#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q81 s GLU 2 N 0.00 4.00 0.17 0.03 2.02 -1.26 -4.95 118.70 118.71 1q81 s GLU 2 Ca 0.00 1.58 -0.32 0.00 0.02 0.00 0.00 54.97 56.25 1q81 s GLU 2 Cb 0.00 -2.46 -0.12 0.00 0.10 0.00 0.00 34.13 31.65 1q81 s GLU 2 CO 0.00 -0.30 1.74 0.00 0.02 0.00 0.00 175.26 176.71 1q81 n ALA 3 N -0.29 2.37 0.25 5.21 0.00 -1.26 -4.85 120.51 121.94 1q81 n ALA 3 Ca 0.06 0.38 0.08 0.00 0.00 0.00 0.00 53.44 53.97 1q81 n ALA 3 Cb 0.49 -2.51 0.63 0.00 0.00 0.00 0.00 19.45 18.06 1q81 n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1q81 h LEU 4 N 7.19 0.00 -0.81 0.00 3.38 -1.92 -3.46 115.31 119.69 1q81 h LEU 4 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1q81 h LEU 4 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1q81 h LEU 4 CO 0.94 0.10 0.00 0.61 0.09 0.00 0.00 178.44 180.19 1q81 n GLY 5 N -1.14 0.91 3.60 0.83 0.00 -1.26 -4.70 105.19 103.43 1q81 n GLY 5 Ca -0.03 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1q81 n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q81 s ALA 6 N -2.81 -2.27 -0.20 4.61 0.00 -1.26 -4.59 121.76 115.24 1q81 s ALA 6 Ca 0.00 1.27 -0.04 0.00 0.00 0.00 0.00 51.96 53.20 1q81 s ALA 6 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 1q81 s ALA 6 CO 0.00 -0.83 -0.05 -0.51 0.00 0.00 0.00 175.76 174.37 1q81 s ASP 7 N -2.57 4.43 0.06 0.00 1.01 -0.69 -5.01 116.67 113.91 1q81 s ASP 7 Ca 0.13 -0.31 0.05 0.00 0.71 0.00 0.00 52.55 53.13 1q81 s ASP 7 Cb 0.03 -1.74 -0.04 0.00 1.01 0.00 0.00 42.92 42.18 1q81 s ASP 7 CO -0.04 0.05 -0.08 -0.69 0.21 0.00 0.00 175.17 174.61 1q81 s VAL 8 N 1.08 3.49 -0.43 -1.27 1.01 -1.26 -1.85 120.40 121.17 1q81 s VAL 8 Ca 0.01 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 1q81 s VAL 8 Cb -0.15 -2.58 0.11 0.00 0.00 0.00 0.00 36.38 33.77 1q81 s VAL 8 CO 0.00 0.23 0.24 -0.89 0.00 0.00 0.00 175.10 174.68 1q81 s THR 9 N -1.12 3.45 -0.38 3.92 2.01 -1.26 -5.04 115.64 117.22 1q81 s THR 9 Ca 0.20 -2.07 -0.41 0.00 0.31 0.00 0.00 61.69 59.72 1q81 s THR 9 Cb -0.11 -3.34 -0.16 0.00 0.01 0.00 0.00 72.50 68.90 1q81 s THR 9 CO 0.11 -0.72 1.94 0.00 -0.69 0.00 0.00 174.62 175.27 1q81 n GLN 10 N 4.57 0.73 -0.10 4.92 3.00 -1.26 -4.78 117.38 124.47 1q81 n GLN 10 Ca -0.02 0.24 0.12 0.00 -0.01 0.00 0.00 57.00 57.32 1q81 n GLN 10 Cb 0.41 -1.99 0.30 0.00 0.00 0.00 0.00 30.24 28.95 1q81 n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1q81 n GLY 11 N 5.56 0.84 3.34 1.08 0.00 -1.17 -4.83 105.19 110.00 1q81 n GLY 11 Ca 0.37 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 1q81 n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q81 s LEU 12 N -1.65 2.54 0.30 0.99 1.43 0.49 -4.92 118.68 117.87 1q81 s LEU 12 Ca 0.34 -1.00 0.03 0.00 -1.03 0.00 0.00 54.13 52.48 1q81 s LEU 12 Cb 0.20 -0.66 -0.06 0.00 0.03 0.00 0.00 46.19 45.70 1q81 s LEU 12 CO 0.29 -0.17 0.06 -1.61 0.23 0.00 0.00 176.35 175.16 1q81 s GLU 13 N -3.55 1.58 0.60 1.70 2.02 -1.26 -0.10 118.70 119.69 1q81 s GLU 13 Ca 0.21 -1.86 -0.19 0.00 0.02 0.00 0.00 54.97 53.15 1q81 s GLU 13 Cb -0.01 -0.73 -0.03 0.00 0.10 0.00 0.00 34.13 33.47 1q81 s GLU 13 CO 0.06 -0.20 1.26 0.21 0.02 0.00 0.00 175.26 176.61 1q81 s LYS 14 N -3.92 2.85 0.00 1.61 2.20 -0.70 -1.38 119.74 120.40 1q81 s LYS 14 Ca 0.36 1.97 0.00 0.00 -0.36 0.00 0.00 55.97 57.94 1q81 s LYS 14 Cb 0.08 -1.95 0.00 0.00 -1.51 0.00 0.00 37.83 34.45 1q81 s LYS 14 CO 0.15 -1.34 0.00 0.41 -0.36 0.00 0.00 175.35 174.20 1q81 n GLY 15 N 0.69 2.56 3.75 5.54 0.00 0.08 -4.98 105.19 112.84 1q81 n GLY 15 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1q81 n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q81 s SER 16 N -3.17 7.01 -0.41 1.61 0.01 -0.48 -4.76 113.70 113.50 1q81 s SER 16 Ca 0.00 2.41 -0.11 0.00 1.31 0.00 0.00 55.95 59.56 1q81 s SER 16 Cb 0.00 -2.63 0.06 0.00 0.21 0.00 0.00 66.02 63.66 1q81 s SER 16 CO 0.00 -0.39 0.27 -0.76 0.41 0.00 0.00 173.24 172.77 1q81 s LEU 17 N -1.00 5.09 0.00 2.44 1.43 -1.26 -1.20 118.68 124.19 1q81 s LEU 17 Ca 0.50 -1.29 0.03 0.00 -1.03 0.00 0.00 54.13 52.33 1q81 s LEU 17 Cb -0.35 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 43.86 1q81 s LEU 17 CO 0.43 -0.51 0.22 2.30 0.23 0.00 0.00 176.35 179.03 1q81 n ILE 18 N 5.00 0.00 -3.61 -0.59 -5.35 -0.60 -4.91 119.36 109.30 1q81 n ILE 18 Ca -0.11 -1.97 -0.37 0.00 -0.27 0.00 0.00 62.75 60.03 1q81 n ILE 18 Cb 0.44 0.10 -0.06 0.00 -1.74 0.00 0.00 39.64 38.38 1q81 n ILE 18 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1q81 s THR 19 N -2.45 5.16 -0.85 7.28 2.01 -0.47 -0.90 115.64 125.42 1q81 s THR 19 Ca 0.17 0.61 -0.16 0.00 0.31 0.00 0.00 61.69 62.62 1q81 s THR 19 Cb -0.01 -3.63 0.18 0.00 0.01 0.00 0.00 72.50 69.05 1q81 s THR 19 CO 0.11 0.54 0.88 0.00 -0.69 0.00 0.00 174.62 175.46 1q81 n ALA 21 N 4.97 4.01 -3.81 0.00 0.00 -0.37 -4.71 120.51 120.60 1q81 n ALA 21 Ca 0.16 -2.38 -0.02 0.00 0.00 0.00 0.00 53.44 51.20 1q81 n ALA 21 Cb 0.47 -3.21 0.00 0.00 0.00 0.00 0.00 19.45 16.72 1q81 n ALA 21 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1q81 s ASP 22 N 4.08 -0.06 -0.44 0.00 1.47 -1.26 -2.62 116.67 117.84 1q81 s ASP 22 Ca 0.44 -0.49 0.04 0.00 1.18 0.00 0.00 52.55 53.72 1q81 s ASP 22 Cb 0.11 0.43 0.55 0.00 -0.34 0.00 0.00 42.92 43.67 1q81 s ASP 22 CO 0.02 -0.83 1.74 -0.46 0.68 0.00 0.00 175.17 176.32 1q81 n ASN 23 N -0.88 4.37 0.22 2.11 6.94 -1.06 -4.65 115.26 122.30 1q81 n ASN 23 Ca -0.04 -3.72 0.15 0.00 -0.02 0.00 0.00 54.58 50.95 1q81 n ASN 23 Cb 0.60 -0.76 0.63 0.00 -2.36 0.00 0.00 39.78 37.89 1q81 n ASN 23 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 1q81 h THR 24 N 1.11 0.00 0.00 5.53 1.35 -1.91 -3.46 112.91 115.53 1q81 h THR 24 Ca 0.48 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 1q81 h THR 24 Cb 1.91 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 69.57 1q81 h THR 24 CO 0.97 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.85 1q81 n GLY 25 N -0.07 0.70 3.58 5.82 0.00 -1.26 -5.01 105.19 108.95 1q81 n GLY 25 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1q81 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q81 s ALA 26 N -2.00 3.50 -0.15 4.61 0.00 -1.26 -1.50 121.76 124.97 1q81 s ALA 26 Ca 0.00 -1.10 -0.10 0.00 0.00 0.00 0.00 51.96 50.76 1q81 s ALA 26 Cb 0.00 -2.45 -0.06 0.00 0.00 0.00 0.00 23.12 20.61 1q81 s ALA 26 CO 0.00 -0.55 -0.07 0.00 0.00 0.00 0.00 175.76 175.14 1q81 h ARG 27 N 8.36 0.00 -6.44 0.00 3.08 -1.15 -3.41 114.38 114.83 1q81 h ARG 27 Ca -0.35 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.04 1q81 h ARG 27 Cb 1.19 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.10 1q81 h ARG 27 CO 0.55 0.19 -0.70 -2.00 -1.07 0.00 0.00 179.97 176.94 1q81 s GLU 28 N -2.17 2.35 0.14 0.04 2.12 -0.97 -0.46 118.70 119.75 1q81 s GLU 28 Ca -0.15 -0.92 0.08 0.00 0.36 0.00 0.00 54.97 54.34 1q81 s GLU 28 Cb 0.02 -2.43 -0.04 0.00 0.26 0.00 0.00 34.13 31.95 1q81 s GLU 28 CO 0.26 0.53 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.82 1q81 s LEU 29 N -2.21 2.40 -0.19 2.70 1.43 -0.08 -2.52 118.68 120.23 1q81 s LEU 29 Ca 0.23 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 1q81 s LEU 29 Cb -0.11 -0.80 0.04 0.00 0.03 0.00 0.00 46.19 45.35 1q81 s LEU 29 CO 0.15 -0.03 -0.10 -0.75 0.23 0.00 0.00 176.35 175.86 1q81 s LYS 30 N -2.56 1.93 0.05 1.70 2.20 0.18 -1.56 119.74 121.68 1q81 s LYS 30 Ca 0.12 -0.75 -0.30 0.00 -0.36 0.00 0.00 55.97 54.68 1q81 s LYS 30 Cb -0.07 -2.31 -0.08 0.00 -1.51 0.00 0.00 37.83 33.87 1q81 s LYS 30 CO 0.06 -0.41 1.64 0.08 -0.36 0.00 0.00 175.35 176.35 1q81 s VAL 31 N 1.45 3.18 -0.15 4.02 1.01 -0.34 -1.80 120.40 127.77 1q81 s VAL 31 Ca -0.00 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1q81 s VAL 31 Cb -0.16 -3.36 -0.09 0.00 0.00 0.00 0.00 36.38 32.77 1q81 s VAL 31 CO -0.08 -0.01 -0.14 -0.38 0.00 0.00 0.00 175.10 174.49 1q81 n ILE 32 N 4.84 0.83 -4.07 2.22 5.41 -0.15 -0.74 119.36 127.71 1q81 n ILE 32 Ca 0.16 -0.31 -0.12 0.00 1.00 0.00 0.00 62.75 63.48 1q81 n ILE 32 Cb 0.41 -1.09 -0.06 0.00 -0.71 0.00 0.00 39.64 38.19 1q81 n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1q81 s SER 33 N -5.52 0.33 -0.21 4.38 0.01 -1.18 -4.81 113.70 106.70 1q81 s SER 33 Ca -0.20 -1.22 -0.01 0.00 1.31 0.00 0.00 55.95 55.83 1q81 s SER 33 Cb 0.05 0.58 0.06 0.00 0.21 0.00 0.00 66.02 66.92 1q81 s SER 33 CO 0.33 -1.15 -0.02 -0.69 0.41 0.00 0.00 173.24 172.12 1q81 s VAL 34 N -3.67 1.14 0.18 3.43 1.01 -1.26 -1.48 120.40 119.75 1q81 s VAL 34 Ca 0.28 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 1q81 s VAL 34 Cb 0.01 -1.47 -0.17 0.00 0.00 0.00 0.00 36.38 34.74 1q81 s VAL 34 CO 0.14 -0.11 0.66 1.57 0.00 0.00 0.00 175.10 177.36 1q81 n HIS 35 N 4.82 -0.12 -0.52 5.22 -0.00 -0.25 -1.21 115.22 123.17 1q81 n HIS 35 Ca -0.11 0.95 0.00 0.00 0.46 0.00 0.00 57.72 59.02 1q81 n HIS 35 Cb 0.46 -2.02 0.00 0.00 -0.12 0.00 0.00 29.99 28.31 1q81 n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1q81 n GLY 36 N 1.87 0.04 3.76 1.57 0.00 -1.26 -4.88 105.19 106.29 1q81 n GLY 36 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1q81 n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1q81 s TYR 37 N -1.11 3.68 -0.10 1.61 5.04 -0.35 -5.06 117.35 121.07 1q81 s TYR 37 Ca 0.00 1.19 -0.02 0.00 -2.44 0.00 0.00 57.07 55.80 1q81 s TYR 37 Cb 0.00 -2.60 0.03 0.00 0.35 0.00 0.00 41.96 39.74 1q81 s TYR 37 CO 0.00 0.35 0.00 -1.54 -1.34 0.00 0.00 175.55 173.03 1q81 s SER 38 N -0.19 1.87 0.00 4.32 1.04 -1.26 -4.91 113.70 114.57 1q81 s SER 38 Ca 0.31 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1q81 s SER 38 Cb -0.18 -0.49 0.00 0.00 0.10 0.00 0.00 66.02 65.45 1q81 s SER 38 CO 0.17 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.79 1q81 n GLY 39 N 5.12 0.75 3.49 7.32 0.00 -1.26 -5.13 105.19 115.47 1q81 n GLY 39 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 1q81 n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1q81 s THR 40 N 1.40 0.01 -0.06 2.61 -1.32 -1.26 -5.04 115.64 111.98 1q81 s THR 40 Ca 0.00 -0.06 -0.15 0.00 -1.21 0.00 0.00 61.69 60.27 1q81 s THR 40 Cb 0.00 -0.95 -0.07 0.00 -1.51 0.00 0.00 72.50 69.96 1q81 s THR 40 CO 0.00 -0.03 0.45 1.17 -2.21 0.00 0.00 174.62 174.00 1q81 n LYS 41 N 0.98 0.00 0.00 7.08 4.81 -1.26 0.14 118.16 129.91 1q81 n LYS 41 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 1q81 n LYS 41 Cb 0.57 -0.54 0.00 0.00 0.02 0.00 0.00 35.03 35.08 1q81 n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1q81 n ASN 42 N 0.86 0.00 -4.68 3.14 3.02 -1.26 -4.97 115.26 111.37 1q81 n ASN 42 Ca 0.09 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.21 1q81 n ASN 42 Cb 0.01 -0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.57 1q81 n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1q81 s ARG 43 N 0.00 4.37 -0.05 3.52 3.52 0.37 -4.99 118.95 125.69 1q81 s ARG 43 Ca 0.00 1.33 -0.30 0.00 -0.13 0.00 0.00 55.73 56.63 1q81 s ARG 43 Cb 0.00 -3.57 -0.05 0.00 -1.56 0.00 0.00 34.95 29.78 1q81 s ARG 43 CO 0.00 -0.38 1.47 -1.01 -0.81 0.00 0.00 175.30 174.58 1q81 s HIS 44 N 2.26 2.51 -0.10 5.12 3.76 -1.26 -4.47 115.29 123.11 1q81 s HIS 44 Ca 0.46 0.61 -0.37 0.00 -0.15 0.00 0.00 55.06 55.61 1q81 s HIS 44 Cb -0.17 -3.73 -0.15 0.00 1.11 0.00 0.00 32.58 29.64 1q81 s HIS 44 CO 0.15 -2.86 1.68 -0.35 -0.85 0.00 0.00 174.74 172.50 1q81 n PRO 45 N 6.31 1.54 -4.04 8.40 -0.04 -1.26 -4.82 135.00 141.09 1q81 n PRO 45 Ca 0.15 0.56 -0.35 0.00 -0.04 0.00 0.00 63.50 63.82 1q81 n PRO 45 Cb 0.43 -2.29 -0.07 0.00 -0.04 0.00 0.00 33.50 31.54 1q81 n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1q81 s LYS 46 N 2.72 3.26 0.04 0.54 -2.85 -1.26 -1.72 119.74 120.47 1q81 s LYS 46 Ca 0.92 -0.30 0.03 0.00 -1.00 0.00 0.00 55.97 55.62 1q81 s LYS 46 Cb -0.90 -3.02 -0.02 0.00 -2.06 0.00 0.00 37.83 31.83 1q81 s LYS 46 CO 0.55 0.72 -0.10 0.00 0.10 0.00 0.00 175.35 176.62 1q81 s ALA 47 N -1.08 0.77 0.00 0.59 0.00 0.86 -4.93 121.76 117.97 1q81 s ALA 47 Ca 0.18 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1q81 s ALA 47 Cb -0.12 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1q81 s ALA 47 CO 0.08 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.33 1q81 n GLY 48 N 1.76 4.75 3.71 0.00 0.00 -1.26 -0.38 105.19 113.77 1q81 n GLY 48 Ca -0.20 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.13 1q81 n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q81 n LEU 49 N 0.00 3.80 -0.03 0.99 4.77 -1.26 -2.09 117.00 123.17 1q81 n LEU 49 Ca 0.00 1.11 -0.00 0.00 -0.03 0.00 0.00 56.01 57.09 1q81 n LEU 49 Cb 0.00 -1.53 -0.00 0.00 -2.33 0.00 0.00 43.42 39.56 1q81 n LEU 49 CO 0.00 -0.04 -0.00 0.61 -1.33 0.00 0.00 177.39 176.62 1q81 n GLY 50 N 2.84 0.41 3.84 -0.72 0.00 0.33 -4.97 105.19 106.93 1q81 n GLY 50 Ca 0.12 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1q81 n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q81 s ASP 51 N -2.08 6.62 -0.35 1.61 1.01 -0.89 -4.83 116.67 117.76 1q81 s ASP 51 Ca 0.00 0.74 -0.19 0.00 0.71 0.00 0.00 52.55 53.81 1q81 s ASP 51 Cb 0.00 -2.18 0.00 0.00 1.01 0.00 0.00 42.92 41.75 1q81 s ASP 51 CO 0.00 0.34 0.58 -0.75 0.21 0.00 0.00 175.17 175.55 1q81 s LYS 52 N -0.94 3.64 0.38 8.23 2.20 -1.26 -1.27 119.74 130.71 1q81 s LYS 52 Ca 0.20 -0.06 0.08 0.00 -0.36 0.00 0.00 55.97 55.82 1q81 s LYS 52 Cb -0.15 -3.81 -0.05 0.00 -1.51 0.00 0.00 37.83 32.31 1q81 s LYS 52 CO 0.09 -0.70 0.15 0.96 -0.36 0.00 0.00 175.35 175.49 1q81 s ILE 53 N 2.56 2.57 -0.07 5.43 -4.36 -0.91 -1.09 121.20 125.32 1q81 s ILE 53 Ca 0.22 -1.73 -0.04 0.00 -0.26 0.00 0.00 60.65 58.83 1q81 s ILE 53 Cb -0.15 -2.96 -0.04 0.00 1.25 0.00 0.00 42.46 40.57 1q81 s ILE 53 CO 0.14 -0.09 0.11 -0.89 0.24 0.00 0.00 174.94 174.46 1q81 s THR 54 N -2.53 5.13 0.27 8.37 2.01 -0.55 -1.33 115.64 127.01 1q81 s THR 54 Ca 0.39 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.35 1q81 s THR 54 Cb 0.01 -3.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.20 1q81 s THR 54 CO 0.22 0.51 0.12 -0.69 -0.69 0.00 0.00 174.62 174.10 1q81 s VAL 55 N -1.09 0.45 0.00 3.82 1.01 0.37 -0.98 120.40 123.99 1q81 s VAL 55 Ca 0.18 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.17 1q81 s VAL 55 Cb -0.12 -2.58 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 1q81 s VAL 55 CO 0.08 0.00 -0.02 -0.94 0.00 0.00 0.00 175.10 174.23 1q81 s SER 56 N -3.33 0.17 -0.49 3.32 1.04 -0.75 -1.22 113.70 112.44 1q81 s SER 56 Ca 0.37 -0.09 -0.26 0.00 0.48 0.00 0.00 55.95 56.46 1q81 s SER 56 Cb 0.07 -0.00 0.03 0.00 0.10 0.00 0.00 66.02 66.22 1q81 s SER 56 CO 0.15 -0.02 0.97 -0.69 0.98 0.00 0.00 173.24 174.62 1q81 s VAL 57 N -0.22 4.39 0.02 5.02 1.01 -1.00 -0.64 120.40 128.99 1q81 s VAL 57 Ca -0.02 0.70 -0.18 0.00 0.00 0.00 0.00 61.98 62.48 1q81 s VAL 57 Cb -0.02 -4.50 -0.25 0.00 0.00 0.00 0.00 36.38 31.61 1q81 s VAL 57 CO -0.00 -0.95 1.09 0.74 0.00 0.00 0.00 175.10 175.98 1q81 h THR 58 N 6.09 1.38 -3.87 3.92 2.02 -1.80 -2.65 112.91 118.01 1q81 h THR 58 Ca -0.24 -2.24 -0.27 0.00 0.77 0.00 0.00 66.41 64.42 1q81 h THR 58 Cb 1.07 2.64 -0.27 0.00 -1.74 0.00 0.00 68.15 69.86 1q81 h THR 58 CO 1.06 0.66 -0.74 -0.54 0.37 0.00 0.00 175.52 176.34 1q81 s LYS 59 N -3.09 0.29 0.00 6.66 1.02 -1.23 -4.92 119.74 118.47 1q81 s LYS 59 Ca -0.12 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 55.62 1q81 s LYS 59 Cb 0.04 -0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.14 1q81 s LYS 59 CO 0.86 0.05 0.00 0.41 -0.92 0.00 0.00 175.35 175.76 1q81 n GLY 60 N 2.65 -0.12 3.75 -3.33 0.00 -1.26 -0.57 105.19 106.30 1q81 n GLY 60 Ca -0.15 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 1q81 n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q81 s THR 61 N -4.00 3.91 0.38 2.61 -4.23 -0.56 -4.84 115.64 108.91 1q81 s THR 61 Ca 0.00 1.89 0.22 0.00 -1.18 0.00 0.00 61.69 62.62 1q81 s THR 61 Cb 0.00 -4.20 0.38 0.00 1.34 0.00 0.00 72.50 70.02 1q81 s THR 61 CO 0.00 0.44 1.60 -0.65 -0.54 0.00 0.00 174.62 175.46 1q81 h PRO 62 N 4.19 0.07 0.00 3.99 0.11 -1.95 0.58 132.00 138.98 1q81 h PRO 62 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1q81 h PRO 62 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1q81 h PRO 62 CO 0.68 0.04 -0.04 0.93 -0.21 0.00 0.00 178.00 179.40 1q81 h GLU 63 N 0.07 0.00 0.01 1.05 4.39 -1.98 -3.24 114.58 114.88 1q81 h GLU 63 Ca 0.83 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 60.22 1q81 h GLU 63 Cb 2.26 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.86 1q81 h GLU 63 CO -0.66 0.00 -1.88 -1.33 -1.16 0.00 0.00 179.01 173.97 1q81 n MET 64 N -2.80 0.65 -1.52 2.33 2.81 0.19 -4.89 117.12 113.89 1q81 n MET 64 Ca 0.04 0.23 -0.37 0.00 -1.81 0.00 0.00 57.70 55.80 1q81 n MET 64 Cb 0.50 -1.73 0.07 0.00 -0.71 0.00 0.00 33.22 31.35 1q81 n MET 64 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1q81 n ARG 65 N -3.03 0.73 -0.54 0.03 1.74 -0.24 -2.78 116.66 112.57 1q81 n ARG 65 Ca -0.22 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1q81 n ARG 65 Cb 1.07 -2.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 1q81 n ARG 65 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1q81 n ARG 66 N -1.34 0.00 -2.90 5.56 1.74 -1.00 -4.93 116.66 113.79 1q81 n ARG 66 Ca 0.14 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.81 1q81 n ARG 66 Cb 0.48 -3.79 -0.05 0.00 -1.02 0.00 0.00 32.46 28.09 1q81 n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1q81 s GLN 67 N -0.58 4.56 -0.81 5.56 -0.21 -1.12 -4.76 119.66 122.29 1q81 s GLN 67 Ca 0.00 1.19 -0.19 0.00 0.02 0.00 0.00 55.36 56.38 1q81 s GLN 67 Cb 0.00 -3.37 0.12 0.00 1.00 0.00 0.00 33.01 30.76 1q81 s GLN 67 CO 0.00 0.25 1.00 0.08 -2.12 0.00 0.00 175.29 174.50 1q81 s VAL 68 N -0.01 4.74 0.43 1.09 1.01 -1.26 -2.37 120.40 124.03 1q81 s VAL 68 Ca 0.41 -1.32 0.07 0.00 0.00 0.00 0.00 61.98 61.14 1q81 s VAL 68 Cb -0.21 -4.69 -0.02 0.00 0.00 0.00 0.00 36.38 31.46 1q81 s VAL 68 CO 0.25 -1.40 0.33 -0.76 0.00 0.00 0.00 175.10 173.53 1q81 s LEU 69 N 2.74 3.24 0.31 3.92 1.43 -0.36 -4.89 118.68 125.08 1q81 s LEU 69 Ca 0.26 -0.89 0.07 0.00 -1.03 0.00 0.00 54.13 52.53 1q81 s LEU 69 Cb -0.11 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 1q81 s LEU 69 CO -0.03 -0.68 0.36 -0.70 0.23 0.00 0.00 176.35 175.52 1q81 s GLU 70 N -4.09 3.00 0.11 1.70 2.12 -1.26 0.14 118.70 120.42 1q81 s GLU 70 Ca 0.45 -1.08 -0.07 0.00 0.36 0.00 0.00 54.97 54.63 1q81 s GLU 70 Cb -0.01 -2.68 0.02 0.00 0.26 0.00 0.00 34.13 31.73 1q81 s GLU 70 CO 0.26 0.16 0.34 0.00 -0.54 0.00 0.00 175.26 175.48 1q81 n ALA 71 N -1.46 -0.82 -3.44 6.30 0.00 -0.44 -1.58 120.51 119.08 1q81 n ALA 71 Ca -0.03 -0.43 -0.14 0.00 0.00 0.00 0.00 53.44 52.85 1q81 n ALA 71 Cb 0.58 0.30 -0.15 0.00 0.00 0.00 0.00 19.45 20.19 1q81 n ALA 71 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1q81 s VAL 72 N -2.53 -0.03 -0.35 0.00 1.01 -0.49 -2.14 120.40 115.86 1q81 s VAL 72 Ca 0.07 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.89 1q81 s VAL 72 Cb -0.01 -0.13 0.01 0.00 0.00 0.00 0.00 36.38 36.25 1q81 s VAL 72 CO 0.03 0.05 1.31 -0.69 0.00 0.00 0.00 175.10 175.80 1q81 s VAL 73 N 0.70 4.09 -0.12 2.92 1.01 -0.40 -1.00 120.40 127.60 1q81 s VAL 73 Ca -0.06 1.19 0.16 0.00 0.00 0.00 0.00 61.98 63.27 1q81 s VAL 73 Cb -0.08 -4.23 -0.23 0.00 0.00 0.00 0.00 36.38 31.84 1q81 s VAL 73 CO -0.03 -0.62 0.41 0.52 0.00 0.00 0.00 175.10 175.38 1q81 n VAL 74 N 6.53 1.37 -3.72 2.92 0.31 -0.55 -0.51 118.33 124.68 1q81 n VAL 74 Ca 0.15 -0.80 -0.13 0.00 -0.01 0.00 0.00 64.34 63.55 1q81 n VAL 74 Cb 0.47 -0.69 -0.08 0.00 -0.91 0.00 0.00 33.84 32.64 1q81 n VAL 74 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1q81 s ARG 75 N -2.64 0.79 0.11 5.55 0.52 -0.64 -3.42 118.95 119.23 1q81 s ARG 75 Ca -0.07 -0.31 -0.11 0.00 -0.52 0.00 0.00 55.73 54.72 1q81 s ARG 75 Cb 0.07 0.35 0.01 0.00 0.52 0.00 0.00 34.95 35.90 1q81 s ARG 75 CO 0.83 -0.25 0.26 1.14 0.02 0.00 0.00 175.30 177.31 1q81 s GLN 76 N -2.00 0.97 0.04 3.54 -2.07 -1.05 -1.37 119.66 117.72 1q81 s GLN 76 Ca -0.09 -0.94 0.03 0.00 -1.82 0.00 0.00 55.36 52.55 1q81 s GLN 76 Cb -0.02 0.38 -0.25 0.00 -1.09 0.00 0.00 33.01 32.03 1q81 s GLN 76 CO 0.01 -0.34 1.00 0.00 -1.32 0.00 0.00 175.29 174.64 1q81 h ARG 77 N 2.61 0.12 -6.69 9.60 3.08 -1.76 -1.78 114.38 119.55 1q81 h ARG 77 Ca -0.33 -0.20 -0.52 0.00 0.07 0.00 0.00 59.98 59.00 1q81 h ARG 77 Cb 1.22 0.07 0.03 0.00 0.08 0.00 0.00 29.97 31.37 1q81 h ARG 77 CO 0.52 0.97 0.62 0.21 -1.07 0.00 0.00 179.97 181.22 1q81 s LYS 78 N -2.65 4.42 0.63 0.04 2.47 -1.26 -4.32 119.74 119.07 1q81 s LYS 78 Ca -0.04 2.00 -0.19 0.00 -1.56 0.00 0.00 55.97 56.18 1q81 s LYS 78 Cb 0.08 -3.20 -0.02 0.00 -1.46 0.00 0.00 37.83 33.23 1q81 s LYS 78 CO 0.84 -0.19 1.30 -2.30 0.16 0.00 0.00 175.35 175.17 1q81 n PRO 79 N 2.45 1.21 -4.47 4.03 -0.02 -1.26 -4.76 135.00 132.19 1q81 n PRO 79 Ca 0.05 0.47 -0.21 0.00 -2.02 0.00 0.00 63.50 61.79 1q81 n PRO 79 Cb 0.43 -2.54 -0.16 0.00 -0.02 0.00 0.00 33.50 31.22 1q81 n PRO 79 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1q81 s ILE 80 N -1.37 0.89 -0.19 4.25 -4.36 0.59 -4.24 121.20 116.77 1q81 s ILE 80 Ca 0.81 -0.42 -0.19 0.00 -0.26 0.00 0.00 60.65 60.58 1q81 s ILE 80 Cb -0.39 -0.79 -0.03 0.00 1.25 0.00 0.00 42.46 42.51 1q81 s ILE 80 CO 0.42 0.27 0.55 -0.60 0.24 0.00 0.00 174.94 175.82 1q81 s ARG 81 N 0.15 4.20 0.42 0.37 3.52 -0.77 -0.74 118.95 126.10 1q81 s ARG 81 Ca -0.03 0.48 -0.03 0.00 -0.13 0.00 0.00 55.73 56.02 1q81 s ARG 81 Cb -0.09 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.70 1q81 s ARG 81 CO 0.01 -0.16 0.69 1.03 -0.81 0.00 0.00 175.30 176.05 1q81 s ARG 82 N 1.67 3.53 0.59 5.12 0.52 -0.51 -1.70 118.95 128.18 1q81 s ARG 82 Ca 0.26 0.00 0.30 0.00 -0.52 0.00 0.00 55.73 55.77 1q81 s ARG 82 Cb -0.16 -2.50 1.23 0.00 0.52 0.00 0.00 34.95 34.05 1q81 s ARG 82 CO 0.10 -0.05 1.57 -1.35 0.02 0.00 0.00 175.30 175.59 1q81 h PRO 83 N 0.53 0.00 -0.62 3.54 0.11 -1.89 0.15 132.00 133.81 1q81 h PRO 83 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1q81 h PRO 83 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1q81 h PRO 83 CO 0.62 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 1q81 n ASP 84 N -3.52 3.82 0.00 -2.05 5.75 -1.26 -4.92 116.55 114.36 1q81 n ASP 84 Ca 0.20 -2.33 0.00 0.00 -0.01 0.00 0.00 54.79 52.64 1q81 n ASP 84 Cb 1.23 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 40.82 1q81 n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q81 n GLY 85 N 0.99 2.14 3.82 6.12 0.00 0.53 -5.03 105.19 113.76 1q81 n GLY 85 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1q81 n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q81 s THR 86 N -2.90 4.07 0.11 2.61 2.01 -1.25 -4.80 115.64 115.49 1q81 s THR 86 Ca 0.00 0.67 0.07 0.00 0.31 0.00 0.00 61.69 62.74 1q81 s THR 86 Cb 0.00 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 1q81 s THR 86 CO 0.00 -0.88 -0.09 -0.13 -0.69 0.00 0.00 174.62 172.83 1q81 s ARG 87 N -5.06 2.15 -0.04 4.92 1.81 -1.26 -1.43 118.95 120.04 1q81 s ARG 87 Ca 0.58 -1.03 -0.00 0.00 -1.72 0.00 0.00 55.73 53.56 1q81 s ARG 87 Cb -0.14 -2.31 0.03 0.00 -0.45 0.00 0.00 34.95 32.08 1q81 s ARG 87 CO 0.55 0.50 -0.00 0.08 -0.68 0.00 0.00 175.30 175.75 1q81 s VAL 88 N -1.25 0.25 0.03 3.52 1.01 0.08 -4.89 120.40 119.14 1q81 s VAL 88 Ca 0.22 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.30 1q81 s VAL 88 Cb -0.11 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 1q81 s VAL 88 CO 0.14 0.18 -0.05 -1.59 0.00 0.00 0.00 175.10 173.78 1q81 s LYS 89 N 1.29 0.39 0.45 2.72 -2.85 -1.26 -0.30 119.74 120.19 1q81 s LYS 89 Ca -0.06 -0.59 0.05 0.00 -1.00 0.00 0.00 55.97 54.38 1q81 s LYS 89 Cb -0.13 -0.12 0.05 0.00 -2.06 0.00 0.00 37.83 35.57 1q81 s LYS 89 CO -0.02 0.01 0.45 1.19 0.10 0.00 0.00 175.35 177.08 1q81 n PHE 90 N 1.78 -1.43 0.27 1.78 3.01 -0.67 -5.03 117.46 117.17 1q81 n PHE 90 Ca -0.22 -1.80 0.12 0.00 1.01 0.00 0.00 57.45 56.57 1q81 n PHE 90 Cb 0.56 -0.39 0.20 0.00 -0.01 0.00 0.00 39.48 39.83 1q81 n PHE 90 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1q81 h GLU 91 N 0.00 0.00 0.00 -1.08 4.22 -1.94 -3.40 114.58 112.39 1q81 h GLU 91 Ca -0.25 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.14 1q81 h GLU 91 Cb 1.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 1q81 h GLU 91 CO 0.39 0.00 0.15 -0.40 -2.18 0.00 0.00 179.01 176.96 1q81 n ASP 92 N -2.99 -1.44 -4.29 1.04 5.75 -1.26 -4.94 116.55 108.42 1q81 n ASP 92 Ca 0.04 -2.08 -0.36 0.00 -0.01 0.00 0.00 54.79 52.39 1q81 n ASP 92 Cb 0.52 2.42 -0.14 0.00 -1.03 0.00 0.00 41.12 42.89 1q81 n ASP 92 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1q81 s ASN 93 N -2.37 4.60 0.05 -1.12 0.01 -1.26 -2.53 114.94 112.32 1q81 s ASN 93 Ca 0.12 -0.63 -0.01 0.00 -0.71 0.00 0.00 52.86 51.63 1q81 s ASN 93 Cb -0.03 -1.77 -0.04 0.00 0.41 0.00 0.00 41.25 39.83 1q81 s ASN 93 CO 0.09 -0.11 -0.03 0.00 -1.51 0.00 0.00 177.10 175.54 1q81 s ALA 94 N 1.44 0.44 0.24 0.60 0.00 -0.47 -1.37 121.76 122.64 1q81 s ALA 94 Ca 0.03 -1.11 -0.03 0.00 0.00 0.00 0.00 51.96 50.85 1q81 s ALA 94 Cb -0.16 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 1q81 s ALA 94 CO -0.02 -0.34 0.27 0.00 0.00 0.00 0.00 175.76 175.67 1q81 s ALA 95 N -3.56 0.87 -0.08 0.00 0.00 -0.07 -1.49 121.76 117.44 1q81 s ALA 95 Ca 0.04 -1.53 0.03 0.00 0.00 0.00 0.00 51.96 50.49 1q81 s ALA 95 Cb 0.05 1.30 0.01 0.00 0.00 0.00 0.00 23.12 24.48 1q81 s ALA 95 CO -0.09 -0.68 -0.16 0.08 0.00 0.00 0.00 175.76 174.91 1q81 s VAL 96 N -3.92 1.41 0.37 0.00 1.01 -0.17 -1.23 120.40 117.87 1q81 s VAL 96 Ca 0.34 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.40 1q81 s VAL 96 Cb 0.04 -1.26 -0.11 0.00 0.00 0.00 0.00 36.38 35.05 1q81 s VAL 96 CO 0.14 0.42 1.46 -0.63 0.00 0.00 0.00 175.10 176.49 1q81 s ILE 97 N 0.57 2.15 0.23 2.22 1.01 -1.26 -1.39 121.20 124.72 1q81 s ILE 97 Ca -0.16 0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.66 1q81 s ILE 97 Cb -0.16 -3.10 -0.05 0.00 0.01 0.00 0.00 42.46 39.16 1q81 s ILE 97 CO 0.05 0.04 0.06 0.54 0.00 0.00 0.00 174.94 175.63 1q81 s VAL 98 N -1.12 0.61 0.00 2.92 0.11 -0.61 -2.66 120.40 119.65 1q81 s VAL 98 Ca 0.52 -1.99 0.00 0.00 -2.93 0.00 0.00 61.98 57.58 1q81 s VAL 98 Cb -0.45 -2.46 0.00 0.00 -1.53 0.00 0.00 36.38 31.94 1q81 s VAL 98 CO 0.62 -0.17 0.00 -0.90 -3.33 0.00 0.00 175.10 171.32 1q81 n ASP 99 N -0.39 0.84 -0.34 3.54 5.68 -0.88 -4.20 116.55 120.80 1q81 n ASP 99 Ca -0.02 -0.36 -0.01 0.00 -0.50 0.00 0.00 54.79 53.90 1q81 n ASP 99 Cb 0.65 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.78 1q81 n ASP 99 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1q81 h GLU 100 N 0.00 1.24 -0.03 0.11 5.08 -1.99 -1.84 114.58 117.15 1q81 h GLU 100 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1q81 h GLU 100 Cb 0.00 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 28.97 1q81 h GLU 100 CO 0.00 0.82 0.00 0.09 -1.00 0.00 0.00 179.01 178.92 1q81 n ASN 101 N -4.39 1.30 -0.27 1.42 3.02 -1.26 -4.91 115.26 110.17 1q81 n ASN 101 Ca 0.11 -1.46 -0.03 0.00 -0.03 0.00 0.00 54.58 53.17 1q81 n ASN 101 Cb 0.02 -0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 39.17 1q81 n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1q81 n GLU 102 N 0.03 -0.23 -3.49 3.52 1.02 -0.69 -5.03 120.64 115.77 1q81 n GLU 102 Ca 0.19 0.50 -0.37 0.00 -0.02 0.00 0.00 57.16 57.46 1q81 n GLU 102 Cb 0.32 -4.14 -0.06 0.00 -0.02 0.00 0.00 31.44 27.53 1q81 n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1q81 s ASP 103 N -2.94 6.60 0.02 1.62 1.01 -1.26 -4.47 116.67 117.25 1q81 s ASP 103 Ca 0.00 0.71 -0.36 0.00 0.71 0.00 0.00 52.55 53.60 1q81 s ASP 103 Cb 0.00 -2.22 -0.15 0.00 1.01 0.00 0.00 42.92 41.56 1q81 s ASP 103 CO 0.00 0.15 1.56 -0.81 0.21 0.00 0.00 175.17 176.28 1q81 n PRO 104 N 3.07 1.60 0.21 8.23 -0.04 -1.26 -2.07 135.00 144.74 1q81 n PRO 104 Ca -0.12 0.58 0.06 0.00 -0.04 0.00 0.00 63.50 63.98 1q81 n PRO 104 Cb 0.52 -2.30 0.53 0.00 -0.04 0.00 0.00 33.50 32.21 1q81 n PRO 104 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1q81 h ARG 105 N 6.09 0.07 0.00 0.54 2.43 -1.80 -3.44 114.38 118.27 1q81 h ARG 105 Ca -0.47 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1q81 h ARG 105 Cb 1.30 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1q81 h ARG 105 CO 0.87 0.16 0.00 0.41 -1.51 0.00 0.00 179.97 179.90 1q81 n GLY 106 N -1.20 -0.24 0.20 2.80 0.00 -1.26 -4.97 105.19 100.52 1q81 n GLY 106 Ca -0.02 -1.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.11 1q81 n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1q81 n THR 107 N -1.48 0.68 -4.53 2.61 -1.04 -1.26 -5.04 114.28 104.22 1q81 n THR 107 Ca 0.00 -0.24 -0.25 0.00 -2.04 0.00 0.00 64.05 61.52 1q81 n THR 107 Cb 0.00 -1.12 -0.14 0.00 -1.82 0.00 0.00 70.33 67.26 1q81 n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1q81 s GLU 108 N -2.24 1.29 -0.23 -2.82 2.02 -1.26 -5.02 118.70 110.44 1q81 s GLU 108 Ca -0.16 -0.99 -0.08 0.00 0.02 0.00 0.00 54.97 53.75 1q81 s GLU 108 Cb 0.05 -1.44 -0.04 0.00 0.10 0.00 0.00 34.13 32.80 1q81 s GLU 108 CO 0.26 0.36 0.10 -0.51 0.02 0.00 0.00 175.26 175.49 1q81 s LEU 109 N -1.36 3.76 -0.19 1.80 1.43 -1.26 -2.56 118.68 120.30 1q81 s LEU 109 Ca 0.07 -0.03 -0.21 0.00 -1.03 0.00 0.00 54.13 52.93 1q81 s LEU 109 Cb -0.09 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1q81 s LEU 109 CO 0.02 0.04 0.64 -0.54 0.23 0.00 0.00 176.35 176.74 1q81 s LYS 110 N 1.17 4.22 0.03 1.70 1.02 -1.08 -4.51 119.74 122.30 1q81 s LYS 110 Ca 0.05 0.63 0.00 0.00 0.02 0.00 0.00 55.97 56.68 1q81 s LYS 110 Cb -0.14 -3.57 0.00 0.00 -0.52 0.00 0.00 37.83 33.60 1q81 s LYS 110 CO 0.04 -0.23 0.00 0.41 -0.92 0.00 0.00 175.35 174.65 1q81 n GLY 111 N 3.76 -3.51 3.86 -3.33 0.00 -1.26 -4.64 105.19 100.07 1q81 n GLY 111 Ca -0.01 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.79 1q81 n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1q81 s PRO 112 N -0.90 2.86 0.01 1.61 0.04 -1.26 -4.33 135.00 133.03 1q81 s PRO 112 Ca 0.00 0.58 -0.01 0.00 0.04 0.00 0.00 61.00 61.62 1q81 s PRO 112 Cb 0.00 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1q81 s PRO 112 CO 0.00 -1.06 0.00 0.42 0.04 0.00 0.00 177.00 176.40 1q81 s ILE 113 N -3.27 0.06 0.17 0.56 1.01 -0.25 -4.86 121.20 114.61 1q81 s ILE 113 Ca 0.58 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.44 1q81 s ILE 113 Cb -0.12 -0.17 -0.08 0.00 0.01 0.00 0.00 42.46 42.11 1q81 s ILE 113 CO 0.53 -0.27 1.19 0.00 0.00 0.00 0.00 174.94 176.39 1q81 s ALA 114 N -0.79 3.43 0.18 9.38 0.00 -1.22 -0.14 121.76 132.59 1q81 s ALA 114 Ca -0.09 0.92 -0.16 0.00 0.00 0.00 0.00 51.96 52.64 1q81 s ALA 114 Cb -0.05 -3.41 0.13 0.00 0.00 0.00 0.00 23.12 19.78 1q81 s ALA 114 CO -0.00 -0.36 1.66 0.07 0.00 0.00 0.00 175.76 177.13 1q81 h ARG 115 N 5.46 0.02 -1.43 0.00 0.11 -1.76 -1.80 114.38 114.98 1q81 h ARG 115 Ca -0.44 -0.00 0.47 0.00 0.10 0.00 0.00 59.98 60.11 1q81 h ARG 115 Cb 1.21 -0.00 -0.12 0.00 1.11 0.00 0.00 29.97 32.16 1q81 h ARG 115 CO 0.75 0.01 0.94 0.93 0.10 0.00 0.00 179.97 182.70 1q81 h GLU 116 N 0.02 0.04 0.00 0.08 3.07 -1.87 0.96 114.58 116.88 1q81 h GLU 116 Ca 0.22 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.07 1q81 h GLU 116 Cb 0.33 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1q81 h GLU 116 CO -0.45 0.03 -0.04 0.28 -1.40 0.00 0.00 179.01 177.43 1q81 h VAL 117 N 0.04 0.83 0.46 3.13 2.07 -1.64 -2.86 116.25 118.27 1q81 h VAL 117 Ca 0.86 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 68.20 1q81 h VAL 117 Cb 2.83 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 33.68 1q81 h VAL 117 CO -0.38 0.04 -0.32 0.00 0.02 0.00 0.00 177.57 176.93 1q81 h ALA 118 N 1.96 -1.10 0.00 1.67 0.00 0.82 -0.45 119.26 122.15 1q81 h ALA 118 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1q81 h ALA 118 Cb 0.09 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1q81 h ALA 118 CO 0.01 -1.09 0.02 1.04 0.00 0.00 0.00 179.25 179.23 1q81 n GLN 119 N -4.38 0.00 0.00 0.00 6.02 -1.08 -1.39 117.38 116.55 1q81 n GLN 119 Ca -0.09 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 1q81 n GLN 119 Cb 0.32 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.06 1q81 n GLN 119 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1q81 n ARG 120 N -0.67 0.00 -3.93 -1.09 1.74 -1.03 -4.87 116.66 106.80 1q81 n ARG 120 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 1q81 n ARG 120 Cb 0.02 -0.57 -0.14 0.00 -1.02 0.00 0.00 32.46 30.75 1q81 n ARG 120 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1q81 s PHE 121 N -1.81 3.10 0.00 -1.55 2.99 -0.21 -5.00 117.98 115.50 1q81 s PHE 121 Ca 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 56.93 53.80 1q81 s PHE 121 Cb 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 43.02 40.26 1q81 s PHE 121 CO 0.00 -0.74 0.84 0.41 -0.00 0.00 0.00 175.22 175.72 1q81 n GLY 122 N 3.14 -2.69 0.33 4.36 0.00 -1.21 -1.13 105.19 107.98 1q81 n GLY 122 Ca 0.05 0.07 0.27 0.00 0.00 0.00 0.00 46.02 46.42 1q81 n GLY 122 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1q81 h SER 123 N 0.00 0.17 0.37 1.61 4.64 -1.93 1.67 113.55 120.08 1q81 h SER 123 Ca 0.00 0.26 -0.02 0.00 -0.47 0.00 0.00 61.79 61.56 1q81 h SER 123 Cb 0.00 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1q81 h SER 123 CO 0.00 -0.38 -0.18 0.58 -0.87 0.00 0.00 176.83 175.97 1q81 h VAL 124 N 0.04 0.62 0.28 0.95 2.07 -1.76 -2.47 116.25 115.98 1q81 h VAL 124 Ca 0.78 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.30 1q81 h VAL 124 Cb 1.94 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 32.30 1q81 h VAL 124 CO -0.78 0.00 -0.47 0.00 0.02 0.00 0.00 177.57 176.33 1q81 h ALA 125 N 0.13 -0.96 0.00 1.67 0.00 0.37 -0.63 119.26 119.84 1q81 h ALA 125 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1q81 h ALA 125 Cb 0.39 0.75 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1q81 h ALA 125 CO 0.08 -1.09 0.00 -1.13 0.00 0.00 0.00 179.25 177.10 1q81 n SER 126 N -5.51 0.00 -0.00 0.00 3.41 0.23 0.78 113.62 112.53 1q81 n SER 126 Ca -0.10 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.56 1q81 n SER 126 Cb 0.42 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 1q81 n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q81 n ALA 127 N -0.74 3.03 -1.77 7.33 0.00 -0.26 -5.02 120.51 123.08 1q81 n ALA 127 Ca 0.00 -0.25 -0.38 0.00 0.00 0.00 0.00 53.44 52.82 1q81 n ALA 127 Cb 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 19.45 19.11 1q81 n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q81 s ALA 128 N -1.98 3.07 -0.13 0.00 0.00 0.23 -4.15 121.76 118.80 1q81 s ALA 128 Ca 0.02 0.97 -0.09 0.00 0.00 0.00 0.00 51.96 52.86 1q81 s ALA 128 Cb 0.07 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 1q81 s ALA 128 CO 0.37 -0.61 -0.01 1.15 0.00 0.00 0.00 175.76 176.66 1q81 h THR 129 N 2.11 0.23 -3.13 0.00 2.02 -1.81 -3.47 112.91 108.86 1q81 h THR 129 Ca -0.49 -1.23 -0.66 0.00 0.77 0.00 0.00 66.41 64.80 1q81 h THR 129 Cb 1.24 0.49 -0.35 0.00 -1.74 0.00 0.00 68.15 67.79 1q81 h THR 129 CO 0.61 0.08 -0.86 -0.04 0.37 0.00 0.00 175.52 175.68 1q81 s MET 130 N -2.02 2.92 -0.38 6.66 -1.94 -1.26 -5.10 119.30 118.17 1q81 s MET 130 Ca -0.12 -0.81 -0.01 0.00 -1.71 0.00 0.00 55.69 53.04 1q81 s MET 130 Cb 0.01 -2.45 0.10 0.00 2.01 0.00 0.00 34.83 34.50 1q81 s MET 130 CO 0.22 -0.13 0.15 0.42 -0.01 0.00 0.00 175.02 175.67 1q81 s ILE 131 N 1.11 3.01 -2.00 2.53 1.01 -1.26 -1.09 121.20 124.50 1q81 s ILE 131 Ca -0.00 -2.09 0.30 0.00 0.00 0.00 0.00 60.65 58.87 1q81 s ILE 131 Cb -0.14 -3.08 0.86 0.00 0.01 0.00 0.00 42.46 40.11 1q81 s ILE 131 CO -0.08 -0.63 2.14 0.52 0.00 0.00 0.00 174.94 176.89