0.00 -0.34 2.13 7.35 -0.14 -2.21 117.46 124.98 2q3v n PHE 110 Ca 0.12 0.00 0.23 0.00 -0.76 0.00 0.00 57.45 57.04 2q3v n PHE 110 Cb 0.42 -0.47 0.46 0.00 0.35 0.00 0.00 39.48 40.24 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 0.54 -0.29 -2.13 3.32 -1.87 0.10 116.42 116.10 2q3v h ASP 111 Ca 0.00 0.17 -0.09 0.00 0.02 0.00 0.00 57.03 57.13 2q3v h ASP 111 Cb 0.00 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2q3v h ASP 111 CO 0.00 -0.08 -0.18 1.05 -1.72 0.00 0.00 179.24 178.31 2q3v h GLU 112 N 0.37 0.62 -1.25 3.56 4.11 -1.89 -0.88 114.58 119.22 2q3v h GLU 112 Ca 0.72 -0.29 0.00 0.00 0.07 0.00 0.00 59.36 59.86 2q3v h GLU 112 Cb 1.60 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.85 2q3v h GLU 112 CO -0.56 0.88 0.00 1.28 0.07 0.00 0.00 179.01 180.67 2q3v n LEU 113 N -4.38 0.29 0.00 3.06 4.77 0.35 -1.29 117.00 119.80 2q3v n LEU 113 Ca -0.04 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 2q3v n LEU 113 Cb 0.40 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2q3v n LEU 113 CO 0.42 0.05 0.00 0.00 -1.33 0.00 0.00 177.39 176.54 2q3v n ALA 115 N 0.76 0.00 -0.08 -1.18 0.00 -0.34 -0.26 120.51 119.41 2q3v n ALA 115 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2q3v n ALA 115 Cb 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.37 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 1.67 0.00 0.00 0.00 -0.41 -5.23 120.51 116.53 2q3v n ALA 116 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.38 2q3v n ALA 116 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.31 2q3v n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50