#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i21 n LEU 10 N 0.00 5.46 -4.58 4.31 7.94 -1.26 -4.52 117.00 124.35 3i21 n LEU 10 Ca 0.00 -4.65 -0.32 0.00 -1.11 0.00 0.00 56.01 49.93 3i21 n LEU 10 Cb 0.00 -1.56 -0.04 0.00 0.53 0.00 0.00 43.42 42.34 3i21 n LEU 10 CO 0.00 0.97 1.60 -1.10 -1.11 0.00 0.00 177.39 177.75 3i21 s GLN 11 N 0.59 2.89 -0.37 1.96 -1.52 -1.20 -4.91 119.66 117.09 3i21 s GLN 11 Ca 0.39 -1.29 -0.07 0.00 -1.95 0.00 0.00 55.36 52.43 3i21 s GLN 11 Cb -0.03 -5.30 0.05 0.00 -0.22 0.00 0.00 33.01 27.51 3i21 s GLN 11 CO -0.01 -3.48 0.17 -2.00 -0.25 0.00 0.00 175.29 169.72 3i21 s GLU 12 N 5.94 2.60 -0.06 2.91 2.12 -1.26 -3.59 118.70 127.35 3i21 s GLU 12 Ca 0.64 -1.29 -0.02 0.00 0.36 0.00 0.00 54.97 54.66 3i21 s GLU 12 Cb -0.00 -3.59 0.03 0.00 0.26 0.00 0.00 34.13 30.83 3i21 s GLU 12 CO 0.10 -0.78 0.07 0.21 -0.54 0.00 0.00 175.26 174.32 3i21 s LYS 13 N 1.41 -0.06 1.42 4.30 2.36 -0.38 -5.02 119.74 123.77 3i21 s LYS 13 Ca 0.01 0.32 -0.23 0.00 -2.55 0.00 0.00 55.97 53.52 3i21 s LYS 13 Cb -0.21 -0.68 0.36 0.00 -1.05 0.00 0.00 37.83 36.25 3i21 s LYS 13 CO 0.03 -0.38 0.94 -1.17 1.55 0.00 0.00 175.35 176.32 3i21 s LEU 14 N 2.17 -1.04 0.00 5.43 2.96 -1.26 -0.95 118.68 125.98 3i21 s LEU 14 Ca 0.05 0.81 0.00 0.00 -0.22 0.00 0.00 54.13 54.77 3i21 s LEU 14 Cb -0.13 -2.24 0.00 0.00 0.50 0.00 0.00 46.19 44.32 3i21 s LEU 14 CO -0.04 -5.33 0.00 -0.38 -1.32 0.00 0.00 176.35 169.28 3i21 n ILE 15 N -5.61 0.00 -3.57 6.68 5.41 -1.13 -4.67 119.36 116.48 3i21 n ILE 15 Ca 0.13 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.77 3i21 n ILE 15 Cb 0.60 -0.24 -0.05 0.00 -0.71 0.00 0.00 39.64 39.25 3i21 n ILE 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i21 s ALA 16 N -1.65 -1.92 -0.07 -1.39 0.00 -1.25 -4.96 121.76 110.51 3i21 s ALA 16 Ca 0.00 1.52 -0.07 0.00 0.00 0.00 0.00 51.96 53.42 3i21 s ALA 16 Cb 0.00 -0.57 0.02 0.00 0.00 0.00 0.00 23.12 22.57 3i21 s ALA 16 CO 0.00 -0.35 0.20 0.54 0.00 0.00 0.00 175.76 176.15 3i21 s VAL 17 N -1.31 -0.00 0.32 0.00 0.11 -1.26 -0.14 120.40 118.12 3i21 s VAL 17 Ca -0.01 0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 3i21 s VAL 17 Cb -0.00 -0.28 -0.02 0.00 -1.53 0.00 0.00 36.38 34.54 3i21 s VAL 17 CO 0.01 0.01 0.34 0.54 -3.33 0.00 0.00 175.10 172.67 3i21 s ASN 18 N 0.22 1.26 -0.29 3.54 4.22 0.10 -4.97 114.94 119.03 3i21 s ASN 18 Ca -0.01 -1.62 0.03 0.00 -2.14 0.00 0.00 52.86 49.12 3i21 s ASN 18 Cb -0.02 0.58 0.08 0.00 1.28 0.00 0.00 41.25 43.17 3i21 s ASN 18 CO -0.01 -1.13 -0.04 -0.60 -2.04 0.00 0.00 177.10 173.28 3i21 s ARG 19 N -3.36 1.84 0.28 3.55 3.52 -1.26 -0.02 118.95 123.50 3i21 s ARG 19 Ca 0.37 -1.50 -0.01 0.00 -0.13 0.00 0.00 55.73 54.46 3i21 s ARG 19 Cb 0.02 -2.94 0.06 0.00 -1.56 0.00 0.00 34.95 30.52 3i21 s ARG 19 CO 0.24 -0.72 0.38 1.33 -0.81 0.00 0.00 175.30 175.71 3i21 n VAL 20 N 4.40 0.00 -4.39 7.11 0.24 -1.19 -5.00 118.33 119.50 3i21 n VAL 20 Ca -0.07 -0.56 -0.21 0.00 -2.04 0.00 0.00 64.34 61.46 3i21 n VAL 20 Cb 0.42 -1.26 -0.09 0.00 -1.47 0.00 0.00 33.84 31.45 3i21 n VAL 20 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3i21 s SER 21 N -2.52 2.03 -0.30 -1.34 0.15 -1.26 -4.48 113.70 105.98 3i21 s SER 21 Ca 0.25 -1.65 -0.04 0.00 0.70 0.00 0.00 55.95 55.21 3i21 s SER 21 Cb -0.01 0.47 0.19 0.00 -1.71 0.00 0.00 66.02 64.96 3i21 s SER 21 CO 0.16 -0.95 0.82 -0.75 1.20 0.00 0.00 173.24 173.73 3i21 s LYS 22 N -3.68 0.35 -0.19 5.44 2.20 -1.26 -4.98 119.74 117.62 3i21 s LYS 22 Ca 0.33 0.42 -0.25 0.00 -0.36 0.00 0.00 55.97 56.10 3i21 s LYS 22 Cb 0.03 0.21 -0.01 0.00 -1.51 0.00 0.00 37.83 36.55 3i21 s LYS 22 CO 0.19 -0.59 0.84 0.99 -0.36 0.00 0.00 175.35 176.41 3i21 s THR 23 N 2.90 4.86 0.00 3.43 2.01 -1.26 -2.36 115.64 125.22 3i21 s THR 23 Ca 0.16 1.63 0.00 0.00 0.31 0.00 0.00 61.69 63.79 3i21 s THR 23 Cb -0.08 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 68.30 3i21 s THR 23 CO -0.22 -0.01 0.00 1.33 -0.69 0.00 0.00 174.62 175.03 3i21 n VAL 24 N 4.92 0.00 0.42 3.82 0.24 -0.44 -5.01 118.33 122.27 3i21 n VAL 24 Ca 0.05 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.47 3i21 n VAL 24 Cb 0.48 -0.15 0.14 0.00 -1.47 0.00 0.00 33.84 32.84 3i21 n VAL 24 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 3i21 h LYS 25 N 0.00 0.00 0.00 7.34 2.10 -1.97 -3.30 116.57 120.74 3i21 h LYS 25 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3i21 h LYS 25 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3i21 h LYS 25 CO 0.00 0.00 -1.01 0.41 -2.00 0.00 0.00 179.45 176.85 3i21 n GLY 26 N 1.27 -1.18 0.00 0.07 0.00 -1.26 -5.06 105.19 99.03 3i21 n GLY 26 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3i21 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i21 n GLY 27 N 1.39 0.09 3.87 -0.02 0.00 -1.24 -5.12 105.19 104.15 3i21 n GLY 27 Ca 0.02 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 3i21 n GLY 27 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i21 s ARG 28 N 0.00 2.45 0.00 1.61 3.52 -1.26 -1.33 118.95 123.93 3i21 s ARG 28 Ca 0.00 -1.64 0.00 0.00 -0.13 0.00 0.00 55.73 53.96 3i21 s ARG 28 Cb 0.00 -2.30 0.00 0.00 -1.56 0.00 0.00 34.95 31.09 3i21 s ARG 28 CO 0.00 -0.26 0.00 1.51 -0.81 0.00 0.00 175.30 175.74 3i21 n ILE 29 N -1.56 0.00 0.00 4.11 3.06 -0.99 -4.80 119.36 119.18 3i21 n ILE 29 Ca 0.03 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.28 3i21 n ILE 29 Cb 0.62 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.80 3i21 n ILE 29 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 3i21 n PHE 30 N 0.00 0.00 -1.65 9.51 3.01 -1.26 -4.86 117.46 122.21 3i21 n PHE 30 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3i21 n PHE 30 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 3i21 n PHE 30 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3i21 n SER 31 N -0.02 -8.39 -4.15 4.37 3.41 -1.26 -4.18 113.62 103.41 3i21 n SER 31 Ca 0.00 1.44 -0.20 0.00 -0.26 0.00 0.00 58.87 59.85 3i21 n SER 31 Cb 0.00 -5.03 -0.09 0.00 -0.26 0.00 0.00 64.21 58.83 3i21 n SER 31 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3i21 s PHE 32 N -4.16 1.66 -0.10 7.33 0.08 0.55 -3.16 117.98 120.18 3i21 s PHE 32 Ca 0.00 -1.26 -0.04 0.00 0.12 0.00 0.00 56.93 55.75 3i21 s PHE 32 Cb 0.00 -0.97 0.05 0.00 -0.57 0.00 0.00 43.02 41.53 3i21 s PHE 32 CO 0.00 -0.37 0.21 -0.08 -0.10 0.00 0.00 175.22 174.88 3i21 s THR 33 N -3.54 -0.14 0.16 0.64 -1.32 0.97 -2.12 115.64 110.29 3i21 s THR 33 Ca 0.34 0.21 0.08 0.00 -1.21 0.00 0.00 61.69 61.11 3i21 s THR 33 Cb 0.06 -0.34 -0.04 0.00 -1.51 0.00 0.00 72.50 70.67 3i21 s THR 33 CO 0.16 0.09 -0.06 0.00 -2.21 0.00 0.00 174.62 172.59 3i21 s ALA 34 N 1.59 3.04 0.02 11.08 0.00 -1.22 -0.72 121.76 135.55 3i21 s ALA 34 Ca -0.06 -1.37 0.04 0.00 0.00 0.00 0.00 51.96 50.57 3i21 s ALA 34 Cb -0.11 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 3i21 s ALA 34 CO -0.07 0.52 -0.13 -1.17 0.00 0.00 0.00 175.76 174.91 3i21 s LEU 35 N -2.69 2.13 0.20 0.00 1.98 0.81 -0.21 118.68 120.89 3i21 s LEU 35 Ca 0.25 -0.38 -0.16 0.00 -2.89 0.00 0.00 54.13 50.95 3i21 s LEU 35 Cb -0.10 -0.56 0.02 0.00 0.66 0.00 0.00 46.19 46.21 3i21 s LEU 35 CO 0.16 0.05 0.49 0.42 -1.89 0.00 0.00 176.35 175.58 3i21 s THR 36 N -0.69 0.03 0.01 3.68 -4.23 -0.88 -2.82 115.64 110.74 3i21 s THR 36 Ca 0.02 -0.96 0.02 0.00 -1.18 0.00 0.00 61.69 59.58 3i21 s THR 36 Cb -0.07 -1.71 -0.01 0.00 1.34 0.00 0.00 72.50 72.05 3i21 s THR 36 CO 0.01 -0.13 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.21 3i21 s VAL 37 N -3.91 0.41 0.00 2.29 1.01 -0.13 -2.54 120.40 117.54 3i21 s VAL 37 Ca 0.12 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3i21 s VAL 37 Cb -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.98 3i21 s VAL 37 CO -0.01 -0.05 0.00 0.52 0.00 0.00 0.00 175.10 175.56 3i21 n VAL 38 N 2.50 0.00 0.00 2.92 0.31 -1.25 -1.25 118.33 121.56 3i21 n VAL 38 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3i21 n VAL 38 Cb 0.57 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 3i21 n VAL 38 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i21 n GLY 39 N 5.00 1.07 0.00 2.92 0.00 -1.24 -4.36 105.19 108.58 3i21 n GLY 39 Ca 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.94 3i21 n GLY 39 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i21 n ASP 40 N 0.00 0.00 0.00 1.61 5.75 -0.51 -3.27 116.55 120.13 3i21 n ASP 40 Ca 0.00 -0.77 0.00 0.00 -0.01 0.00 0.00 54.79 54.01 3i21 n ASP 40 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3i21 n ASP 40 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i21 n GLY 41 N 0.00 2.63 0.00 6.12 0.00 0.15 -4.79 105.19 109.30 3i21 n GLY 41 Ca 0.00 -0.66 0.13 0.00 0.00 0.00 0.00 46.02 45.49 3i21 n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i21 n ASN 42 N 1.39 0.00 0.00 1.61 3.02 -1.23 -2.75 115.26 117.30 3i21 n ASN 42 Ca 0.00 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 3i21 n ASN 42 Cb 0.00 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3i21 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i21 n GLY 43 N 0.62 0.86 2.65 7.41 0.00 0.14 -4.98 105.19 111.89 3i21 n GLY 43 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 3i21 n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i21 s ARG 44 N 0.28 0.36 0.08 1.61 0.52 -1.25 0.49 118.95 121.04 3i21 s ARG 44 Ca 0.00 -0.53 0.07 0.00 -0.52 0.00 0.00 55.73 54.76 3i21 s ARG 44 Cb 0.00 -0.90 -0.04 0.00 0.52 0.00 0.00 34.95 34.53 3i21 s ARG 44 CO 0.00 -1.08 -0.13 0.54 0.02 0.00 0.00 175.30 174.65 3i21 s VAL 45 N 1.97 3.14 -0.33 3.52 0.11 -1.00 -2.76 120.40 125.06 3i21 s VAL 45 Ca 0.12 -1.25 0.06 0.00 -2.93 0.00 0.00 61.98 57.97 3i21 s VAL 45 Cb -0.16 -2.42 0.19 0.00 -1.53 0.00 0.00 36.38 32.46 3i21 s VAL 45 CO -0.25 0.19 0.59 -0.83 -3.33 0.00 0.00 175.10 171.46 3i21 s GLY 46 N -1.93 -1.20 0.54 6.54 0.00 -1.26 -0.12 107.32 109.88 3i21 s GLY 46 Ca 0.19 0.73 -0.09 0.00 0.00 0.00 0.00 44.72 45.54 3i21 s GLY 46 CO 0.10 3.62 0.49 1.97 0.00 0.00 0.00 173.10 179.29 3i21 n PHE 47 N 5.11 -3.42 -3.63 1.90 -1.74 -1.26 -4.10 117.46 110.32 3i21 n PHE 47 Ca 0.07 -0.44 -0.13 0.00 -0.56 0.00 0.00 57.45 56.38 3i21 n PHE 47 Cb 0.54 -0.50 -0.07 0.00 1.52 0.00 0.00 39.48 40.97 3i21 n PHE 47 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 3i21 s GLY 48 N -3.41 -0.54 -0.30 4.97 0.00 -1.05 -4.19 107.32 102.80 3i21 s GLY 48 Ca 0.32 2.10 -0.04 0.00 0.00 0.00 0.00 44.72 47.09 3i21 s GLY 48 CO 0.24 1.84 0.04 -0.47 0.00 0.00 0.00 173.10 174.75 3i21 s TYR 49 N 0.54 3.19 0.00 1.90 5.04 -1.26 -2.07 117.35 124.68 3i21 s TYR 49 Ca -0.01 -1.44 0.00 0.00 -2.44 0.00 0.00 57.07 53.18 3i21 s TYR 49 Cb -0.05 -2.18 0.00 0.00 0.35 0.00 0.00 41.96 40.08 3i21 s TYR 49 CO -0.02 -0.71 0.00 0.41 -1.34 0.00 0.00 175.55 173.89 3i21 n GLY 50 N 4.75 1.25 0.00 8.97 0.00 0.71 -4.78 105.19 116.09 3i21 n GLY 50 Ca -0.14 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.87 3i21 n GLY 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i21 n LYS 51 N -0.83 0.00 -3.84 1.61 4.81 -1.25 -3.38 118.16 115.28 3i21 n LYS 51 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.47 3i21 n LYS 51 Cb 0.00 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.06 3i21 n LYS 51 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i21 s ALA 52 N -0.39 -2.56 -1.20 3.14 0.00 -0.90 -4.73 121.76 115.12 3i21 s ALA 52 Ca 0.00 0.41 0.20 0.00 0.00 0.00 0.00 51.96 52.56 3i21 s ALA 52 Cb 0.00 0.67 0.92 0.00 0.00 0.00 0.00 23.12 24.71 3i21 s ALA 52 CO 0.00 -1.12 1.63 0.54 0.00 0.00 0.00 175.76 176.80 3i21 n ARG 53 N -0.77 0.14 -3.97 0.00 1.74 -1.26 -0.33 116.66 112.20 3i21 n ARG 53 Ca -0.01 0.13 -0.18 0.00 -0.77 0.00 0.00 57.85 57.03 3i21 n ARG 53 Cb 0.60 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.38 3i21 n ARG 53 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3i21 s GLU 54 N -2.80 0.40 0.29 5.56 -1.05 -1.26 -4.52 118.70 115.32 3i21 s GLU 54 Ca 0.14 0.04 0.02 0.00 -0.15 0.00 0.00 54.97 55.02 3i21 s GLU 54 Cb 0.13 -0.55 0.71 0.00 -0.44 0.00 0.00 34.13 33.98 3i21 s GLU 54 CO 0.33 -0.12 1.64 0.28 0.95 0.00 0.00 175.26 178.34 3i21 h VAL 55 N 6.22 0.29 0.00 1.83 2.07 -1.96 -0.36 116.25 124.34 3i21 h VAL 55 Ca -0.41 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3i21 h VAL 55 Cb 1.14 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3i21 h VAL 55 CO 0.47 0.03 0.00 -0.81 0.02 0.00 0.00 177.57 177.29 3i21 n PRO 56 N -5.25 0.00 -0.67 1.57 -0.04 -1.26 -1.53 135.00 127.82 3i21 n PRO 56 Ca 0.21 0.04 0.51 0.00 -0.04 0.00 0.00 63.50 64.22 3i21 n PRO 56 Cb 0.69 -0.65 0.79 0.00 -0.04 0.00 0.00 33.50 34.29 3i21 n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i21 n ALA 57 N -2.31 1.80 -0.27 0.55 0.00 -1.21 0.26 120.51 119.33 3i21 n ALA 57 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 53.44 54.12 3i21 n ALA 57 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3i21 n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i21 n ALA 58 N -2.85 -0.19 -0.34 0.00 0.00 -0.15 -0.09 120.51 116.89 3i21 n ALA 58 Ca 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.87 3i21 n ALA 58 Cb 1.93 0.21 0.13 0.00 0.00 0.00 0.00 19.45 21.72 3i21 n ALA 58 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3i21 h ILE 59 N 0.00 1.13 -0.52 0.00 2.10 0.88 -2.10 117.51 119.00 3i21 h ILE 59 Ca 0.00 -0.39 0.10 0.00 1.08 0.00 0.00 64.86 65.65 3i21 h ILE 59 Cb 0.00 -0.10 -0.11 0.00 -1.09 0.00 0.00 36.82 35.52 3i21 h ILE 59 CO 0.00 0.21 -0.30 -0.61 -1.08 0.00 0.00 178.15 176.36 3i21 h GLN 60 N 1.13 -0.17 -0.50 2.19 5.75 -0.79 0.23 115.11 122.95 3i21 h GLN 60 Ca 0.38 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.96 3i21 h GLN 60 Cb 0.05 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.59 3i21 h GLN 60 CO -0.14 -0.11 0.18 0.87 -2.65 0.00 0.00 178.83 176.98 3i21 h LYS 61 N -0.17 0.35 -0.14 1.69 1.57 0.16 0.44 116.57 120.47 3i21 h LYS 61 Ca 0.22 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.00 3i21 h LYS 61 Cb 0.53 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 3i21 h LYS 61 CO -0.62 0.23 -0.29 0.00 -0.57 0.00 0.00 179.45 178.20 3i21 h ALA 62 N 1.33 -0.62 -0.61 3.86 0.00 -0.22 -0.46 119.26 122.55 3i21 h ALA 62 Ca 0.24 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.26 3i21 h ALA 62 Cb 0.25 0.87 -0.10 0.00 0.00 0.00 0.00 17.79 18.81 3i21 h ALA 62 CO -0.24 -0.74 0.02 0.52 0.00 0.00 0.00 179.25 178.81 3i21 h MET 63 N -0.26 0.13 -0.60 0.00 2.86 -0.02 1.13 114.93 118.16 3i21 h MET 63 Ca 0.03 -0.01 0.17 0.00 -2.06 0.00 0.00 59.70 57.83 3i21 h MET 63 Cb 0.34 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 3i21 h MET 63 CO -0.27 0.08 0.43 0.93 1.06 0.00 0.00 176.91 179.14 3i21 h GLU 64 N 0.13 0.04 0.00 1.72 4.39 0.13 1.40 114.58 122.38 3i21 h GLU 64 Ca 0.32 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.02 3i21 h GLU 64 Cb 0.51 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3i21 h GLU 64 CO -0.51 0.02 -0.81 1.17 -1.16 0.00 0.00 179.01 177.73 3i21 n LYS 65 N -4.37 2.08 -0.03 2.33 3.00 -0.15 -4.11 118.16 116.91 3i21 n LYS 65 Ca 0.11 -0.02 -0.14 0.00 -0.00 0.00 0.00 58.31 58.26 3i21 n LYS 65 Cb 0.65 -1.19 -0.11 0.00 0.00 0.00 0.00 35.03 34.38 3i21 n LYS 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i21 h ALA 66 N 1.89 0.03 -0.92 3.14 0.00 0.34 -3.19 119.26 120.55 3i21 h ALA 66 Ca 0.00 -0.41 0.26 0.00 0.00 0.00 0.00 54.91 54.77 3i21 h ALA 66 Cb 0.38 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.01 3i21 h ALA 66 CO 0.00 -0.02 0.17 -0.09 0.00 0.00 0.00 179.25 179.30 3i21 h ARG 67 N -0.57 0.10 0.00 0.00 9.65 0.16 -3.41 114.38 120.30 3i21 h ARG 67 Ca -0.01 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 3i21 h ARG 67 Cb 0.85 -0.02 0.01 0.00 -1.39 0.00 0.00 29.97 29.41 3i21 h ARG 67 CO 0.02 0.06 0.02 0.54 2.80 0.00 0.00 179.97 183.42 3i21 n ARG 68 N -5.34 -0.05 -2.65 0.20 1.74 -1.20 -4.52 116.66 104.83 3i21 n ARG 68 Ca 0.23 -0.11 -0.06 0.00 -0.77 0.00 0.00 57.85 57.14 3i21 n ARG 68 Cb 0.76 -0.07 0.00 0.00 -1.02 0.00 0.00 32.46 32.12 3i21 n ARG 68 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3i21 n ASN 69 N -3.05 -1.06 -4.59 0.55 6.94 -1.26 -4.79 115.26 108.01 3i21 n ASN 69 Ca 0.01 -0.20 -0.41 0.00 -0.02 0.00 0.00 54.58 53.97 3i21 n ASN 69 Cb 0.03 -0.35 -0.08 0.00 -2.36 0.00 0.00 39.78 37.03 3i21 n ASN 69 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3i21 s MET 70 N -2.43 3.84 0.47 -3.83 1.00 -1.26 -4.25 119.30 112.84 3i21 s MET 70 Ca 0.01 0.10 -0.19 0.00 0.00 0.00 0.00 55.69 55.60 3i21 s MET 70 Cb -0.00 -3.74 -0.09 0.00 0.00 0.00 0.00 34.83 31.00 3i21 s MET 70 CO 0.20 -0.52 0.98 -1.50 0.00 0.00 0.00 175.02 174.18 3i21 s ILE 71 N 2.41 4.29 -0.61 2.53 1.10 0.83 -4.85 121.20 126.89 3i21 s ILE 71 Ca 0.21 1.31 -0.22 0.00 -0.51 0.00 0.00 60.65 61.43 3i21 s ILE 71 Cb -0.15 -3.59 0.06 0.00 0.15 0.00 0.00 42.46 38.93 3i21 s ILE 71 CO 0.12 -0.42 0.91 0.21 -2.11 0.00 0.00 174.94 173.64 3i21 s ASN 72 N -2.43 6.22 -0.04 4.50 3.84 -1.26 -2.37 114.94 123.39 3i21 s ASN 72 Ca 0.62 -0.87 -0.24 0.00 0.21 0.00 0.00 52.86 52.59 3i21 s ASN 72 Cb -0.11 -2.40 -0.04 0.00 -0.55 0.00 0.00 41.25 38.15 3i21 s ASN 72 CO 0.21 -1.32 0.71 -0.69 -2.79 0.00 0.00 177.10 173.22 3i21 s VAL 73 N 3.80 4.98 0.63 -5.21 1.01 0.18 -4.94 120.40 120.86 3i21 s VAL 73 Ca 0.23 1.48 -0.12 0.00 0.00 0.00 0.00 61.98 63.57 3i21 s VAL 73 Cb -0.17 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 3i21 s VAL 73 CO 0.12 0.28 1.04 0.00 0.00 0.00 0.00 175.10 176.54 3i21 s ALA 74 N 0.58 2.94 0.00 5.51 0.00 -1.26 -4.62 121.76 124.91 3i21 s ALA 74 Ca 0.38 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.35 3i21 s ALA 74 Cb -0.18 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.82 3i21 s ALA 74 CO 0.19 -0.83 0.00 -0.11 0.00 0.00 0.00 175.76 175.01 3i21 n LEU 75 N -2.75 0.00 -3.95 0.00 -0.00 -1.26 -4.87 117.00 104.17 3i21 n LEU 75 Ca 0.07 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.94 3i21 n LEU 75 Cb 0.54 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.82 3i21 n LEU 75 CO 0.56 0.00 -0.39 0.20 -0.00 0.00 0.00 177.39 177.76 3i21 s ASN 76 N 0.00 0.45 -1.10 1.96 0.02 -1.22 -4.83 114.94 110.22 3i21 s ASN 76 Ca 0.00 -0.17 0.00 0.00 -1.02 0.00 0.00 52.86 51.67 3i21 s ASN 76 Cb 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 41.25 41.25 3i21 s ASN 76 CO 0.00 -0.02 0.00 -3.20 0.02 0.00 0.00 177.10 173.90 3i21 n ASN 77 N 2.67 -4.08 -2.11 -1.22 2.85 -1.26 -2.41 115.26 109.69 3i21 n ASN 77 Ca -0.15 0.17 -0.19 0.00 -0.11 0.00 0.00 54.58 54.30 3i21 n ASN 77 Cb 0.58 -2.84 -0.04 0.00 1.24 0.00 0.00 39.78 38.72 3i21 n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3i21 n GLY 78 N -1.39 0.32 3.25 8.20 0.00 -1.26 -4.97 105.19 109.34 3i21 n GLY 78 Ca -0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 3i21 n GLY 78 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i21 s THR 79 N -2.85 1.32 -1.02 2.61 -1.32 -1.01 -4.77 115.64 108.60 3i21 s THR 79 Ca 0.00 -1.84 -0.07 0.00 -1.21 0.00 0.00 61.69 58.56 3i21 s THR 79 Cb 0.00 -1.65 -0.06 0.00 -1.51 0.00 0.00 72.50 69.28 3i21 s THR 79 CO 0.00 -0.52 2.22 -0.11 -2.21 0.00 0.00 174.62 174.01 3i21 n LEU 80 N 0.27 5.47 0.00 9.08 -0.00 -1.26 -3.41 117.00 127.15 3i21 n LEU 80 Ca -0.13 -3.12 0.00 0.00 -0.00 0.00 0.00 56.01 52.75 3i21 n LEU 80 Cb 0.58 -1.17 0.00 0.00 -0.00 0.00 0.00 43.42 42.83 3i21 n LEU 80 CO 0.29 0.78 0.00 1.67 -0.00 0.00 0.00 177.39 180.13 3i21 n GLN 81 N 4.32 0.00 -4.36 1.96 -0.06 -1.26 -4.08 117.38 113.89 3i21 n GLN 81 Ca 0.50 0.00 -0.19 0.00 -2.00 0.00 0.00 57.00 55.31 3i21 n GLN 81 Cb 0.16 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.24 3i21 n GLN 81 CO 0.00 0.00 0.00 -3.38 -0.20 0.00 0.00 177.06 173.48 3i21 s HIS 82 N 0.00 1.76 0.32 3.69 -3.43 -1.26 -4.88 115.29 111.50 3i21 s HIS 82 Ca 0.00 -0.61 -0.29 0.00 -0.80 0.00 0.00 55.06 53.37 3i21 s HIS 82 Cb 0.00 -0.86 -0.10 0.00 -1.43 0.00 0.00 32.58 30.18 3i21 s HIS 82 CO 0.00 0.34 1.37 -1.25 -2.00 0.00 0.00 174.74 173.20 3i21 s PRO 83 N -3.67 4.29 0.09 -0.38 0.04 -1.26 -4.67 135.00 129.45 3i21 s PRO 83 Ca 0.24 2.30 -0.09 0.00 0.04 0.00 0.00 61.00 63.49 3i21 s PRO 83 Cb 0.00 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.49 3i21 s PRO 83 CO 0.08 -0.30 0.21 0.54 0.04 0.00 0.00 177.00 177.57 3i21 s VAL 84 N -0.91 0.13 -0.23 -0.36 0.11 -1.20 -5.04 120.40 112.92 3i21 s VAL 84 Ca 0.52 -1.15 -0.04 0.00 -2.93 0.00 0.00 61.98 58.38 3i21 s VAL 84 Cb -0.42 -1.35 0.08 0.00 -1.53 0.00 0.00 36.38 33.16 3i21 s VAL 84 CO 0.53 -0.61 0.10 -0.75 -3.33 0.00 0.00 175.10 171.04 3i21 s LYS 85 N -3.86 0.22 0.68 1.54 2.20 -1.26 -2.33 119.74 116.93 3i21 s LYS 85 Ca 0.05 -0.35 0.02 0.00 -0.36 0.00 0.00 55.97 55.34 3i21 s LYS 85 Cb 0.05 -1.63 0.12 0.00 -1.51 0.00 0.00 37.83 34.86 3i21 s LYS 85 CO -0.11 -0.82 0.94 0.20 -0.36 0.00 0.00 175.35 175.21 3i21 s GLY 86 N 2.06 1.75 0.35 5.54 0.00 -1.20 -4.93 107.32 110.88 3i21 s GLY 86 Ca 0.05 -1.88 -0.05 0.00 0.00 0.00 0.00 44.72 42.84 3i21 s GLY 86 CO -0.20 -1.33 0.53 -1.34 0.00 0.00 0.00 173.10 170.76 3i21 s VAL 87 N -3.01 0.00 -0.29 1.40 -7.23 -1.25 -2.38 120.40 107.64 3i21 s VAL 87 Ca 0.65 -1.49 -0.19 0.00 -1.81 0.00 0.00 61.98 59.14 3i21 s VAL 87 Cb -0.05 -2.68 0.16 0.00 0.56 0.00 0.00 36.38 34.37 3i21 s VAL 87 CO 0.43 0.00 1.11 -2.28 -0.31 0.00 0.00 175.10 174.05 3i21 s HIS 88 N -2.91 -0.38 0.00 2.82 2.46 -0.11 -4.33 115.29 112.84 3i21 s HIS 88 Ca 0.28 0.81 0.00 0.00 0.47 0.00 0.00 55.06 56.61 3i21 s HIS 88 Cb -0.01 0.30 0.00 0.00 -0.13 0.00 0.00 32.58 32.74 3i21 s HIS 88 CO 0.19 -0.19 0.00 0.25 -2.47 0.00 0.00 174.74 172.52 3i21 n THR 89 N 3.01 0.00 0.00 0.89 -2.24 -1.26 -1.09 114.28 113.59 3i21 n THR 89 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3i21 n THR 89 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 3i21 n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i21 n GLY 90 N 0.00 -2.90 3.77 3.38 0.00 -1.26 -4.85 105.19 103.32 3i21 n GLY 90 Ca 0.00 0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3i21 n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i21 s SER 91 N -2.26 5.94 -0.13 1.61 0.15 -0.25 -4.31 113.70 114.46 3i21 s SER 91 Ca 0.00 2.41 -0.03 0.00 0.70 0.00 0.00 55.95 59.03 3i21 s SER 91 Cb 0.00 -2.61 0.05 0.00 -1.71 0.00 0.00 66.02 61.75 3i21 s SER 91 CO 0.00 -1.09 0.06 -0.13 1.20 0.00 0.00 173.24 173.29 3i21 s ARG 92 N -2.76 0.19 0.21 5.44 0.52 -0.65 -0.93 118.95 120.96 3i21 s ARG 92 Ca 0.66 0.01 0.11 0.00 -0.52 0.00 0.00 55.73 55.99 3i21 s ARG 92 Cb -0.31 -1.41 -0.04 0.00 0.52 0.00 0.00 34.95 33.70 3i21 s ARG 92 CO 0.38 -0.53 -0.21 0.14 0.02 0.00 0.00 175.30 175.10 3i21 s VAL 93 N 2.08 2.49 0.09 3.52 -7.23 -1.00 -1.84 120.40 118.50 3i21 s VAL 93 Ca 0.03 -2.05 0.07 0.00 -1.81 0.00 0.00 61.98 58.21 3i21 s VAL 93 Cb -0.15 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 3i21 s VAL 93 CO -0.07 -0.17 -0.18 0.12 -0.31 0.00 0.00 175.10 174.50 3i21 s PHE 94 N -1.83 1.51 0.22 2.82 5.36 0.68 -3.25 117.98 123.48 3i21 s PHE 94 Ca 0.23 -0.44 0.01 0.00 -0.96 0.00 0.00 56.93 55.77 3i21 s PHE 94 Cb -0.07 -0.84 -0.05 0.00 -0.34 0.00 0.00 43.02 41.72 3i21 s PHE 94 CO 0.11 0.13 0.07 0.00 -1.46 0.00 0.00 175.22 174.08 3i21 s MET 95 N -1.80 1.27 -0.27 10.12 0.00 -0.99 -0.87 119.30 126.76 3i21 s MET 95 Ca 0.02 -1.66 -0.10 0.00 0.00 0.00 0.00 55.69 53.95 3i21 s MET 95 Cb -0.10 -0.16 0.11 0.00 0.00 0.00 0.00 34.83 34.68 3i21 s MET 95 CO 0.03 -0.26 0.59 -1.14 0.00 0.00 0.00 175.02 174.24 3i21 s GLN 96 N -4.02 0.53 -0.48 3.16 -0.44 -1.11 -3.20 119.66 114.10 3i21 s GLN 96 Ca 0.33 1.29 -0.32 0.00 -2.50 0.00 0.00 55.36 54.16 3i21 s GLN 96 Cb 0.07 0.59 -0.12 0.00 -1.64 0.00 0.00 33.01 31.91 3i21 s GLN 96 CO 0.10 -0.20 2.32 -0.35 0.50 0.00 0.00 175.29 177.66 3i21 n PRO 97 N 5.19 0.93 -2.44 1.67 -0.04 -1.26 -1.71 135.00 137.33 3i21 n PRO 97 Ca -0.13 0.19 -0.34 0.00 -0.04 0.00 0.00 63.50 63.18 3i21 n PRO 97 Cb 0.51 -2.55 -0.03 0.00 -0.04 0.00 0.00 33.50 31.39 3i21 n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i21 s ALA 98 N 8.70 2.85 0.09 0.55 0.00 -1.13 -4.86 121.76 127.95 3i21 s ALA 98 Ca 1.11 0.57 -0.31 0.00 0.00 0.00 0.00 51.96 53.33 3i21 s ALA 98 Cb -0.76 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 19.05 3i21 s ALA 98 CO 0.44 -0.41 1.28 0.45 0.00 0.00 0.00 175.76 177.52 3i21 s SER 99 N -2.14 6.97 -0.14 0.00 0.15 -1.26 -4.62 113.70 112.65 3i21 s SER 99 Ca 0.67 2.16 -0.39 0.00 0.70 0.00 0.00 55.95 59.08 3i21 s SER 99 Cb -0.16 -2.58 -0.19 0.00 -1.71 0.00 0.00 66.02 61.38 3i21 s SER 99 CO 0.23 -0.55 1.15 -0.62 1.20 0.00 0.00 173.24 174.65 3i21 n GLU 100 N 3.90 0.00 0.00 5.44 4.71 -1.26 -2.04 120.64 131.38 3i21 n GLU 100 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 3i21 n GLU 100 Cb 0.45 -1.40 0.00 0.00 -1.01 0.00 0.00 31.44 29.48 3i21 n GLU 100 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3i21 n GLY 101 N 2.11 0.88 0.00 0.62 0.00 -1.26 -4.90 105.19 102.64 3i21 n GLY 101 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3i21 n GLY 101 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i21 n THR 102 N -1.37 0.00 -0.22 2.61 -2.24 -0.87 -5.14 114.28 107.04 3i21 n THR 102 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i21 n THR 102 Cb 0.00 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 3i21 n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i21 n GLY 103 N 0.00 -3.15 1.85 3.38 0.00 -1.24 -4.71 105.19 101.30 3i21 n GLY 103 Ca 0.00 -1.33 -0.06 0.00 0.00 0.00 0.00 46.02 44.64 3i21 n GLY 103 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3i21 n ILE 104 N -2.78 -1.33 -3.76 -0.61 0.13 -0.80 -4.64 119.36 105.56 3i21 n ILE 104 Ca 0.00 -0.08 -0.30 0.00 -1.10 0.00 0.00 62.75 61.27 3i21 n ILE 104 Cb 0.00 -2.78 -0.15 0.00 -0.84 0.00 0.00 39.64 35.86 3i21 n ILE 104 CO 0.00 0.00 0.00 -0.63 2.80 0.00 0.00 176.55 178.72 3i21 s ILE 105 N -3.10 0.94 0.00 9.51 1.01 -1.11 -4.95 121.20 123.50 3i21 s ILE 105 Ca 0.07 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 59.42 3i21 s ILE 105 Cb -0.03 -1.63 0.00 0.00 0.01 0.00 0.00 42.46 40.81 3i21 s ILE 105 CO 0.20 -0.55 0.00 0.00 0.00 0.00 0.00 174.94 174.59 3i21 n ALA 106 N 4.84 0.00 -3.00 9.38 0.00 -1.26 -3.08 120.51 127.39 3i21 n ALA 106 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3i21 n ALA 106 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3i21 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i21 n GLY 107 N 1.16 4.19 0.00 0.00 0.00 -1.26 -4.96 105.19 104.32 3i21 n GLY 107 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3i21 n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i21 n GLY 108 N 0.00 0.00 0.15 -0.02 0.00 -1.26 -2.32 105.19 101.74 3i21 n GLY 108 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3i21 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i21 h ALA 109 N -0.02 0.15 -0.94 4.61 0.00 -1.93 -3.27 119.26 117.87 3i21 h ALA 109 Ca 0.00 -0.50 0.39 0.00 0.00 0.00 0.00 54.91 54.79 3i21 h ALA 109 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.62 3i21 h ALA 109 CO 0.00 0.32 0.48 -1.33 0.00 0.00 0.00 179.25 178.72 3i21 n MET 110 N -4.28 -0.06 0.00 0.00 2.00 -1.23 -0.79 117.12 112.75 3i21 n MET 110 Ca -0.09 1.31 0.00 0.00 0.00 0.00 0.00 57.70 58.92 3i21 n MET 110 Cb 0.59 -2.33 0.00 0.00 0.00 0.00 0.00 33.22 31.48 3i21 n MET 110 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 3i21 n ARG 111 N -5.14 0.00 0.00 0.03 3.00 -0.98 -0.72 116.66 112.85 3i21 n ARG 111 Ca 0.35 0.45 0.00 0.00 -0.00 0.00 0.00 57.85 58.65 3i21 n ARG 111 Cb 1.18 -1.25 0.00 0.00 0.00 0.00 0.00 32.46 32.40 3i21 n ARG 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i21 n ALA 112 N -1.55 0.78 -0.01 5.13 0.00 0.03 -0.71 120.51 124.17 3i21 n ALA 112 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 3i21 n ALA 112 Cb 0.00 -0.70 -0.14 0.00 0.00 0.00 0.00 19.45 18.61 3i21 n ALA 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i21 n VAL 113 N -1.25 1.72 -0.08 0.00 0.31 -0.61 -4.52 118.33 113.91 3i21 n VAL 113 Ca 0.00 -0.68 -0.13 0.00 -0.01 0.00 0.00 64.34 63.52 3i21 n VAL 113 Cb 0.12 -1.57 -0.09 0.00 -0.91 0.00 0.00 33.84 31.38 3i21 n VAL 113 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i21 h LEU 114 N 0.05 0.00 -4.71 7.52 3.38 0.13 -3.35 115.31 118.34 3i21 h LEU 114 Ca -0.42 -0.59 -0.12 0.00 0.09 0.00 0.00 57.88 56.84 3i21 h LEU 114 Cb 2.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.75 3i21 h LEU 114 CO 0.07 1.06 0.45 -1.84 0.09 0.00 0.00 178.44 178.27 3i21 n GLU 115 N -4.58 1.01 0.00 1.13 0.28 -1.06 -2.70 120.64 114.71 3i21 n GLU 115 Ca -0.15 -0.57 0.00 0.00 -0.16 0.00 0.00 57.16 56.27 3i21 n GLU 115 Cb 0.45 -1.82 0.00 0.00 1.43 0.00 0.00 31.44 31.50 3i21 n GLU 115 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 3i21 n VAL 116 N 3.03 0.00 1.12 3.84 0.24 -1.25 -4.88 118.33 120.43 3i21 n VAL 116 Ca 0.22 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.63 3i21 n VAL 116 Cb 0.36 -0.01 0.36 0.00 -1.47 0.00 0.00 33.84 33.08 3i21 n VAL 116 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i21 n ALA 117 N -1.54 2.51 0.00 2.33 0.00 -1.19 -0.67 120.51 121.95 3i21 n ALA 117 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.85 3i21 n ALA 117 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3i21 n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i21 n GLY 118 N 1.21 1.25 2.93 0.00 0.00 -1.11 0.26 105.19 109.74 3i21 n GLY 118 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3i21 n GLY 118 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i21 s VAL 119 N -2.00 1.49 -0.53 1.61 -7.23 -1.10 -4.88 120.40 107.75 3i21 s VAL 119 Ca 0.00 -1.19 0.16 0.00 -1.81 0.00 0.00 61.98 59.13 3i21 s VAL 119 Cb 0.00 -1.76 0.80 0.00 0.56 0.00 0.00 36.38 35.97 3i21 s VAL 119 CO 0.00 -0.10 1.72 1.41 -0.31 0.00 0.00 175.10 177.82 3i21 n HIS 120 N 4.69 1.91 -3.81 2.82 -0.00 -1.26 -3.81 115.22 115.75 3i21 n HIS 120 Ca -0.12 -0.69 -0.30 0.00 -0.00 0.00 0.00 57.72 56.61 3i21 n HIS 120 Cb 0.44 -0.43 -0.14 0.00 -0.00 0.00 0.00 29.99 29.87 3i21 n HIS 120 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3i21 s ASN 121 N -0.83 3.95 -0.03 0.41 4.22 -1.26 -1.91 114.94 119.49 3i21 s ASN 121 Ca 0.54 -2.65 -0.10 0.00 -2.14 0.00 0.00 52.86 48.51 3i21 s ASN 121 Cb 0.39 -1.25 0.01 0.00 1.28 0.00 0.00 41.25 41.69 3i21 s ASN 121 CO 0.19 -0.27 0.22 -0.69 -2.04 0.00 0.00 177.10 174.51 3i21 s VAL 122 N 0.27 0.05 -0.41 3.54 1.01 -1.26 -2.83 120.40 120.77 3i21 s VAL 122 Ca 0.16 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.73 3i21 s VAL 122 Cb -0.24 -0.47 0.17 0.00 0.00 0.00 0.00 36.38 35.83 3i21 s VAL 122 CO -0.02 -0.25 0.44 -0.76 0.00 0.00 0.00 175.10 174.51 3i21 s LEU 123 N -1.00 -0.00 0.16 3.92 1.43 -0.70 -2.76 118.68 119.73 3i21 s LEU 123 Ca -0.11 -1.95 0.00 0.00 -1.03 0.00 0.00 54.13 51.04 3i21 s LEU 123 Cb -0.05 0.61 -0.04 0.00 0.03 0.00 0.00 46.19 46.73 3i21 s LEU 123 CO 0.02 -0.20 0.04 0.00 0.23 0.00 0.00 176.35 176.44 3i21 s ALA 124 N 1.00 1.16 0.17 4.21 0.00 -1.18 -2.76 121.76 124.36 3i21 s ALA 124 Ca 0.23 -1.56 -0.16 0.00 0.00 0.00 0.00 51.96 50.47 3i21 s ALA 124 Cb -0.08 0.74 0.02 0.00 0.00 0.00 0.00 23.12 23.81 3i21 s ALA 124 CO -0.07 -0.41 0.45 0.21 0.00 0.00 0.00 175.76 175.94 3i21 s LYS 125 N -3.99 1.26 -0.04 0.00 2.20 -0.05 -4.63 119.74 114.49 3i21 s LYS 125 Ca 0.25 -0.87 0.02 0.00 -0.36 0.00 0.00 55.97 55.01 3i21 s LYS 125 Cb 0.07 0.48 0.01 0.00 -1.51 0.00 0.00 37.83 36.89 3i21 s LYS 125 CO 0.04 -0.51 -0.06 0.00 -0.36 0.00 0.00 175.35 174.45 3i21 s ALA 126 N -3.87 0.74 0.46 3.13 0.00 -1.26 -0.23 121.76 120.73 3i21 s ALA 126 Ca 0.09 -0.17 0.07 0.00 0.00 0.00 0.00 51.96 51.95 3i21 s ALA 126 Cb 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.76 3i21 s ALA 126 CO -0.05 0.06 0.41 0.71 0.00 0.00 0.00 175.76 176.89 3i21 s TYR 127 N 0.59 2.30 0.00 0.00 1.51 -0.77 -4.99 117.35 115.99 3i21 s TYR 127 Ca -0.09 -0.61 0.00 0.00 -1.01 0.00 0.00 57.07 55.36 3i21 s TYR 127 Cb -0.12 -2.10 0.00 0.00 -0.11 0.00 0.00 41.96 39.63 3i21 s TYR 127 CO 0.01 -0.29 0.00 0.41 -1.11 0.00 0.00 175.55 174.56 3i21 n GLY 128 N -1.65 -1.76 3.77 0.71 0.00 -1.26 -1.64 105.19 103.35 3i21 n GLY 128 Ca 0.03 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 3i21 n GLY 128 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i21 s SER 129 N -4.00 6.91 -0.23 1.61 1.04 -1.26 -4.88 113.70 112.88 3i21 s SER 129 Ca 0.00 2.57 0.02 0.00 0.48 0.00 0.00 55.95 59.02 3i21 s SER 129 Cb 0.00 -2.64 0.34 0.00 0.10 0.00 0.00 66.02 63.82 3i21 s SER 129 CO 0.00 -0.43 1.48 0.35 0.98 0.00 0.00 173.24 175.62 3i21 n THR 130 N 0.96 2.15 -1.83 2.02 -2.24 -1.26 -3.93 114.28 110.15 3i21 n THR 130 Ca -0.00 -1.00 -0.43 0.00 -2.27 0.00 0.00 64.05 60.35 3i21 n THR 130 Cb 0.43 -0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 67.89 3i21 n THR 130 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3i21 s ASN 131 N -0.18 6.14 0.04 3.42 3.04 -1.26 -4.84 114.94 121.30 3i21 s ASN 131 Ca 0.29 2.03 -0.08 0.00 0.04 0.00 0.00 52.86 55.15 3i21 s ASN 131 Cb 0.25 -2.53 -0.02 0.00 -1.54 0.00 0.00 41.25 37.41 3i21 s ASN 131 CO 0.06 -1.39 1.07 -2.65 -3.04 0.00 0.00 177.10 171.14 3i21 n PRO 132 N 7.93 -0.11 0.10 0.43 -0.02 -1.26 0.50 135.00 142.57 3i21 n PRO 132 Ca 0.22 1.06 0.07 0.00 -2.02 0.00 0.00 63.50 62.84 3i21 n PRO 132 Cb 0.44 -1.58 0.38 0.00 -0.02 0.00 0.00 33.50 32.72 3i21 n PRO 132 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3i21 n ILE 133 N -3.53 1.34 -0.10 4.25 -5.35 -1.26 -1.78 119.36 112.92 3i21 n ILE 133 Ca 0.01 0.61 -0.22 0.00 -0.27 0.00 0.00 62.75 62.87 3i21 n ILE 133 Cb 0.07 -1.60 -0.12 0.00 -1.74 0.00 0.00 39.64 36.25 3i21 n ILE 133 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3i21 n ASN 134 N -1.98 1.99 0.09 7.28 2.85 0.17 -4.17 115.26 121.49 3i21 n ASN 134 Ca -0.01 0.12 -0.13 0.00 -0.11 0.00 0.00 54.58 54.46 3i21 n ASN 134 Cb 0.04 -0.68 -0.06 0.00 1.24 0.00 0.00 39.78 40.32 3i21 n ASN 134 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 3i21 h VAL 135 N -0.37 0.25 0.11 3.44 2.07 0.87 -2.57 116.25 120.05 3i21 h VAL 135 Ca -0.56 0.00 0.01 0.00 0.82 0.00 0.00 66.70 66.97 3i21 h VAL 135 Cb 1.78 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 3i21 h VAL 135 CO -0.16 0.00 -0.41 1.62 0.02 0.00 0.00 177.57 178.64 3i21 h VAL 136 N -0.55 0.00 0.00 2.57 3.04 -1.74 -1.24 116.25 118.32 3i21 h VAL 136 Ca 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.73 3i21 h VAL 136 Cb 0.61 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.89 3i21 h VAL 136 CO -0.24 0.00 0.00 -2.11 -1.01 0.00 0.00 177.57 174.21 3i21 n ARG 137 N -4.76 0.02 -0.06 4.17 1.85 -1.19 -0.59 116.66 116.09 3i21 n ARG 137 Ca -0.07 0.38 -0.04 0.00 -1.00 0.00 0.00 57.85 57.13 3i21 n ARG 137 Cb 0.32 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.20 3i21 n ARG 137 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i21 h ALA 138 N 2.16 0.01 0.14 2.89 0.00 -0.85 -3.13 119.26 120.47 3i21 h ALA 138 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3i21 h ALA 138 Cb 0.06 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3i21 h ALA 138 CO 0.00 0.05 -0.33 1.79 0.00 0.00 0.00 179.25 180.76 3i21 h THR 139 N -1.00 0.30 -0.71 0.00 1.35 0.09 -0.25 112.91 112.69 3i21 h THR 139 Ca -0.01 0.00 0.15 0.00 -0.55 0.00 0.00 66.41 66.00 3i21 h THR 139 Cb 0.28 0.30 -0.11 0.00 -1.73 0.00 0.00 68.15 66.89 3i21 h THR 139 CO -0.00 0.00 0.14 0.40 -0.25 0.00 0.00 175.52 175.81 3i21 h ILE 140 N -0.57 0.52 0.00 6.82 2.04 -1.04 0.28 117.51 125.55 3i21 h ILE 140 Ca 0.03 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 3i21 h ILE 140 Cb 0.59 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3i21 h ILE 140 CO -0.19 0.04 -0.20 0.44 0.00 0.00 0.00 178.15 178.25 3i21 h ASP 141 N 0.24 0.00 0.66 1.72 3.32 -1.37 0.08 116.42 121.07 3i21 h ASP 141 Ca 0.39 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.32 3i21 h ASP 141 Cb 0.66 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 3i21 h ASP 141 CO -0.51 0.20 -0.59 1.23 -1.72 0.00 0.00 179.24 177.85 3i21 h GLY 142 N 1.17 0.00 -5.70 2.75 0.00 0.12 -3.08 103.07 98.32 3i21 h GLY 142 Ca -0.00 0.00 -0.74 0.00 0.00 0.00 0.00 47.33 46.59 3i21 h GLY 142 CO 0.03 0.00 1.68 1.04 0.00 0.00 0.00 176.54 179.29 3i21 n LEU 143 N -3.76 7.64 -0.02 3.11 4.77 0.24 -3.64 117.00 125.34 3i21 n LEU 143 Ca -0.01 -4.98 0.00 0.00 -0.03 0.00 0.00 56.01 50.99 3i21 n LEU 143 Cb 0.61 -1.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 3i21 n LEU 143 CO 0.41 2.01 0.01 1.21 -1.33 0.00 0.00 177.39 179.70 3i21 n GLU 144 N 0.91 0.00 0.00 3.23 0.00 -1.16 -4.76 120.64 118.85 3i21 n GLU 144 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.72 3i21 n GLU 144 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.72 3i21 n GLU 144 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3i21 n ASN 145 N 0.00 1.40 -4.74 4.31 3.02 -1.24 -5.06 115.26 112.94 3i21 n ASN 145 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 3i21 n ASN 145 Cb 0.37 0.25 -0.02 0.00 -0.61 0.00 0.00 39.78 39.77 3i21 n ASN 145 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i21 s MET 146 N -0.72 4.14 -0.02 3.52 0.23 -1.25 -4.94 119.30 120.26 3i21 s MET 146 Ca 0.00 2.55 -0.26 0.00 -1.03 0.00 0.00 55.69 56.94 3i21 s MET 146 Cb 0.00 -3.05 -0.04 0.00 -1.53 0.00 0.00 34.83 30.22 3i21 s MET 146 CO 0.00 -0.63 0.83 -0.80 -2.03 0.00 0.00 175.02 172.38 3i21 s ASN 147 N 0.64 7.18 0.30 -1.18 0.01 -1.26 -4.80 114.94 115.84 3i21 s ASN 147 Ca 0.65 1.42 -0.26 0.00 -0.71 0.00 0.00 52.86 53.96 3i21 s ASN 147 Cb -0.47 -2.49 -0.10 0.00 0.41 0.00 0.00 41.25 38.60 3i21 s ASN 147 CO 0.44 -0.16 0.93 -0.55 -1.51 0.00 0.00 177.10 176.24 3i21 s SER 148 N 0.77 7.37 0.41 -1.22 0.15 -1.26 -4.82 113.70 115.09 3i21 s SER 148 Ca 0.44 1.82 0.12 0.00 0.70 0.00 0.00 55.95 59.03 3i21 s SER 148 Cb -0.19 -2.57 0.86 0.00 -1.71 0.00 0.00 66.02 62.40 3i21 s SER 148 CO 0.23 -0.02 1.93 -0.65 1.20 0.00 0.00 173.24 175.93 3i21 h PRO 149 N 3.35 0.10 0.00 5.44 0.11 -1.97 1.31 132.00 140.33 3i21 h PRO 149 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3i21 h PRO 149 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3i21 h PRO 149 CO 0.65 0.30 0.00 0.39 -0.21 0.00 0.00 178.00 179.13 3i21 n GLU 150 N -4.26 0.04 -0.00 1.05 -0.58 -1.26 -2.61 120.64 113.02 3i21 n GLU 150 Ca -0.02 0.25 0.01 0.00 -0.42 0.00 0.00 57.16 56.98 3i21 n GLU 150 Cb 0.28 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.64 3i21 n GLU 150 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 3i21 n MET 151 N -1.45 4.34 0.00 3.49 1.56 0.93 -4.45 117.12 121.54 3i21 n MET 151 Ca 0.04 -0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.46 3i21 n MET 151 Cb 0.14 -0.73 0.00 0.00 2.15 0.00 0.00 33.22 34.78 3i21 n MET 151 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 3i21 n VAL 152 N -1.21 0.00 1.03 1.12 0.31 0.41 -3.26 118.33 116.73 3i21 n VAL 152 Ca 0.00 0.76 0.00 0.00 -0.01 0.00 0.00 64.34 65.09 3i21 n VAL 152 Cb 0.03 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.33 3i21 n VAL 152 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i21 n ALA 153 N -1.69 2.22 0.68 3.52 0.00 -1.24 -0.11 120.51 123.88 3i21 n ALA 153 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3i21 n ALA 153 Cb 0.00 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 18.51 3i21 n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i21 n ALA 154 N -0.08 3.49 -1.44 0.00 0.00 -1.23 -4.17 120.51 117.09 3i21 n ALA 154 Ca 0.00 -0.40 -0.25 0.00 0.00 0.00 0.00 53.44 52.79 3i21 n ALA 154 Cb 0.14 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.52 3i21 n ALA 154 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i21 n LYS 155 N -1.86 2.44 -4.46 0.00 5.02 0.84 -4.93 118.16 115.21 3i21 n LYS 155 Ca 0.03 -2.18 -0.31 0.00 -2.02 0.00 0.00 58.31 53.83 3i21 n LYS 155 Cb 0.41 -2.15 -0.11 0.00 -0.02 0.00 0.00 35.03 33.16 3i21 n LYS 155 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3i21 s ARG 156 N -1.25 2.17 0.34 1.97 1.81 -1.26 -5.08 118.95 117.65 3i21 s ARG 156 Ca 0.60 -0.95 0.06 0.00 -1.72 0.00 0.00 55.73 53.72 3i21 s ARG 156 Cb 0.36 -2.29 -0.02 0.00 -0.45 0.00 0.00 34.95 32.56 3i21 s ARG 156 CO -0.18 0.54 0.33 0.41 -0.68 0.00 0.00 175.30 175.72 3i21 n GLY 157 N 1.25 2.71 0.00 -3.53 0.00 -1.26 -5.17 105.19 99.19 3i21 n GLY 157 Ca -0.15 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.03 3i21 n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60