#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9d s GLN 3 N 0.00 1.01 0.11 5.31 -2.07 -1.26 -4.59 119.66 118.18 3i9d s GLN 3 Ca 0.00 -0.18 0.10 0.00 -1.82 0.00 0.00 55.36 53.46 3i9d s GLN 3 Cb 0.00 0.46 -0.04 0.00 -1.09 0.00 0.00 33.01 32.34 3i9d s GLN 3 CO 0.00 -0.35 -0.23 0.71 -1.32 0.00 0.00 175.29 174.10 3i9d s TYR 4 N -2.22 2.42 0.15 9.60 2.02 -0.91 -4.97 117.35 123.44 3i9d s TYR 4 Ca -0.06 -0.33 0.08 0.00 -0.37 0.00 0.00 57.07 56.39 3i9d s TYR 4 Cb -0.01 -1.31 -0.04 0.00 -0.40 0.00 0.00 41.96 40.20 3i9d s TYR 4 CO 0.00 0.34 -0.07 -0.47 -1.57 0.00 0.00 175.55 173.79 3i9d s TYR 5 N -1.07 2.74 -0.06 2.71 6.04 -1.24 -2.12 117.35 124.34 3i9d s TYR 5 Ca 0.15 -0.17 -0.03 0.00 0.04 0.00 0.00 57.07 57.07 3i9d s TYR 5 Cb -0.10 -1.37 0.04 0.00 -1.04 0.00 0.00 41.96 39.49 3i9d s TYR 5 CO 0.07 0.49 0.12 0.20 -1.54 0.00 0.00 175.55 174.89 3i9d s GLY 6 N -2.66 0.08 -0.61 8.97 0.00 -0.70 -3.40 107.32 109.01 3i9d s GLY 6 Ca 0.25 0.46 -0.05 0.00 0.00 0.00 0.00 44.72 45.37 3i9d s GLY 6 CO 0.16 1.42 0.45 -1.59 0.00 0.00 0.00 173.10 173.54 3i9d s THR 7 N 2.00 4.02 0.09 0.90 2.01 -1.26 -2.06 115.64 121.33 3i9d s THR 7 Ca 0.01 -2.65 0.05 0.00 0.31 0.00 0.00 61.69 59.41 3i9d s THR 7 Cb -0.12 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 3i9d s THR 7 CO -0.05 -0.87 -0.14 -0.83 -0.69 0.00 0.00 174.62 172.05 3i9d s GLY 8 N 1.27 0.95 0.12 4.40 0.00 -1.26 -4.75 107.32 108.05 3i9d s GLY 8 Ca 0.15 -1.14 -0.26 0.00 0.00 0.00 0.00 44.72 43.47 3i9d s GLY 8 CO -0.04 -1.19 0.90 1.09 0.00 0.00 0.00 173.10 173.86 3i9d s ARG 9 N -2.25 1.15 -0.29 2.90 3.03 -1.25 -3.30 118.95 118.94 3i9d s ARG 9 Ca 0.03 -0.58 -0.19 0.00 2.03 0.00 0.00 55.73 57.03 3i9d s ARG 9 Cb -0.07 0.43 0.13 0.00 -1.03 0.00 0.00 34.95 34.41 3i9d s ARG 9 CO 0.02 -0.52 0.97 0.50 -1.13 0.00 0.00 175.30 175.15 3i9d s ARG 10 N -3.33 0.44 -0.56 3.89 3.52 -1.21 -4.68 118.95 117.02 3i9d s ARG 10 Ca 0.09 0.68 -0.11 0.00 -0.13 0.00 0.00 55.73 56.26 3i9d s ARG 10 Cb -0.02 0.13 0.01 0.00 -1.56 0.00 0.00 34.95 33.52 3i9d s ARG 10 CO -0.01 -0.08 0.64 1.17 -0.81 0.00 0.00 175.30 176.21 3i9d n LYS 11 N 3.31 -1.95 0.00 5.12 4.81 -1.26 -4.30 118.16 123.90 3i9d n LYS 11 Ca -0.17 1.80 0.00 0.00 -0.87 0.00 0.00 58.31 59.07 3i9d n LYS 11 Cb 0.57 -5.30 0.00 0.00 0.02 0.00 0.00 35.03 30.32 3i9d n LYS 11 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3i9d n GLU 12 N -0.91 0.00 -1.07 1.64 -0.58 -1.26 -4.43 120.64 114.03 3i9d n GLU 12 Ca 0.04 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.45 3i9d n GLU 12 Cb 0.50 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.38 3i9d n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i9d n ALA 13 N 3.93 -3.02 -3.11 0.62 0.00 -1.25 -4.57 120.51 113.09 3i9d n ALA 13 Ca 0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 3i9d n ALA 13 Cb 0.00 -1.20 -0.10 0.00 0.00 0.00 0.00 19.45 18.15 3i9d n ALA 13 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i9d s VAL 14 N -1.73 0.07 0.05 0.00 1.01 0.94 -3.35 120.40 117.39 3i9d s VAL 14 Ca 0.48 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.88 3i9d s VAL 14 Cb -0.41 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 3i9d s VAL 14 CO 0.58 -0.32 -0.04 0.00 0.00 0.00 0.00 175.10 175.32 3i9d s ALA 15 N -1.21 0.49 -0.08 5.51 0.00 -1.21 -0.79 121.76 124.46 3i9d s ALA 15 Ca -0.13 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 50.80 3i9d s ALA 15 Cb -0.07 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 3i9d s ALA 15 CO 0.02 -0.23 0.09 1.03 0.00 0.00 0.00 175.76 176.67 3i9d s ARG 16 N -2.85 3.25 -0.30 0.00 0.52 -0.68 -4.03 118.95 114.85 3i9d s ARG 16 Ca -0.01 -0.28 -0.03 0.00 -0.52 0.00 0.00 55.73 54.89 3i9d s ARG 16 Cb -0.00 -3.02 0.04 0.00 0.52 0.00 0.00 34.95 32.49 3i9d s ARG 16 CO -0.05 0.73 0.02 0.08 0.02 0.00 0.00 175.30 176.10 3i9d s VAL 17 N -1.03 3.21 -0.42 3.52 1.01 -0.88 -3.15 120.40 122.66 3i9d s VAL 17 Ca 0.16 -1.23 0.02 0.00 0.00 0.00 0.00 61.98 60.93 3i9d s VAL 17 Cb -0.12 -2.79 0.11 0.00 0.00 0.00 0.00 36.38 33.58 3i9d s VAL 17 CO 0.06 -0.06 0.16 -0.36 0.00 0.00 0.00 175.10 174.90 3i9d s PHE 18 N 1.31 3.59 -0.01 5.22 2.99 -0.87 -1.72 117.98 128.49 3i9d s PHE 18 Ca -0.03 -2.86 -0.10 0.00 0.00 0.00 0.00 56.93 53.93 3i9d s PHE 18 Cb -0.19 -3.01 -0.05 0.00 0.00 0.00 0.00 43.02 39.77 3i9d s PHE 18 CO -0.00 -0.91 0.31 -0.51 -0.00 0.00 0.00 175.22 174.11 3i9d s LEU 19 N 0.66 4.41 -0.24 -0.37 1.43 -0.90 -0.15 118.68 123.52 3i9d s LEU 19 Ca 0.12 0.73 -0.09 0.00 -1.03 0.00 0.00 54.13 53.86 3i9d s LEU 19 Cb -0.21 -2.55 0.11 0.00 0.03 0.00 0.00 46.19 43.56 3i9d s LEU 19 CO -0.05 0.30 0.52 -0.13 0.23 0.00 0.00 176.35 177.23 3i9d s ARG 20 N -1.36 0.45 -0.11 1.70 0.52 -1.13 -2.13 118.95 116.89 3i9d s ARG 20 Ca 0.24 1.21 -0.25 0.00 -0.52 0.00 0.00 55.73 56.41 3i9d s ARG 20 Cb -0.14 0.54 -0.11 0.00 0.52 0.00 0.00 34.95 35.75 3i9d s ARG 20 CO 0.13 -0.22 0.73 -2.30 0.02 0.00 0.00 175.30 173.66 3i9d n PRO 21 N 5.33 0.00 -3.21 3.54 -0.02 -1.26 -1.78 135.00 137.61 3i9d n PRO 21 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 3i9d n PRO 21 Cb 0.50 -0.86 0.00 0.00 -0.02 0.00 0.00 33.50 33.12 3i9d n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i9d n GLY 22 N 1.42 -1.47 0.00 -1.23 0.00 -1.04 -4.67 105.19 98.20 3i9d n GLY 22 Ca 0.14 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3i9d n GLY 22 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i9d n ASN 23 N 0.62 0.00 0.00 1.61 5.03 -1.26 -3.51 115.26 117.75 3i9d n ASN 23 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3i9d n ASN 23 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3i9d n ASN 23 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i9d n GLY 24 N -0.04 0.03 3.55 7.41 0.00 -1.23 -4.40 105.19 110.51 3i9d n GLY 24 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3i9d n GLY 24 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3i9d n LYS 25 N 0.00 0.10 -4.04 1.61 2.85 -1.26 -4.74 118.16 112.67 3i9d n LYS 25 Ca 0.00 0.09 -0.12 0.00 -1.05 0.00 0.00 58.31 57.23 3i9d n LYS 25 Cb 0.00 -2.09 -0.12 0.00 -0.65 0.00 0.00 35.03 32.17 3i9d n LYS 25 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3i9d s VAL 26 N -2.13 0.38 -0.28 0.58 1.01 -1.26 -3.50 120.40 115.20 3i9d s VAL 26 Ca 0.67 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 3i9d s VAL 26 Cb -0.29 -0.45 0.04 0.00 0.00 0.00 0.00 36.38 35.69 3i9d s VAL 26 CO 0.57 -0.33 -0.03 -0.89 0.00 0.00 0.00 175.10 174.43 3i9d s THR 27 N -1.16 2.91 -0.26 3.92 2.01 -0.01 -2.21 115.64 120.84 3i9d s THR 27 Ca -0.09 -1.29 -0.07 0.00 0.31 0.00 0.00 61.69 60.55 3i9d s THR 27 Cb -0.08 -2.62 -0.01 0.00 0.01 0.00 0.00 72.50 69.80 3i9d s THR 27 CO -0.00 -0.01 0.06 -0.69 -0.69 0.00 0.00 174.62 173.29 3i9d s VAL 28 N 1.27 4.09 -0.57 3.82 1.01 -1.01 0.10 120.40 129.11 3i9d s VAL 28 Ca -0.04 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 3i9d s VAL 28 Cb -0.19 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.22 3i9d s VAL 28 CO -0.02 0.26 0.41 0.59 0.00 0.00 0.00 175.10 176.33 3i9d n ASN 29 N 4.89 -3.19 0.00 3.32 4.13 0.63 -2.76 115.26 122.28 3i9d n ASN 29 Ca -0.16 -0.68 0.00 0.00 1.68 0.00 0.00 54.58 55.43 3i9d n ASN 29 Cb 0.50 -1.07 0.00 0.00 -1.54 0.00 0.00 39.78 37.67 3i9d n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i9d n GLY 30 N -1.29 1.69 2.84 7.41 0.00 -1.26 -4.91 105.19 109.66 3i9d n GLY 30 Ca -0.22 0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3i9d n GLY 30 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i9d n GLN 31 N 0.00 0.00 -2.32 1.61 6.02 -1.11 -4.86 117.38 116.72 3i9d n GLN 31 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 3i9d n GLN 31 Cb 0.00 -0.92 -0.03 0.00 1.02 0.00 0.00 30.24 30.31 3i9d n GLN 31 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3i9d s ASP 32 N -0.92 7.03 0.26 1.08 -1.08 -1.26 -2.42 116.67 119.37 3i9d s ASP 32 Ca 0.43 2.36 -0.06 0.00 -0.52 0.00 0.00 52.55 54.76 3i9d s ASP 32 Cb -0.28 -2.62 0.49 0.00 -1.46 0.00 0.00 42.92 39.04 3i9d s ASP 32 CO 0.70 -0.38 1.61 0.15 0.52 0.00 0.00 175.17 177.76 3i9d h PHE 33 N 4.65 -0.15 0.00 -5.34 3.57 -1.76 0.84 116.94 118.76 3i9d h PHE 33 Ca -0.46 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.11 3i9d h PHE 33 Cb 1.22 0.20 0.00 0.00 2.79 0.00 0.00 35.95 40.15 3i9d h PHE 33 CO 0.60 -0.31 0.00 0.09 -2.23 0.00 0.00 178.31 176.46 3i9d n ASN 34 N -5.42 0.00 -0.02 0.41 4.13 -1.26 -2.76 115.26 110.33 3i9d n ASN 34 Ca 0.15 0.04 0.03 0.00 1.68 0.00 0.00 54.58 56.49 3i9d n ASN 34 Cb 0.52 -0.33 -0.09 0.00 -1.54 0.00 0.00 39.78 38.34 3i9d n ASN 34 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3i9d n GLU 35 N -1.33 0.79 0.05 3.52 2.13 0.24 -3.79 120.64 122.26 3i9d n GLU 35 Ca 0.11 -0.09 0.13 0.00 0.66 0.00 0.00 57.16 57.97 3i9d n GLU 35 Cb 0.22 -1.29 0.39 0.00 0.27 0.00 0.00 31.44 31.03 3i9d n GLU 35 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 3i9d n TYR 36 N -2.05 0.48 -1.48 4.31 9.36 0.14 -3.58 117.16 124.34 3i9d n TYR 36 Ca -0.06 0.14 0.07 0.00 3.32 0.00 0.00 57.90 61.37 3i9d n TYR 36 Cb 0.45 -0.67 0.17 0.00 -0.63 0.00 0.00 39.34 38.66 3i9d n TYR 36 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 3i9d n PHE 37 N -1.92 0.00 -1.97 2.98 0.99 -1.11 -5.03 117.46 111.39 3i9d n PHE 37 Ca 0.05 -1.20 -0.43 0.00 -0.00 0.00 0.00 57.45 55.87 3i9d n PHE 37 Cb 0.40 -0.20 -0.03 0.00 -1.00 0.00 0.00 39.48 38.65 3i9d n PHE 37 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 3i9d s GLN 38 N -2.79 3.57 0.00 -1.08 0.74 -1.23 -2.81 119.66 116.06 3i9d s GLN 38 Ca 0.34 1.69 0.00 0.00 0.05 0.00 0.00 55.36 57.45 3i9d s GLN 38 Cb 0.32 -4.15 0.00 0.00 1.10 0.00 0.00 33.01 30.29 3i9d s GLN 38 CO -0.04 -1.58 0.00 0.41 -0.55 0.00 0.00 175.29 173.54 3i9d n GLY 39 N 5.07 1.47 3.37 2.59 0.00 -1.26 -5.08 105.19 111.35 3i9d n GLY 39 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 3i9d n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i9d s LEU 40 N 0.00 5.41 0.00 0.99 1.43 -1.12 -4.93 118.68 120.45 3i9d s LEU 40 Ca 0.00 -1.30 0.00 0.00 -1.03 0.00 0.00 54.13 51.80 3i9d s LEU 40 Cb 0.00 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 44.09 3i9d s LEU 40 CO 0.00 -0.58 1.22 0.52 0.23 0.00 0.00 176.35 177.73 3i9d n VAL 41 N 5.12 1.22 0.00 -1.59 0.31 -1.26 -1.92 118.33 120.21 3i9d n VAL 41 Ca -0.12 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 3i9d n VAL 41 Cb 0.44 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 3i9d n VAL 41 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i9d n ARG 42 N 1.61 4.11 -0.03 5.55 0.63 -1.26 -4.91 116.66 122.35 3i9d n ARG 42 Ca 0.00 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.83 3i9d n ARG 42 Cb 0.32 -0.56 -0.04 0.00 0.45 0.00 0.00 32.46 32.62 3i9d n ARG 42 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i9d h ALA 43 N 0.00 -0.40 0.00 5.13 0.00 -1.73 -0.57 119.26 121.69 3i9d h ALA 43 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3i9d h ALA 43 Cb 0.03 0.71 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3i9d h ALA 43 CO 0.00 -0.83 0.05 1.33 0.00 0.00 0.00 179.25 179.80 3i9d n VAL 44 N -5.42 0.36 0.90 0.00 0.24 -1.26 -1.08 118.33 112.07 3i9d n VAL 44 Ca -0.02 0.14 0.06 0.00 -2.04 0.00 0.00 64.34 62.47 3i9d n VAL 44 Cb 0.34 -1.14 0.16 0.00 -1.47 0.00 0.00 33.84 31.73 3i9d n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i9d n ALA 45 N -0.96 2.45 0.44 2.33 0.00 -0.22 -3.62 120.51 120.92 3i9d n ALA 45 Ca 0.00 -0.61 0.11 0.00 0.00 0.00 0.00 53.44 52.94 3i9d n ALA 45 Cb 0.05 -0.97 -0.14 0.00 0.00 0.00 0.00 19.45 18.38 3i9d n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9d n ALA 46 N 0.51 3.66 -1.01 0.00 0.00 -0.24 -4.21 120.51 119.22 3i9d n ALA 46 Ca 0.12 -0.55 -0.22 0.00 0.00 0.00 0.00 53.44 52.79 3i9d n ALA 46 Cb 0.29 -0.76 0.16 0.00 0.00 0.00 0.00 19.45 19.14 3i9d n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i9d n LEU 47 N -1.93 6.41 -0.07 0.00 7.99 -1.24 -4.02 117.00 124.14 3i9d n LEU 47 Ca -0.00 -3.42 -0.15 0.00 -0.01 0.00 0.00 56.01 52.42 3i9d n LEU 47 Cb 0.46 -0.81 -0.05 0.00 -0.11 0.00 0.00 43.42 42.91 3i9d n LEU 47 CO 0.45 1.01 0.46 -0.33 -1.51 0.00 0.00 177.39 177.47 3i9d h GLU 48 N 0.95 0.77 -0.19 3.23 4.39 -1.80 -3.06 114.58 118.86 3i9d h GLU 48 Ca 0.57 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.79 3i9d h GLU 48 Cb 2.59 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 31.29 3i9d h GLU 48 CO 1.02 1.11 0.00 -0.35 -1.16 0.00 0.00 179.01 179.63 3i9d n PRO 49 N -4.12 0.54 -0.08 2.33 -0.04 -1.26 -2.94 135.00 129.42 3i9d n PRO 49 Ca -0.05 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.31 3i9d n PRO 49 Cb 0.58 -1.10 -0.03 0.00 -0.04 0.00 0.00 33.50 32.91 3i9d n PRO 49 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3i9d n LEU 50 N -0.24 1.88 -0.18 1.53 4.77 -1.16 -4.39 117.00 119.20 3i9d n LEU 50 Ca 0.00 0.32 -0.04 0.00 -0.03 0.00 0.00 56.01 56.26 3i9d n LEU 50 Cb 0.05 -0.72 0.15 0.00 -2.33 0.00 0.00 43.42 40.57 3i9d n LEU 50 CO 0.00 -0.23 1.01 0.03 -1.33 0.00 0.00 177.39 176.87 3i9d h ARG 51 N -0.93 0.95 -0.74 3.23 3.08 -1.67 0.42 114.38 118.72 3i9d h ARG 51 Ca -0.06 -0.18 0.14 0.00 0.07 0.00 0.00 59.98 59.95 3i9d h ARG 51 Cb 0.99 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.84 3i9d h ARG 51 CO -0.04 0.82 0.49 0.00 -1.07 0.00 0.00 179.97 180.17 3i9d h ALA 52 N 1.29 2.11 -0.02 0.04 0.00 -1.79 -0.47 119.26 120.43 3i9d h ALA 52 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3i9d h ALA 52 Cb 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3i9d h ALA 52 CO -0.01 -0.31 -0.03 1.55 0.00 0.00 0.00 179.25 180.45 3i9d n VAL 53 N -4.48 0.00 -2.61 0.00 3.14 -0.97 -4.98 118.33 108.44 3i9d n VAL 53 Ca 0.14 -0.48 -0.12 0.00 -2.96 0.00 0.00 64.34 60.92 3i9d n VAL 53 Cb 0.52 1.29 0.02 0.00 -1.06 0.00 0.00 33.84 34.61 3i9d n VAL 53 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3i9d n ASP 54 N 0.71 -4.00 -3.05 6.55 8.00 0.30 -4.92 116.55 120.15 3i9d n ASP 54 Ca 0.08 -0.14 -0.37 0.00 0.71 0.00 0.00 54.79 55.08 3i9d n ASP 54 Cb 0.36 -2.93 0.01 0.00 -0.02 0.00 0.00 41.12 38.53 3i9d n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i9d n ALA 55 N -2.58 6.45 -0.77 2.24 0.00 0.12 -4.87 120.51 121.10 3i9d n ALA 55 Ca -0.07 -3.97 0.00 0.00 0.00 0.00 0.00 53.44 49.39 3i9d n ALA 55 Cb 0.57 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.85 3i9d n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i9d n LEU 56 N 0.18 0.00 -2.38 0.00 0.00 -1.26 -4.02 117.00 109.52 3i9d n LEU 56 Ca 0.52 0.01 -0.19 0.00 0.00 0.00 0.00 56.01 56.35 3i9d n LEU 56 Cb 0.31 0.00 0.02 0.00 0.00 0.00 0.00 43.42 43.76 3i9d n LEU 56 CO 0.49 0.00 0.11 0.61 0.00 0.00 0.00 177.39 178.60 3i9d n GLY 57 N -0.01 4.85 0.12 -3.96 0.00 -1.26 -4.73 105.19 100.19 3i9d n GLY 57 Ca 0.00 -2.24 0.12 0.00 0.00 0.00 0.00 46.02 43.90 3i9d n GLY 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3i9d h HIS 58 N 2.47 0.00 -3.14 1.61 3.86 -1.75 -3.40 115.15 114.80 3i9d h HIS 58 Ca 0.20 0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 59.01 3i9d h HIS 58 Cb 1.27 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.60 3i9d h HIS 58 CO 0.73 0.00 -0.69 -0.06 0.86 0.00 0.00 177.93 178.77 3i9d s PHE 59 N -3.21 1.56 0.22 2.45 0.40 -1.23 -2.50 117.98 115.68 3i9d s PHE 59 Ca 0.06 -0.77 0.00 0.00 -0.60 0.00 0.00 56.93 55.62 3i9d s PHE 59 Cb 0.10 -0.84 -0.00 0.00 0.51 0.00 0.00 43.02 42.80 3i9d s PHE 59 CO 0.70 0.13 0.00 -0.25 0.70 0.00 0.00 175.22 176.50 3i9d n ASP 60 N -0.37 2.62 -3.62 1.36 8.00 -0.73 -3.55 116.55 120.26 3i9d n ASP 60 Ca -0.07 -1.98 -0.08 0.00 0.71 0.00 0.00 54.79 53.37 3i9d n ASP 60 Cb 0.62 0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 41.82 3i9d n ASP 60 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i9d s ALA 61 N -2.38 -2.02 -0.09 2.24 0.00 -1.23 -2.83 121.76 115.44 3i9d s ALA 61 Ca 0.00 1.76 -0.04 0.00 0.00 0.00 0.00 51.96 53.68 3i9d s ALA 61 Cb 0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 3i9d s ALA 61 CO 0.00 -0.23 0.06 -0.47 0.00 0.00 0.00 175.76 175.12 3i9d s TYR 62 N -0.33 3.35 -0.08 0.00 5.04 0.78 -0.83 117.35 125.29 3i9d s TYR 62 Ca 0.03 0.33 -0.00 0.00 -2.44 0.00 0.00 57.07 54.99 3i9d s TYR 62 Cb -0.03 -1.85 0.02 0.00 0.35 0.00 0.00 41.96 40.46 3i9d s TYR 62 CO -0.06 0.59 -0.04 0.42 -1.34 0.00 0.00 175.55 175.11 3i9d s ILE 63 N -0.97 0.69 -0.69 3.14 1.09 0.29 -2.04 121.20 122.70 3i9d s ILE 63 Ca 0.15 -0.12 -0.09 0.00 -1.10 0.00 0.00 60.65 59.49 3i9d s ILE 63 Cb -0.12 -0.75 0.18 0.00 -1.06 0.00 0.00 42.46 40.72 3i9d s ILE 63 CO 0.04 0.30 0.57 -0.89 -0.10 0.00 0.00 174.94 174.86 3i9d s THR 64 N 1.53 4.64 -0.19 2.92 2.01 -1.19 0.23 115.64 125.59 3i9d s THR 64 Ca -0.00 -2.57 -0.10 0.00 0.31 0.00 0.00 61.69 59.33 3i9d s THR 64 Cb -0.13 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 3i9d s THR 64 CO -0.04 -0.93 0.14 0.54 -0.69 0.00 0.00 174.62 173.64 3i9d s VAL 65 N 0.25 5.41 0.02 3.82 0.11 -1.26 -1.69 120.40 127.06 3i9d s VAL 65 Ca 0.16 0.21 -0.07 0.00 -2.93 0.00 0.00 61.98 59.35 3i9d s VAL 65 Cb -0.17 -3.47 -0.00 0.00 -1.53 0.00 0.00 36.38 31.21 3i9d s VAL 65 CO -0.05 0.46 0.13 -0.13 -3.33 0.00 0.00 175.10 172.18 3i9d s ARG 66 N 0.22 0.55 1.59 1.54 0.52 0.03 -4.96 118.95 118.44 3i9d s ARG 66 Ca 0.09 -0.55 0.00 0.00 -0.52 0.00 0.00 55.73 54.75 3i9d s ARG 66 Cb -0.11 0.23 0.00 0.00 0.52 0.00 0.00 34.95 35.58 3i9d s ARG 66 CO -0.01 -0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.58 3i9d n GLY 67 N 1.10 -1.40 7.00 -3.53 0.00 -1.26 -0.04 105.19 107.06 3i9d n GLY 67 Ca -0.21 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3i9d n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9d n GLY 68 N 0.00 0.79 3.64 -0.02 0.00 -1.26 -4.05 105.19 104.29 3i9d n GLY 68 Ca 0.00 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 3i9d n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i9d s GLY 69 N -1.23 2.68 0.48 -0.02 0.00 -1.26 -4.76 107.32 103.21 3i9d s GLY 69 Ca 0.00 -1.33 0.40 0.00 0.00 0.00 0.00 44.72 43.78 3i9d s GLY 69 CO 0.00 -2.06 1.51 1.17 0.00 0.00 0.00 173.10 173.72 3i9d n LYS 70 N -1.04 -0.02 -0.08 2.90 3.00 -1.26 -2.34 118.16 119.32 3i9d n LYS 70 Ca -0.11 1.14 -0.09 0.00 -0.00 0.00 0.00 58.31 59.25 3i9d n LYS 70 Cb 0.67 -2.40 -0.05 0.00 0.00 0.00 0.00 35.03 33.25 3i9d n LYS 70 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3i9d h SER 71 N 0.00 0.00 -1.48 3.14 0.87 -1.97 -3.22 113.55 110.89 3i9d h SER 71 Ca 0.88 -0.20 0.45 0.00 -1.23 0.00 0.00 61.79 61.70 3i9d h SER 71 Cb 3.17 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 65.03 3i9d h SER 71 CO -0.25 0.94 1.01 1.23 -0.53 0.00 0.00 176.83 179.23 3i9d h GLY 72 N -1.00 0.74 0.81 5.77 0.00 -1.73 1.31 103.07 108.98 3i9d h GLY 72 Ca -0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 3i9d h GLY 72 CO -0.06 -0.22 -0.23 1.46 0.00 0.00 0.00 176.54 177.50 3i9d h GLN 73 N 0.07 -0.62 -0.86 4.80 4.20 -1.61 0.24 115.11 121.33 3i9d h GLN 73 Ca 0.81 0.04 0.11 0.00 0.06 0.00 0.00 58.65 59.67 3i9d h GLN 73 Cb 2.82 0.14 -0.08 0.00 0.30 0.00 0.00 27.48 30.66 3i9d h GLN 73 CO -0.24 -0.33 0.49 0.82 -0.67 0.00 0.00 178.83 178.90 3i9d h ILE 74 N -0.84 0.86 0.00 2.54 2.04 0.16 0.11 117.51 122.38 3i9d h ILE 74 Ca -0.07 -0.27 -0.14 0.00 1.00 0.00 0.00 64.86 65.38 3i9d h ILE 74 Cb 0.58 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3i9d h ILE 74 CO 0.11 0.14 -0.68 0.44 0.00 0.00 0.00 178.15 178.16 3i9d h ASP 75 N 0.78 0.00 0.39 1.72 3.32 -0.93 -2.67 116.42 119.03 3i9d h ASP 75 Ca 0.43 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.46 3i9d h ASP 75 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3i9d h ASP 75 CO -0.28 0.68 -0.19 0.00 -1.72 0.00 0.00 179.24 177.73 3i9d h ALA 76 N 1.32 -0.52 -0.32 3.45 0.00 0.12 -2.98 119.26 120.33 3i9d h ALA 76 Ca -0.01 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.77 3i9d h ALA 76 Cb 1.34 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 19.25 3i9d h ALA 76 CO 0.09 -0.65 -0.50 0.82 0.00 0.00 0.00 179.25 179.01 3i9d h ILE 77 N -0.81 0.05 -0.27 0.00 2.04 -0.90 0.22 117.51 117.85 3i9d h ILE 77 Ca -0.05 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.88 3i9d h ILE 77 Cb 0.53 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3i9d h ILE 77 CO 0.09 0.00 0.82 0.50 0.00 0.00 0.00 178.15 179.56 3i9d h LYS 78 N -0.43 0.00 0.09 2.37 3.64 -1.45 0.65 116.57 121.44 3i9d h LYS 78 Ca 0.09 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.10 3i9d h LYS 78 Cb 0.62 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 3i9d h LYS 78 CO -0.53 0.00 -2.08 -0.11 -2.27 0.00 0.00 179.45 174.46 3i9d n LEU 79 N -2.89 2.52 0.12 5.20 -0.00 0.70 -3.76 117.00 118.90 3i9d n LEU 79 Ca 0.05 0.15 -0.13 0.00 -0.00 0.00 0.00 56.01 56.08 3i9d n LEU 79 Cb 0.92 -0.95 -0.08 0.00 -0.00 0.00 0.00 43.42 43.31 3i9d n LEU 79 CO 0.11 0.83 0.64 1.23 -0.00 0.00 0.00 177.39 180.20 3i9d h GLY 80 N 1.52 -0.32 0.74 -3.96 0.00 0.10 -1.54 103.07 99.60 3i9d h GLY 80 Ca -0.45 0.12 0.04 0.00 0.00 0.00 0.00 47.33 47.04 3i9d h GLY 80 CO 0.05 -0.12 0.60 -2.22 0.00 0.00 0.00 176.54 174.85 3i9d h ILE 81 N -0.57 0.05 0.00 2.60 1.08 -0.97 1.22 117.51 120.92 3i9d h ILE 81 Ca -0.03 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.43 3i9d h ILE 81 Cb 0.42 0.43 -0.00 0.00 -3.07 0.00 0.00 36.82 34.60 3i9d h ILE 81 CO 0.05 0.00 -0.06 0.00 -0.69 0.00 0.00 178.15 177.45 3i9d h ALA 82 N 0.92 0.01 0.00 1.87 0.00 -1.40 -2.94 119.26 117.72 3i9d h ALA 82 Ca 0.06 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 3i9d h ALA 82 Cb 1.25 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3i9d h ALA 82 CO -0.00 0.04 -0.30 0.07 0.00 0.00 0.00 179.25 179.06 3i9d h ARG 83 N -1.00 0.00 0.30 0.00 0.11 0.10 -1.50 114.38 112.39 3i9d h ARG 83 Ca -0.01 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.05 3i9d h ARG 83 Cb 0.68 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.76 3i9d h ARG 83 CO -0.01 0.30 -0.15 0.00 0.10 0.00 0.00 179.97 180.21 3i9d h ALA 84 N 1.70 -0.88 0.00 0.08 0.00 0.13 -2.62 119.26 117.67 3i9d h ALA 84 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i9d h ALA 84 Cb 0.86 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3i9d h ALA 84 CO 0.04 -0.85 0.00 1.47 0.00 0.00 0.00 179.25 179.91 3i9d n LEU 85 N -3.35 0.00 0.01 0.00 -0.00 -1.11 -1.57 117.00 110.98 3i9d n LEU 85 Ca -0.05 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 55.97 3i9d n LEU 85 Cb 0.16 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.48 3i9d n LEU 85 CO 0.12 0.00 -0.48 0.55 -0.00 0.00 0.00 177.39 177.58 3i9d n VAL 86 N -0.51 1.02 0.32 1.47 3.14 -0.56 -4.00 118.33 119.20 3i9d n VAL 86 Ca 0.00 -0.68 -0.14 0.00 -2.96 0.00 0.00 64.34 60.56 3i9d n VAL 86 Cb 0.00 -0.57 -0.07 0.00 -1.06 0.00 0.00 33.84 32.15 3i9d n VAL 86 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 3i9d h GLN 87 N 0.00 -0.82 -5.49 1.45 4.15 -0.90 -3.23 115.11 110.26 3i9d h GLN 87 Ca -0.19 0.06 -0.15 0.00 0.77 0.00 0.00 58.65 59.14 3i9d h GLN 87 Cb 1.57 0.19 -0.01 0.00 0.21 0.00 0.00 27.48 29.44 3i9d h GLN 87 CO 0.03 -0.52 0.42 -0.47 -1.93 0.00 0.00 178.83 176.37 3i9d s TYR 88 N -4.53 1.31 0.00 3.99 6.04 -1.18 -3.59 117.35 119.40 3i9d s TYR 88 Ca -0.13 1.58 0.00 0.00 0.04 0.00 0.00 57.07 58.55 3i9d s TYR 88 Cb 0.01 -3.62 0.00 0.00 -1.04 0.00 0.00 41.96 37.31 3i9d s TYR 88 CO 0.42 -1.75 0.00 0.09 -1.54 0.00 0.00 175.55 172.77 3i9d n ASN 89 N 17.03 -1.14 0.00 4.32 3.02 -1.26 -4.87 115.26 132.36 3i9d n ASN 89 Ca 0.43 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.99 3i9d n ASN 89 Cb 0.46 -0.57 0.05 0.00 -0.61 0.00 0.00 39.78 39.11 3i9d n ASN 89 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3i9d n PRO 90 N -0.06 0.02 0.06 3.52 -0.04 -1.22 -1.90 135.00 135.38 3i9d n PRO 90 Ca 0.00 0.33 0.13 0.00 -0.04 0.00 0.00 63.50 63.91 3i9d n PRO 90 Cb 0.00 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.44 3i9d n PRO 90 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3i9d n ASP 91 N -1.35 0.45 -1.77 3.54 5.75 -1.26 -4.02 116.55 117.88 3i9d n ASP 91 Ca 0.01 0.55 -0.01 0.00 -0.01 0.00 0.00 54.79 55.33 3i9d n ASP 91 Cb 0.02 -0.67 -0.02 0.00 -1.03 0.00 0.00 41.12 39.42 3i9d n ASP 91 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3i9d n TYR 92 N -1.93 0.00 0.08 2.11 0.53 -0.80 -3.15 117.16 114.01 3i9d n TYR 92 Ca 0.05 -0.67 0.11 0.00 -1.02 0.00 0.00 57.90 56.37 3i9d n TYR 92 Cb 0.35 -0.53 -0.16 0.00 -1.03 0.00 0.00 39.34 37.97 3i9d n TYR 92 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71 3i9d n ARG 93 N 1.86 0.60 -3.06 -0.72 3.00 -1.26 -4.04 116.66 113.04 3i9d n ARG 93 Ca 0.04 -0.17 -0.37 0.00 -0.00 0.00 0.00 57.85 57.35 3i9d n ARG 93 Cb 0.35 -1.50 -0.02 0.00 0.00 0.00 0.00 32.46 31.30 3i9d n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i9d n ALA 94 N -2.16 4.97 0.00 5.13 0.00 -1.19 -2.40 120.51 124.86 3i9d n ALA 94 Ca -0.03 -4.77 0.00 0.00 0.00 0.00 0.00 53.44 48.64 3i9d n ALA 94 Cb 0.53 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3i9d n ALA 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3i9d n LYS 95 N 0.87 0.00 0.00 0.00 -0.00 -1.26 -4.94 118.16 112.83 3i9d n LYS 95 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.61 3i9d n LYS 95 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.38 3i9d n LYS 95 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3i9d n LEU 96 N 0.00 0.00 -0.07 -5.58 7.94 -1.25 -4.68 117.00 113.36 3i9d n LEU 96 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 3i9d n LEU 96 Cb 0.00 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.89 3i9d n LEU 96 CO 0.00 0.00 -0.13 0.50 -1.11 0.00 0.00 177.39 176.65 3i9d h LYS 97 N 0.00 0.00 0.00 1.96 1.63 -1.75 -2.73 116.57 115.67 3i9d h LYS 97 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3i9d h LYS 97 Cb 0.35 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 3i9d h LYS 97 CO 0.00 0.42 0.21 -1.35 -3.45 0.00 0.00 179.45 175.28 3i9d h PRO 98 N -1.00 0.00 -0.38 1.90 0.11 -1.88 0.83 132.00 131.58 3i9d h PRO 98 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3i9d h PRO 98 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 3i9d h PRO 98 CO -0.05 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.02 3i9d n LEU 99 N -2.27 3.15 -0.39 2.35 7.99 -1.25 -4.98 117.00 121.59 3i9d n LEU 99 Ca -0.01 -2.10 0.00 0.00 -0.01 0.00 0.00 56.01 53.88 3i9d n LEU 99 Cb 0.24 -0.29 0.00 0.00 -0.11 0.00 0.00 43.42 43.26 3i9d n LEU 99 CO 0.09 0.75 0.00 0.61 -1.51 0.00 0.00 177.39 177.33 3i9d n GLY 100 N 0.53 0.00 0.15 -0.72 0.00 0.29 -4.62 105.19 100.82 3i9d n GLY 100 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 3i9d n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i9d n PHE 101 N -0.39 0.55 -2.46 1.61 0.99 -1.05 -1.79 117.46 114.91 3i9d n PHE 101 Ca 0.00 0.29 -0.39 0.00 -0.00 0.00 0.00 57.45 57.35 3i9d n PHE 101 Cb 0.00 -0.86 0.02 0.00 -1.00 0.00 0.00 39.48 37.64 3i9d n PHE 101 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 3i9d n LEU 102 N -2.10 7.09 -3.73 4.37 0.00 -1.23 -4.66 117.00 116.74 3i9d n LEU 102 Ca -0.01 -5.26 -0.12 0.00 0.00 0.00 0.00 56.01 50.62 3i9d n LEU 102 Cb 0.17 -1.07 -0.07 0.00 0.00 0.00 0.00 43.42 42.45 3i9d n LEU 102 CO 0.07 2.00 0.07 -0.89 0.00 0.00 0.00 177.39 178.64 3i9d s THR 103 N -4.60 0.07 -0.21 1.96 2.01 -0.74 -5.05 115.64 109.08 3i9d s THR 103 Ca 0.44 -0.58 -0.05 0.00 0.31 0.00 0.00 61.69 61.81 3i9d s THR 103 Cb 0.27 -0.89 -0.02 0.00 0.01 0.00 0.00 72.50 71.87 3i9d s THR 103 CO -0.21 -0.32 0.00 -0.13 -0.69 0.00 0.00 174.62 173.27 3i9d s ARG 104 N -2.30 3.59 -0.82 4.92 0.52 -1.26 -5.00 118.95 118.60 3i9d s ARG 104 Ca -0.07 -0.53 -0.25 0.00 -0.52 0.00 0.00 55.73 54.36 3i9d s ARG 104 Cb -0.02 -3.10 -0.07 0.00 0.52 0.00 0.00 34.95 32.29 3i9d s ARG 104 CO -0.02 -0.04 2.08 -0.51 0.02 0.00 0.00 175.30 176.83 3i9d s ASP 105 N 1.15 4.80 0.00 0.23 -0.00 -1.26 -4.75 116.67 116.84 3i9d s ASP 105 Ca 0.03 -0.28 0.00 0.00 -0.00 0.00 0.00 52.55 52.30 3i9d s ASP 105 Cb -0.14 -2.55 0.00 0.00 -0.00 0.00 0.00 42.92 40.22 3i9d s ASP 105 CO 0.01 -3.00 0.45 0.00 -0.00 0.00 0.00 175.17 172.64 3i9d n ALA 106 N 15.13 1.35 -1.68 5.23 0.00 -1.26 -4.54 120.51 134.74 3i9d n ALA 106 Ca 0.39 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.52 3i9d n ALA 106 Cb 0.47 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 18.98 3i9d n ALA 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i9d s ARG 107 N -1.90 2.11 0.11 0.00 0.52 -1.26 -4.93 118.95 113.59 3i9d s ARG 107 Ca 0.00 0.96 0.08 0.00 -0.52 0.00 0.00 55.73 56.26 3i9d s ARG 107 Cb 0.00 -4.63 -0.04 0.00 0.52 0.00 0.00 34.95 30.81 3i9d s ARG 107 CO 0.00 -3.45 -0.20 0.14 0.02 0.00 0.00 175.30 171.81 3i9d s VAL 108 N 12.10 1.73 -0.84 3.52 -7.23 -1.26 -4.54 120.40 123.89 3i9d s VAL 108 Ca 0.89 -1.61 -0.21 0.00 -1.81 0.00 0.00 61.98 59.24 3i9d s VAL 108 Cb -0.15 -1.61 -0.19 0.00 0.56 0.00 0.00 36.38 34.99 3i9d s VAL 108 CO 0.19 -0.11 2.29 0.52 -0.31 0.00 0.00 175.10 177.68 3i9d n VAL 109 N 0.94 0.00 -1.73 1.32 0.31 -1.26 -4.87 118.33 113.03 3i9d n VAL 109 Ca -0.18 -0.45 -0.42 0.00 -0.01 0.00 0.00 64.34 63.27 3i9d n VAL 109 Cb 0.54 -1.48 -0.03 0.00 -0.91 0.00 0.00 33.84 31.96 3i9d n VAL 109 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3i9d s GLU 110 N 8.34 4.13 0.20 5.55 -1.05 -1.26 -4.84 118.70 129.77 3i9d s GLU 110 Ca 0.98 2.59 -0.09 0.00 -0.15 0.00 0.00 54.97 58.31 3i9d s GLU 110 Cb -0.28 -3.24 -0.07 0.00 -0.44 0.00 0.00 34.13 30.10 3i9d s GLU 110 CO 0.20 -0.78 -0.01 -2.13 0.95 0.00 0.00 175.26 173.49 3i9d n ARG 111 N 4.53 0.00 -3.01 -4.83 0.63 -1.26 -4.90 116.66 107.82 3i9d n ARG 111 Ca 0.16 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.66 3i9d n ARG 111 Cb 0.36 -0.43 -0.05 0.00 0.45 0.00 0.00 32.46 32.79 3i9d n ARG 111 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3i9d s LYS 112 N -0.43 3.14 1.25 -0.14 2.36 -1.26 -4.55 119.74 120.10 3i9d s LYS 112 Ca 0.25 -0.84 -0.18 0.00 -2.55 0.00 0.00 55.97 52.65 3i9d s LYS 112 Cb -0.25 -4.16 0.30 0.00 -1.05 0.00 0.00 37.83 32.68 3i9d s LYS 112 CO 0.28 -1.50 1.03 0.15 1.55 0.00 0.00 175.35 176.87 3i9d s LYS 113 N 3.27 -1.56 0.00 4.03 3.01 -1.26 -4.71 119.74 122.52 3i9d s LYS 113 Ca 0.19 0.23 -0.15 0.00 -1.01 0.00 0.00 55.97 55.23 3i9d s LYS 113 Cb -0.18 -1.53 -0.06 0.00 -1.01 0.00 0.00 37.83 35.05 3i9d s LYS 113 CO 0.12 -4.00 0.41 1.52 0.51 0.00 0.00 175.35 173.91 3i9d s TYR 114 N -2.66 3.72 -0.49 3.18 -0.00 -1.26 -4.02 117.35 115.82 3i9d s TYR 114 Ca 0.69 0.99 0.00 0.00 -0.00 0.00 0.00 57.07 58.75 3i9d s TYR 114 Cb -0.15 -2.28 0.00 0.00 -0.00 0.00 0.00 41.96 39.53 3i9d s TYR 114 CO 0.58 0.64 0.00 0.41 -0.00 0.00 0.00 175.55 177.19 3i9d n GLY 115 N 1.78 0.48 2.80 5.49 0.00 -1.26 -4.99 105.19 109.50 3i9d n GLY 115 Ca -0.14 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 3i9d n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9d s LYS 116 N -3.29 0.73 0.00 1.61 1.02 -1.26 -4.67 119.74 113.88 3i9d s LYS 116 Ca 0.00 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 55.08 3i9d s LYS 116 Cb 0.00 -0.61 0.00 0.00 -0.52 0.00 0.00 37.83 36.70 3i9d s LYS 116 CO 0.00 -1.22 0.00 0.72 -0.92 0.00 0.00 175.35 173.93 3i9d n HIS 117 N 4.04 0.00 -2.68 3.18 8.25 -1.07 -1.43 115.22 125.51 3i9d n HIS 117 Ca 0.13 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.51 3i9d n HIS 117 Cb 0.48 -0.26 0.07 0.00 1.12 0.00 0.00 29.99 31.40 3i9d n HIS 117 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3i9d n LYS 118 N -1.63 1.17 0.00 -0.41 5.02 -1.23 -5.01 118.16 116.06 3i9d n LYS 118 Ca 0.00 -2.59 0.00 0.00 -2.02 0.00 0.00 58.31 53.70 3i9d n LYS 118 Cb 0.00 -0.69 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 3i9d n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i9d n ALA 119 N -0.31 0.00 0.00 7.82 0.00 -0.51 -4.01 120.51 123.49 3i9d n ALA 119 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3i9d n ALA 119 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.28 3i9d n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i9d n ARG 120 N -0.44 0.00 -1.94 0.00 1.74 -1.26 -4.41 116.66 110.34 3i9d n ARG 120 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 3i9d n ARG 120 Cb 0.00 -0.19 -0.03 0.00 -1.02 0.00 0.00 32.46 31.22 3i9d n ARG 120 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3i9d s ARG 121 N -1.00 2.78 0.39 5.56 3.00 -1.26 -4.95 118.95 123.48 3i9d s ARG 121 Ca 0.00 1.03 -0.22 0.00 -1.00 0.00 0.00 55.73 55.53 3i9d s ARG 121 Cb 0.00 -4.36 -0.10 0.00 0.00 0.00 0.00 34.95 30.49 3i9d s ARG 121 CO 0.00 -2.52 0.93 0.00 0.00 0.00 0.00 175.30 173.71 3i9d s ALA 122 N 8.84 3.11 0.78 6.12 0.00 -1.26 -2.60 121.76 136.75 3i9d s ALA 122 Ca 0.77 0.42 -0.12 0.00 0.00 0.00 0.00 51.96 53.02 3i9d s ALA 122 Cb -0.17 -3.13 0.07 0.00 0.00 0.00 0.00 23.12 19.88 3i9d s ALA 122 CO 0.26 0.16 1.12 -1.25 0.00 0.00 0.00 175.76 176.05 3i9d s PRO 123 N -2.80 2.02 -0.11 0.00 0.04 -1.26 -4.89 135.00 128.00 3i9d s PRO 123 Ca 0.58 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.69 3i9d s PRO 123 Cb -0.12 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 3i9d s PRO 123 CO 0.17 -1.85 2.09 0.94 0.04 0.00 0.00 177.00 178.38 3i9d n GLN 124 N -3.43 2.29 -1.95 4.56 7.27 -1.26 -4.94 117.38 119.92 3i9d n GLN 124 Ca 0.10 0.75 -0.41 0.00 0.07 0.00 0.00 57.00 57.52 3i9d n GLN 124 Cb 0.52 -3.03 -0.02 0.00 2.41 0.00 0.00 30.24 30.12 3i9d n GLN 124 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 3i9d s TYR 125 N 6.24 2.96 -0.14 3.69 6.04 -1.26 -4.96 117.35 129.92 3i9d s TYR 125 Ca 0.96 0.94 0.02 0.00 0.04 0.00 0.00 57.07 59.03 3i9d s TYR 125 Cb -0.45 -3.89 -0.10 0.00 -1.04 0.00 0.00 41.96 36.48 3i9d s TYR 125 CO 0.41 -2.93 -0.12 0.43 -1.54 0.00 0.00 175.55 171.80 3i9d n SER 126 N 2.40 2.80 0.00 4.32 7.64 -1.26 -4.98 113.62 124.54 3i9d n SER 126 Ca 0.08 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3i9d n SER 126 Cb 0.39 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 3i9d n SER 126 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3i9d n LYS 127 N -2.89 0.00 0.00 1.43 4.81 -1.26 -5.37 118.16 114.88 3i9d n LYS 127 Ca -0.26 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.21 3i9d n LYS 127 Cb 0.78 0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.97 3i9d n LYS 127 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44