#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q3a n GLN 2 N 0.00 3.18 -4.25 1.20 1.13 -1.26 -4.94 117.38 112.43 2q3a n GLN 2 Ca 0.00 -2.28 -0.14 0.00 -1.94 0.00 0.00 57.00 52.64 2q3a n GLN 2 Cb 0.00 -1.77 -0.10 0.00 0.11 0.00 0.00 30.24 28.48 2q3a n GLN 2 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2q3a s PHE 3 N -1.78 1.32 -0.16 1.08 0.40 -1.26 0.40 117.98 117.98 2q3a s PHE 3 Ca 0.41 -1.30 -0.05 0.00 -0.60 0.00 0.00 56.93 55.40 2q3a s PHE 3 Cb 0.26 -0.71 0.06 0.00 0.51 0.00 0.00 43.02 43.14 2q3a s PHE 3 CO 0.20 -0.51 0.08 0.50 0.70 0.00 0.00 175.22 176.19 2q3a s ARG 4 N -4.10 0.11 0.24 0.44 3.52 -0.14 -4.83 118.95 114.18 2q3a s ARG 4 Ca 0.39 -0.09 0.07 0.00 -0.13 0.00 0.00 55.73 55.97 2q3a s ARG 4 Cb 0.07 -1.78 -0.04 0.00 -1.56 0.00 0.00 34.95 31.65 2q3a s ARG 4 CO 0.13 -0.65 0.17 0.14 -0.81 0.00 0.00 175.30 174.28 2q3a s VAL 5 N 2.11 4.36 0.08 7.11 -7.23 -1.26 0.44 120.40 126.01 2q3a s VAL 5 Ca 0.02 -1.40 -0.26 0.00 -1.81 0.00 0.00 61.98 58.52 2q3a s VAL 5 Cb -0.16 -3.33 0.08 0.00 0.56 0.00 0.00 36.38 33.53 2q3a s VAL 5 CO -0.09 -0.31 0.83 -0.94 -0.31 0.00 0.00 175.10 174.28 2q3a s SER 6 N -3.71 -0.36 0.10 4.85 1.04 0.64 -4.71 113.70 111.54 2q3a s SER 6 Ca 0.32 -0.11 -0.17 0.00 0.48 0.00 0.00 55.95 56.47 2q3a s SER 6 Cb -0.08 0.47 -0.07 0.00 0.10 0.00 0.00 66.02 66.44 2q3a s SER 6 CO 0.24 -0.79 0.54 -2.84 0.98 0.00 0.00 173.24 171.38 2q3a s PRO 7 N -3.33 4.08 0.29 4.02 0.02 -1.26 -0.63 135.00 138.19 2q3a s PRO 7 Ca 0.06 0.61 0.08 0.00 0.02 0.00 0.00 61.00 61.76 2q3a s PRO 7 Cb -0.01 -3.11 -0.04 0.00 0.02 0.00 0.00 34.50 31.36 2q3a s PRO 7 CO -0.07 0.58 0.17 -0.51 -0.33 0.00 0.00 177.00 176.85 2q3a s LEU 8 N -1.45 3.57 -0.32 -5.54 1.43 -1.26 -4.67 118.68 110.44 2q3a s LEU 8 Ca 0.32 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2q3a s LEU 8 Cb -0.17 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 43.94 2q3a s LEU 8 CO 0.18 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.23 2q3a n GLY 9 N -1.17 0.62 3.48 -3.19 0.00 -1.26 -5.03 105.19 98.64 2q3a n GLY 9 Ca -0.05 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 2q3a n GLY 9 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2q3a s ARG 10 N -1.74 1.93 0.28 1.61 1.70 -1.26 -5.17 118.95 116.30 2q3a s ARG 10 Ca 0.00 -2.17 0.04 0.00 -0.47 0.00 0.00 55.73 53.12 2q3a s ARG 10 Cb 0.00 -0.44 -0.06 0.00 -0.57 0.00 0.00 34.95 33.88 2q3a s ARG 10 CO 0.00 -0.53 0.03 0.95 -1.08 0.00 0.00 175.30 174.67 2q3a s THR 11 N -3.24 1.11 0.05 4.99 -4.23 -1.26 -4.71 115.64 108.35 2q3a s THR 11 Ca 0.26 -2.02 0.04 0.00 -1.18 0.00 0.00 61.69 58.79 2q3a s THR 11 Cb 0.02 -2.60 -0.02 0.00 1.34 0.00 0.00 72.50 71.24 2q3a s THR 11 CO 0.17 -0.13 -0.13 0.26 -0.54 0.00 0.00 174.62 174.25 2q3a s TRP 12 N -3.36 1.09 -0.04 3.99 0.51 -0.61 -5.00 118.94 115.52 2q3a s TRP 12 Ca 0.33 -0.40 -0.03 0.00 -2.12 0.00 0.00 56.10 53.88 2q3a s TRP 12 Cb 0.07 -0.63 -0.04 0.00 -0.81 0.00 0.00 33.47 32.06 2q3a s TRP 12 CO 0.13 0.02 0.15 -0.80 -0.51 0.00 0.00 176.95 175.94 2q3a s ASN 13 N -1.38 6.21 0.15 2.95 0.01 -1.26 -3.98 114.94 117.64 2q3a s ASN 13 Ca -0.02 0.33 -0.32 0.00 -0.71 0.00 0.00 52.86 52.14 2q3a s ASN 13 Cb -0.09 -1.93 -0.17 0.00 0.41 0.00 0.00 41.25 39.47 2q3a s ASN 13 CO 0.01 0.30 0.86 0.18 -1.51 0.00 0.00 177.10 176.94 2q3a n LEU 14 N 1.27 -0.00 0.00 0.60 4.77 -1.26 -0.38 117.00 122.00 2q3a n LEU 14 Ca -0.14 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.99 2q3a n LEU 14 Cb 0.53 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 2q3a n LEU 14 CO 0.39 -2.17 0.00 0.61 -1.33 0.00 0.00 177.39 174.89 2q3a n GLY 15 N 1.81 2.76 3.71 -0.72 0.00 0.55 -4.87 105.19 108.43 2q3a n GLY 15 Ca 0.17 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2q3a n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2q3a s GLU 16 N 0.00 1.78 -0.13 1.61 2.02 0.49 -3.58 118.70 120.89 2q3a s GLU 16 Ca 0.00 1.61 -0.18 0.00 0.02 0.00 0.00 54.97 56.42 2q3a s GLU 16 Cb 0.00 -1.81 -0.04 0.00 0.10 0.00 0.00 34.13 32.38 2q3a s GLU 16 CO 0.00 -2.08 0.48 0.99 0.02 0.00 0.00 175.26 174.67 2q3a s THR 17 N -2.34 5.18 -0.25 3.63 2.01 -1.26 -0.74 115.64 121.87 2q3a s THR 17 Ca 0.70 0.94 -0.10 0.00 0.31 0.00 0.00 61.69 63.54 2q3a s THR 17 Cb -0.25 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2q3a s THR 17 CO 0.51 0.31 0.14 -0.69 -0.69 0.00 0.00 174.62 174.20 2q3a s VAL 18 N 0.73 5.05 -0.24 3.82 1.01 0.99 -4.96 120.40 126.81 2q3a s VAL 18 Ca 0.25 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.33 2q3a s VAL 18 Cb -0.15 -3.37 0.06 0.00 0.00 0.00 0.00 36.38 32.91 2q3a s VAL 18 CO 0.10 0.32 -0.09 -0.70 0.00 0.00 0.00 175.10 174.73 2q3a s GLU 19 N 1.38 1.97 0.14 2.72 2.12 -1.26 -0.01 118.70 125.76 2q3a s GLU 19 Ca 0.07 -1.13 0.07 0.00 0.36 0.00 0.00 54.97 54.34 2q3a s GLU 19 Cb -0.15 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.50 2q3a s GLU 19 CO 0.06 -0.56 -0.04 -0.51 -0.54 0.00 0.00 175.26 173.68 2q3a s LEU 20 N 1.26 3.23 -0.01 2.70 1.43 0.13 -4.55 118.68 122.88 2q3a s LEU 20 Ca -0.06 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 2q3a s LEU 20 Cb -0.19 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.09 2q3a s LEU 20 CO -0.06 0.13 -0.05 -0.54 0.23 0.00 0.00 176.35 176.06 2q3a s LYS 21 N -2.63 0.53 -0.05 1.70 1.02 0.20 -0.91 119.74 119.61 2q3a s LYS 21 Ca 0.25 -0.17 0.01 0.00 0.02 0.00 0.00 55.97 56.08 2q3a s LYS 21 Cb -0.10 -0.54 0.02 0.00 -0.52 0.00 0.00 37.83 36.69 2q3a s LYS 21 CO 0.17 0.07 -0.06 0.00 -0.92 0.00 0.00 175.35 174.61 2q3a s GLN 23 N 1.00 3.98 -0.12 0.00 0.74 0.17 -1.51 119.66 123.92 2q3a s GLN 23 Ca -0.10 -0.31 -0.27 0.00 0.05 0.00 0.00 55.36 54.73 2q3a s GLN 23 Cb -0.14 -3.52 -0.02 0.00 1.10 0.00 0.00 33.01 30.42 2q3a s GLN 23 CO -0.00 -0.02 0.88 0.08 -0.55 0.00 0.00 175.29 175.68 2q3a s VAL 24 N 1.27 4.87 -1.78 1.34 1.01 -0.48 -0.97 120.40 125.67 2q3a s VAL 24 Ca 0.07 1.77 0.15 0.00 0.00 0.00 0.00 61.98 63.96 2q3a s VAL 24 Cb -0.14 -4.19 0.10 0.00 0.00 0.00 0.00 36.38 32.14 2q3a s VAL 24 CO 0.06 0.07 0.94 0.18 0.00 0.00 0.00 175.10 176.35 2q3a n LEU 25 N 4.82 2.14 -4.66 3.92 4.77 0.16 -4.92 117.00 123.24 2q3a n LEU 25 Ca 0.05 -0.97 -0.53 0.00 -0.03 0.00 0.00 56.01 54.53 2q3a n LEU 25 Cb 0.49 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 2q3a n LEU 25 CO 0.50 0.39 1.17 0.18 -1.33 0.00 0.00 177.39 178.30 2q3a n LEU 26 N 0.70 2.31 -0.17 2.23 4.77 -1.22 -4.85 117.00 120.78 2q3a n LEU 26 Ca 0.08 1.08 0.02 0.00 -0.03 0.00 0.00 56.01 57.17 2q3a n LEU 26 Cb 0.36 -1.22 0.30 0.00 -2.33 0.00 0.00 43.42 40.53 2q3a n LEU 26 CO 0.10 -0.60 1.22 -1.28 -1.33 0.00 0.00 177.39 175.50 2q3a h SER 27 N 6.32 0.76 -2.48 -1.43 0.87 -1.95 -3.28 113.55 112.36 2q3a h SER 27 Ca -0.47 -0.02 -0.60 0.00 -1.23 0.00 0.00 61.79 59.48 2q3a h SER 27 Cb 1.31 -0.18 -0.40 0.00 -0.44 0.00 0.00 62.40 62.68 2q3a h SER 27 CO 0.88 0.54 -0.77 -3.20 -0.53 0.00 0.00 176.83 173.75 2q3a n ASN 28 N -4.44 1.86 -4.73 6.23 5.15 -1.26 -5.10 115.26 112.97 2q3a n ASN 28 Ca 0.08 -2.98 -0.41 0.00 -0.60 0.00 0.00 54.58 50.66 2q3a n ASN 28 Cb 0.07 -0.66 -0.04 0.00 -0.53 0.00 0.00 39.78 38.62 2q3a n ASN 28 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2q3a s PRO 29 N -1.33 4.53 -0.24 1.20 0.04 -1.24 -4.50 135.00 133.47 2q3a s PRO 29 Ca 0.33 1.74 0.10 0.00 0.04 0.00 0.00 61.00 63.20 2q3a s PRO 29 Cb 0.07 -3.30 0.45 0.00 0.04 0.00 0.00 34.50 31.76 2q3a s PRO 29 CO -0.12 -0.05 1.31 0.25 0.04 0.00 0.00 177.00 178.43 2q3a n THR 30 N 2.91 2.34 -3.69 1.26 -2.24 -0.05 -4.98 114.28 109.83 2q3a n THR 30 Ca 0.05 -3.07 0.01 0.00 -2.27 0.00 0.00 64.05 58.77 2q3a n THR 30 Cb 0.46 -0.27 -0.00 0.00 -2.10 0.00 0.00 70.33 68.42 2q3a n THR 30 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2q3a s SER 31 N -2.98 -0.07 1.01 3.42 1.04 -1.25 -4.83 113.70 110.04 2q3a s SER 31 Ca 0.40 -0.21 -0.11 0.00 0.48 0.00 0.00 55.95 56.51 2q3a s SER 31 Cb 0.38 0.23 0.15 0.00 0.10 0.00 0.00 66.02 66.88 2q3a s SER 31 CO -0.05 -0.43 0.87 0.61 0.98 0.00 0.00 173.24 175.23 2q3a n GLY 32 N -0.53 -1.49 3.76 7.32 0.00 -1.26 -4.71 105.19 108.28 2q3a n GLY 32 Ca -0.07 -1.68 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 2q3a n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q3a s SER 34 N -0.15 4.90 0.03 0.00 0.01 0.08 -0.45 113.70 118.12 2q3a s SER 34 Ca 0.10 -0.24 -0.25 0.00 1.31 0.00 0.00 55.95 56.87 2q3a s SER 34 Cb -0.12 -1.87 -0.05 0.00 0.21 0.00 0.00 66.02 64.20 2q3a s SER 34 CO 0.00 -0.01 0.75 0.26 0.41 0.00 0.00 173.24 174.66 2q3a s TRP 35 N 1.46 3.71 0.24 2.43 0.52 -0.32 -1.11 118.94 125.87 2q3a s TRP 35 Ca 0.05 1.44 0.09 0.00 0.02 0.00 0.00 56.10 57.70 2q3a s TRP 35 Cb -0.15 -2.81 -0.05 0.00 -1.15 0.00 0.00 33.47 29.31 2q3a s TRP 35 CO 0.02 0.25 -0.15 -0.51 0.02 0.00 0.00 176.95 176.58 2q3a s LEU 36 N 0.06 2.57 -0.01 2.99 1.43 0.28 -1.39 118.68 124.60 2q3a s LEU 36 Ca 0.38 -1.05 0.03 0.00 -1.03 0.00 0.00 54.13 52.46 2q3a s LEU 36 Cb -0.20 -0.81 -0.01 0.00 0.03 0.00 0.00 46.19 45.20 2q3a s LEU 36 CO 0.22 -0.13 -0.10 0.12 0.23 0.00 0.00 176.35 176.69 2q3a s PHE 37 N -2.82 0.95 -0.06 0.29 5.36 0.03 -1.33 117.98 120.39 2q3a s PHE 37 Ca 0.26 -0.19 -0.01 0.00 -0.96 0.00 0.00 56.93 56.03 2q3a s PHE 37 Cb -0.01 -0.63 0.03 0.00 -0.34 0.00 0.00 43.02 42.07 2q3a s PHE 37 CO 0.10 -0.04 -0.01 -1.14 -1.46 0.00 0.00 175.22 172.67 2q3a s GLN 38 N -0.14 0.65 1.07 10.12 0.74 0.88 0.25 119.66 133.23 2q3a s GLN 38 Ca 0.02 0.05 -0.18 0.00 0.05 0.00 0.00 55.36 55.30 2q3a s GLN 38 Cb -0.05 -0.91 0.28 0.00 1.10 0.00 0.00 33.01 33.43 2q3a s GLN 38 CO -0.00 -0.23 0.66 -0.35 -0.55 0.00 0.00 175.29 174.81 2q3a n PRO 39 N 4.78 -4.00 -2.23 1.67 -0.04 -1.26 -0.19 135.00 133.73 2q3a n PRO 39 Ca -0.13 -1.10 -0.33 0.00 -0.04 0.00 0.00 63.50 61.90 2q3a n PRO 39 Cb 0.50 -1.38 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 2q3a n PRO 39 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2q3a s ARG 40 N -4.57 3.57 0.44 0.54 3.52 -1.26 -4.44 118.95 116.75 2q3a s ARG 40 Ca 0.50 1.16 0.00 0.00 -0.13 0.00 0.00 55.73 57.26 2q3a s ARG 40 Cb -0.08 -2.07 0.00 0.00 -1.56 0.00 0.00 34.95 31.24 2q3a s ARG 40 CO 0.41 -0.60 0.00 0.41 -0.81 0.00 0.00 175.30 174.71 2q3a n GLY 41 N -1.02 -1.66 3.94 8.12 0.00 -1.26 -4.79 105.19 108.52 2q3a n GLY 41 Ca 0.08 -1.85 -0.28 0.00 0.00 0.00 0.00 46.02 43.98 2q3a n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q3a s THR 42 N 0.00 5.35 -1.46 2.61 2.01 -1.26 -4.44 115.64 118.44 2q3a s THR 42 Ca 0.00 -0.58 -0.10 0.00 0.31 0.00 0.00 61.69 61.32 2q3a s THR 42 Cb 0.00 -3.70 0.05 0.00 0.01 0.00 0.00 72.50 68.86 2q3a s THR 42 CO 0.00 -0.01 0.82 0.00 -0.69 0.00 0.00 174.62 174.74 2q3a n ALA 43 N -0.26 -1.16 -2.59 7.40 0.00 -1.26 -4.91 120.51 117.73 2q3a n ALA 43 Ca -0.06 0.23 -0.43 0.00 0.00 0.00 0.00 53.44 53.18 2q3a n ALA 43 Cb 0.53 -4.16 -0.03 0.00 0.00 0.00 0.00 19.45 15.80 2q3a n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2q3a s ALA 44 N -3.19 3.14 0.16 0.00 0.00 -1.26 -5.02 121.76 115.59 2q3a s ALA 44 Ca 0.51 -0.65 -0.30 0.00 0.00 0.00 0.00 51.96 51.52 2q3a s ALA 44 Cb -0.25 -3.87 -0.08 0.00 0.00 0.00 0.00 23.12 18.93 2q3a s ALA 44 CO 0.63 -2.31 1.24 1.03 0.00 0.00 0.00 175.76 176.34 2q3a s ARG 45 N 4.39 4.44 0.52 0.00 0.52 -1.26 -4.80 118.95 122.77 2q3a s ARG 45 Ca 0.44 1.91 -0.13 0.00 -0.52 0.00 0.00 55.73 57.42 2q3a s ARG 45 Cb -0.08 -3.25 -0.06 0.00 0.52 0.00 0.00 34.95 32.07 2q3a s ARG 45 CO 0.29 -0.18 0.95 -2.14 0.02 0.00 0.00 175.30 174.24 2q3a s PRO 46 N 0.16 3.80 -0.04 3.54 0.02 -1.26 -4.28 135.00 136.94 2q3a s PRO 46 Ca 0.56 0.77 0.04 0.00 0.02 0.00 0.00 61.00 62.39 2q3a s PRO 46 Cb -0.33 -2.18 -0.00 0.00 0.02 0.00 0.00 34.50 32.01 2q3a s PRO 46 CO 0.35 -0.31 -0.15 0.99 -0.33 0.00 0.00 177.00 177.56 2q3a s THR 47 N -2.74 1.23 -0.10 0.99 2.01 0.14 -4.95 115.64 112.23 2q3a s THR 47 Ca 0.56 -0.61 -0.26 0.00 0.31 0.00 0.00 61.69 61.69 2q3a s THR 47 Cb -0.10 -1.07 -0.02 0.00 0.01 0.00 0.00 72.50 71.31 2q3a s THR 47 CO 0.38 0.36 0.85 0.12 -0.69 0.00 0.00 174.62 175.64 2q3a s PHE 48 N 0.10 3.52 -0.02 4.92 5.36 -1.26 -0.79 117.98 129.82 2q3a s PHE 48 Ca -0.04 1.38 -0.02 0.00 -0.96 0.00 0.00 56.93 57.30 2q3a s PHE 48 Cb -0.11 -3.00 -0.01 0.00 -0.34 0.00 0.00 43.02 39.56 2q3a s PHE 48 CO 0.02 -0.11 -0.03 1.28 -1.46 0.00 0.00 175.22 174.91 2q3a n LEU 49 N 4.57 0.20 -4.09 6.12 4.77 -0.49 -4.68 117.00 123.40 2q3a n LEU 49 Ca 0.04 0.03 -0.09 0.00 -0.03 0.00 0.00 56.01 55.96 2q3a n LEU 49 Cb 0.50 -0.46 -0.10 0.00 -2.33 0.00 0.00 43.42 41.03 2q3a n LEU 49 CO 0.49 -0.48 -0.37 -0.76 -1.33 0.00 0.00 177.39 174.94 2q3a s LEU 50 N -5.31 2.43 -0.14 2.23 1.43 -1.23 -1.64 118.68 116.44 2q3a s LEU 50 Ca -0.03 -0.86 0.02 0.00 -1.03 0.00 0.00 54.13 52.23 2q3a s LEU 50 Cb 0.00 0.05 0.01 0.00 0.03 0.00 0.00 46.19 46.28 2q3a s LEU 50 CO 0.04 -0.46 -0.21 -0.47 0.23 0.00 0.00 176.35 175.48 2q3a s TYR 51 N -3.09 2.66 -0.18 0.29 5.04 -0.19 -1.18 117.35 120.71 2q3a s TYR 51 Ca 0.03 -1.38 -0.03 0.00 -2.44 0.00 0.00 57.07 53.24 2q3a s TYR 51 Cb 0.02 -1.82 -0.02 0.00 0.35 0.00 0.00 41.96 40.49 2q3a s TYR 51 CO -0.06 -0.64 -0.05 -0.51 -1.34 0.00 0.00 175.55 172.96 2q3a s LEU 52 N 0.89 3.05 0.00 6.97 1.43 0.40 -1.15 118.68 130.28 2q3a s LEU 52 Ca -0.05 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 2q3a s LEU 52 Cb -0.15 -1.75 -0.00 0.00 0.03 0.00 0.00 46.19 44.32 2q3a s LEU 52 CO -0.04 0.09 0.04 -1.54 0.23 0.00 0.00 176.35 175.14 2q3a n SER 53 N 4.04 1.14 0.15 2.29 3.41 -1.26 -1.09 113.62 122.29 2q3a n SER 53 Ca -0.18 -1.67 0.13 0.00 -0.26 0.00 0.00 58.87 56.89 2q3a n SER 53 Cb 0.52 0.30 0.32 0.00 -0.26 0.00 0.00 64.21 65.09 2q3a n SER 53 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2q3a h GLN 54 N 0.00 0.00 0.00 4.33 4.20 -1.98 -3.41 115.11 118.25 2q3a h GLN 54 Ca -0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2q3a h GLN 54 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2q3a h GLN 54 CO 0.16 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.41 2q3a n ASN 55 N -2.58 0.00 -3.93 1.46 3.02 -1.26 -5.06 115.26 106.92 2q3a n ASN 55 Ca 0.05 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.49 2q3a n ASN 55 Cb 0.46 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.51 2q3a n ASN 55 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2q3a s LYS 56 N 0.00 0.16 0.27 3.52 2.20 -1.26 -5.12 119.74 119.50 2q3a s LYS 56 Ca 0.00 -0.31 -0.31 0.00 -0.36 0.00 0.00 55.97 55.00 2q3a s LYS 56 Cb 0.00 0.05 -0.13 0.00 -1.51 0.00 0.00 37.83 36.24 2q3a s LYS 56 CO 0.00 -0.02 1.49 -2.30 -0.36 0.00 0.00 175.35 174.16 2q3a n PRO 57 N 2.34 2.35 -3.87 4.03 -0.02 -1.26 -4.55 135.00 134.02 2q3a n PRO 57 Ca -0.18 0.84 -0.35 0.00 -2.02 0.00 0.00 63.50 61.78 2q3a n PRO 57 Cb 0.57 -2.55 -0.13 0.00 -0.02 0.00 0.00 33.50 31.37 2q3a n PRO 57 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2q3a s LYS 58 N -0.47 2.27 0.52 -0.52 2.36 -0.30 -4.96 119.74 118.65 2q3a s LYS 58 Ca 0.66 -1.44 -0.06 0.00 -2.55 0.00 0.00 55.97 52.57 2q3a s LYS 58 Cb -0.58 -3.30 -0.03 0.00 -1.05 0.00 0.00 37.83 32.87 2q3a s LYS 58 CO 0.49 -0.76 0.85 0.00 1.55 0.00 0.00 175.35 177.48 2q3a s ALA 59 N 1.21 3.33 0.25 3.13 0.00 -1.26 -1.02 121.76 127.40 2q3a s ALA 59 Ca -0.01 -0.47 -0.30 0.00 0.00 0.00 0.00 51.96 51.19 2q3a s ALA 59 Cb -0.20 -2.67 -0.09 0.00 0.00 0.00 0.00 23.12 20.15 2q3a s ALA 59 CO -0.02 -0.48 0.94 0.00 0.00 0.00 0.00 175.76 176.20 2q3a s ALA 60 N -2.86 3.33 0.16 0.00 0.00 -0.65 -4.97 121.76 116.77 2q3a s ALA 60 Ca 0.50 0.61 -0.34 0.00 0.00 0.00 0.00 51.96 52.72 2q3a s ALA 60 Cb -0.10 -3.21 -0.14 0.00 0.00 0.00 0.00 23.12 19.67 2q3a s ALA 60 CO 0.46 0.21 1.56 0.39 0.00 0.00 0.00 175.76 178.38 2q3a n GLU 61 N 1.38 2.09 -0.19 0.00 1.02 -1.26 -0.93 120.64 122.75 2q3a n GLU 61 Ca -0.02 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 2q3a n GLU 61 Cb 0.47 -2.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 2q3a n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2q3a n GLY 62 N 3.35 0.96 3.67 0.62 0.00 -1.26 -5.02 105.19 107.50 2q3a n GLY 62 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2q3a n GLY 62 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2q3a s LEU 63 N 0.00 4.23 -0.89 0.99 2.96 -0.11 -4.90 118.68 120.96 2q3a s LEU 63 Ca 0.00 1.81 -0.25 0.00 -0.22 0.00 0.00 54.13 55.47 2q3a s LEU 63 Cb 0.00 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.05 2q3a s LEU 63 CO 0.00 -0.73 2.13 -0.62 -1.32 0.00 0.00 176.35 175.81 2q3a s ASP 64 N 1.97 4.56 0.00 3.68 2.15 -1.26 -4.70 116.67 123.07 2q3a s ASP 64 Ca 0.57 -0.49 0.00 0.00 0.43 0.00 0.00 52.55 53.06 2q3a s ASP 64 Cb -0.24 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 39.82 2q3a s ASP 64 CO 0.19 -3.31 0.97 0.35 -0.17 0.00 0.00 175.17 173.19 2q3a n THR 65 N 8.29 1.86 -0.01 1.71 -2.24 -1.26 -0.90 114.28 121.72 2q3a n THR 65 Ca 0.43 0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 62.55 2q3a n THR 65 Cb 0.45 -1.46 -0.10 0.00 -2.10 0.00 0.00 70.33 67.12 2q3a n THR 65 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2q3a h GLN 66 N 0.00 -0.02 0.14 -0.78 7.50 -2.02 -3.37 115.11 116.56 2q3a h GLN 66 Ca 0.00 0.00 -0.25 0.00 0.50 0.00 0.00 58.65 58.90 2q3a h GLN 66 Cb 0.00 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.55 2q3a h GLN 66 CO 0.00 0.47 -1.21 0.00 -1.50 0.00 0.00 178.83 176.58 2q3a h ARG 67 N -0.51 0.29 -5.50 1.46 3.08 -1.38 -3.46 114.38 108.35 2q3a h ARG 67 Ca -0.00 -0.49 -0.60 0.00 0.07 0.00 0.00 59.98 58.96 2q3a h ARG 67 Cb 0.49 0.18 -0.10 0.00 0.08 0.00 0.00 29.97 30.63 2q3a h ARG 67 CO 0.00 1.24 -0.36 -0.06 -1.07 0.00 0.00 179.97 179.72 2q3a s PHE 68 N -2.47 3.48 0.02 3.04 0.40 -0.33 -2.29 117.98 119.83 2q3a s PHE 68 Ca -0.17 0.57 -0.10 0.00 -0.60 0.00 0.00 56.93 56.63 2q3a s PHE 68 Cb 0.03 -2.27 0.01 0.00 0.51 0.00 0.00 43.02 41.30 2q3a s PHE 68 CO 0.80 0.32 0.20 -1.54 0.70 0.00 0.00 175.22 175.70 2q3a s SER 69 N 0.20 0.00 0.06 1.36 1.04 -1.01 -4.31 113.70 111.04 2q3a s SER 69 Ca 0.15 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.31 2q3a s SER 69 Cb -0.13 0.27 -0.03 0.00 0.10 0.00 0.00 66.02 66.23 2q3a s SER 69 CO 0.03 -0.50 -0.05 -0.83 0.98 0.00 0.00 173.24 172.88 2q3a s GLY 70 N -1.84 0.51 -0.15 7.32 0.00 -1.26 -1.68 107.32 110.22 2q3a s GLY 70 Ca -0.08 -1.07 -0.15 0.00 0.00 0.00 0.00 44.72 43.42 2q3a s GLY 70 CO -0.02 -1.16 0.43 -1.59 0.00 0.00 0.00 173.10 170.76 2q3a s LYS 71 N -3.11 0.52 -0.16 2.90 -2.85 -0.88 -4.85 119.74 111.31 2q3a s LYS 71 Ca 0.02 0.55 -0.07 0.00 -1.00 0.00 0.00 55.97 55.47 2q3a s LYS 71 Cb 0.01 0.25 -0.04 0.00 -2.06 0.00 0.00 37.83 35.99 2q3a s LYS 71 CO -0.06 -0.07 0.07 0.50 0.10 0.00 0.00 175.35 175.90 2q3a s ARG 72 N 0.13 3.75 -0.41 1.78 3.52 -1.26 -0.76 118.95 125.70 2q3a s ARG 72 Ca -0.01 -0.30 0.02 0.00 -0.13 0.00 0.00 55.73 55.31 2q3a s ARG 72 Cb -0.03 -3.17 0.15 0.00 -1.56 0.00 0.00 34.95 30.34 2q3a s ARG 72 CO 0.01 0.44 0.26 -0.51 -0.81 0.00 0.00 175.30 174.69 2q3a s LEU 73 N -0.09 1.72 0.00 -0.88 1.43 -0.34 -5.03 118.68 115.50 2q3a s LEU 73 Ca 0.07 -2.60 0.00 0.00 -1.03 0.00 0.00 54.13 50.58 2q3a s LEU 73 Cb -0.12 -0.63 0.00 0.00 0.03 0.00 0.00 46.19 45.47 2q3a s LEU 73 CO 0.01 -0.25 0.00 0.61 0.23 0.00 0.00 176.35 176.95 2q3a n GLY 74 N 3.52 2.61 1.14 -3.19 0.00 -1.26 -2.09 105.19 105.92 2q3a n GLY 74 Ca 0.16 -0.34 0.11 0.00 0.00 0.00 0.00 46.02 45.95 2q3a n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2q3a n ASP 75 N 8.76 3.54 -4.39 1.61 8.00 -1.26 -4.89 116.55 127.93 2q3a n ASP 75 Ca 0.00 -1.97 -0.36 0.00 0.71 0.00 0.00 54.79 53.17 2q3a n ASP 75 Cb 0.00 -0.34 -0.13 0.00 -0.02 0.00 0.00 41.12 40.63 2q3a n ASP 75 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2q3a s THR 76 N -1.19 3.93 -0.12 -3.53 2.01 -0.89 -1.38 115.64 114.47 2q3a s THR 76 Ca 0.40 -0.31 -0.05 0.00 0.31 0.00 0.00 61.69 62.04 2q3a s THR 76 Cb 0.22 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.87 2q3a s THR 76 CO 0.29 0.36 0.05 -0.36 -0.69 0.00 0.00 174.62 174.28 2q3a s PHE 77 N 1.56 3.31 -0.06 4.92 0.40 -0.57 -1.19 117.98 126.34 2q3a s PHE 77 Ca 0.06 0.26 0.04 0.00 -0.60 0.00 0.00 56.93 56.69 2q3a s PHE 77 Cb -0.15 -1.90 -0.02 0.00 0.51 0.00 0.00 43.02 41.46 2q3a s PHE 77 CO 0.01 0.47 -0.18 0.08 0.70 0.00 0.00 175.22 176.29 2q3a s VAL 78 N -0.62 2.67 -0.14 -0.44 1.01 0.06 -2.06 120.40 120.88 2q3a s VAL 78 Ca 0.11 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.26 2q3a s VAL 78 Cb -0.12 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.25 2q3a s VAL 78 CO 0.02 0.57 -0.21 -0.22 0.00 0.00 0.00 175.10 175.27 2q3a s LEU 79 N -0.42 2.07 -0.16 3.92 2.96 -0.09 -2.07 118.68 124.89 2q3a s LEU 79 Ca 0.05 -0.59 0.02 0.00 -0.22 0.00 0.00 54.13 53.39 2q3a s LEU 79 Cb -0.12 -1.41 0.01 0.00 0.50 0.00 0.00 46.19 45.18 2q3a s LEU 79 CO 0.02 0.07 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.02 2q3a s THR 80 N 0.85 2.13 -0.19 3.68 2.01 -0.67 -0.69 115.64 122.76 2q3a s THR 80 Ca -0.07 -0.94 -0.01 0.00 0.31 0.00 0.00 61.69 60.98 2q3a s THR 80 Cb -0.15 -1.87 -0.00 0.00 0.01 0.00 0.00 72.50 70.48 2q3a s THR 80 CO -0.02 0.54 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.11 2q3a s LEU 81 N 1.00 2.59 0.08 4.42 2.96 0.98 -2.39 118.68 128.32 2q3a s LEU 81 Ca -0.02 -0.47 -0.11 0.00 -0.22 0.00 0.00 54.13 53.32 2q3a s LEU 81 Cb -0.15 -1.62 -0.06 0.00 0.50 0.00 0.00 46.19 44.86 2q3a s LEU 81 CO -0.06 0.03 0.42 -0.13 -1.32 0.00 0.00 176.35 175.28 2q3a s ARG 82 N 1.17 3.79 -0.53 1.98 0.52 -0.97 -0.01 118.95 124.90 2q3a s ARG 82 Ca 0.02 0.22 -0.23 0.00 -0.52 0.00 0.00 55.73 55.22 2q3a s ARG 82 Cb -0.14 -3.00 0.03 0.00 0.52 0.00 0.00 34.95 32.36 2q3a s ARG 82 CO -0.04 0.56 0.64 -3.47 0.02 0.00 0.00 175.30 173.01 2q3a n ASP 83 N 0.94 -6.40 -4.76 0.23 -0.08 -1.21 -4.86 116.55 100.41 2q3a n ASP 83 Ca -0.08 -0.05 -0.41 0.00 -1.51 0.00 0.00 54.79 52.74 2q3a n ASP 83 Cb 0.52 -3.18 -0.01 0.00 2.34 0.00 0.00 41.12 40.78 2q3a n ASP 83 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 2q3a s PHE 84 N -2.19 2.84 0.16 -0.67 5.36 0.08 -4.61 117.98 118.94 2q3a s PHE 84 Ca 0.25 1.10 0.05 0.00 -0.96 0.00 0.00 56.93 57.37 2q3a s PHE 84 Cb -0.04 -3.90 -0.04 0.00 -0.34 0.00 0.00 43.02 38.69 2q3a s PHE 84 CO 0.83 -2.79 -0.11 1.03 -1.46 0.00 0.00 175.22 172.72 2q3a s ARG 85 N -1.22 1.14 0.35 10.12 0.52 -1.26 -0.33 118.95 128.26 2q3a s ARG 85 Ca 0.56 -1.49 0.11 0.00 -0.52 0.00 0.00 55.73 54.39 2q3a s ARG 85 Cb -0.44 -0.76 0.90 0.00 0.52 0.00 0.00 34.95 35.17 2q3a s ARG 85 CO 0.52 0.10 1.79 0.37 0.02 0.00 0.00 175.30 178.11 2q3a h GLN 86 N 2.72 0.58 0.00 3.54 4.15 -1.99 0.40 115.11 124.51 2q3a h GLN 86 Ca -0.37 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.02 2q3a h GLN 86 Cb 1.20 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.76 2q3a h GLN 86 CO 0.63 0.39 0.00 0.39 -1.93 0.00 0.00 178.83 178.31 2q3a n GLU 87 N -4.68 0.20 0.00 1.69 4.71 -1.26 -2.00 120.64 119.31 2q3a n GLU 87 Ca 0.23 0.15 0.09 0.00 -0.01 0.00 0.00 57.16 57.62 2q3a n GLU 87 Cb 0.66 -1.50 -0.09 0.00 -1.01 0.00 0.00 31.44 29.50 2q3a n GLU 87 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2q3a n ASN 88 N -1.24 1.08 -4.73 1.62 5.03 0.14 -4.97 115.26 112.19 2q3a n ASN 88 Ca 0.06 -1.04 -0.42 0.00 0.87 0.00 0.00 54.58 54.05 2q3a n ASN 88 Cb 0.09 0.91 -0.01 0.00 -1.02 0.00 0.00 39.78 39.74 2q3a n ASN 88 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2q3a n GLU 89 N -1.21 2.49 -2.73 3.52 1.02 -0.85 -4.81 120.64 118.08 2q3a n GLU 89 Ca 0.04 0.88 0.00 0.00 -0.02 0.00 0.00 57.16 58.07 2q3a n GLU 89 Cb 0.32 -2.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.14 2q3a n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2q3a n GLY 90 N 1.54 -0.02 3.47 0.62 0.00 -0.74 -4.36 105.19 105.70 2q3a n GLY 90 Ca 0.07 -1.36 -0.33 0.00 0.00 0.00 0.00 46.02 44.40 2q3a n GLY 90 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2q3a s TYR 91 N -3.00 2.77 -0.09 1.61 2.02 0.73 -1.54 117.35 119.85 2q3a s TYR 91 Ca 0.00 -0.23 0.04 0.00 -0.37 0.00 0.00 57.07 56.51 2q3a s TYR 91 Cb 0.00 -1.69 -0.00 0.00 -0.40 0.00 0.00 41.96 39.86 2q3a s TYR 91 CO 0.00 0.13 -0.23 0.71 -1.57 0.00 0.00 175.55 174.59 2q3a s TYR 92 N -0.51 2.57 0.28 2.71 1.51 -1.03 -0.08 117.35 122.79 2q3a s TYR 92 Ca 0.07 -0.91 -0.09 0.00 -1.01 0.00 0.00 57.07 55.13 2q3a s TYR 92 Cb -0.12 -1.70 -0.00 0.00 -0.11 0.00 0.00 41.96 40.03 2q3a s TYR 92 CO 0.02 -0.34 0.46 -0.59 -1.11 0.00 0.00 175.55 173.99 2q3a s PHE 93 N 0.21 0.61 0.29 2.71 -0.71 -0.44 -1.10 117.98 119.55 2q3a s PHE 93 Ca -0.14 -0.94 0.10 0.00 -1.04 0.00 0.00 56.93 54.90 2q3a s PHE 93 Cb -0.17 0.08 -0.05 0.00 -1.21 0.00 0.00 43.02 41.67 2q3a s PHE 93 CO 0.07 -1.03 -0.01 0.00 -1.34 0.00 0.00 175.22 172.92 2q3a s SER 95 N -3.68 0.59 0.11 0.00 0.15 -0.27 -1.99 113.70 108.61 2q3a s SER 95 Ca 0.33 -0.47 -0.23 0.00 0.70 0.00 0.00 55.95 56.28 2q3a s SER 95 Cb -0.05 0.05 0.06 0.00 -1.71 0.00 0.00 66.02 64.37 2q3a s SER 95 CO 0.20 -0.20 0.57 0.00 1.20 0.00 0.00 173.24 175.01 2q3a s ALA 96 N -1.22 -1.50 0.25 5.45 0.00 -0.79 -0.74 121.76 123.21 2q3a s ALA 96 Ca -0.10 0.54 0.10 0.00 0.00 0.00 0.00 51.96 52.49 2q3a s ALA 96 Cb -0.09 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 2q3a s ALA 96 CO -0.00 -0.67 -0.04 -0.51 0.00 0.00 0.00 175.76 174.54 2q3a s LEU 97 N -2.45 3.08 -0.37 0.00 1.43 -1.26 -1.38 118.68 117.73 2q3a s LEU 97 Ca -0.01 -0.68 0.03 0.00 -1.03 0.00 0.00 54.13 52.44 2q3a s LEU 97 Cb -0.00 -1.63 0.15 0.00 0.03 0.00 0.00 46.19 44.74 2q3a s LEU 97 CO -0.08 0.02 0.37 -0.55 0.23 0.00 0.00 176.35 176.35 2q3a s SER 98 N -3.50 1.16 -1.11 2.29 0.15 -0.57 -0.87 113.70 111.25 2q3a s SER 98 Ca 0.30 -1.52 -0.14 0.00 0.70 0.00 0.00 55.95 55.29 2q3a s SER 98 Cb -0.07 0.57 -0.03 0.00 -1.71 0.00 0.00 66.02 64.78 2q3a s SER 98 CO 0.18 -0.27 0.85 0.59 1.20 0.00 0.00 173.24 175.79 2q3a n ASN 99 N 4.31 -5.76 0.00 5.45 3.02 -1.26 -2.72 115.26 118.29 2q3a n ASN 99 Ca 0.10 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.77 2q3a n ASN 99 Cb 0.45 -4.15 0.00 0.00 -0.61 0.00 0.00 39.78 35.47 2q3a n ASN 99 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2q3a n SER 100 N -2.91 0.00 -4.71 6.41 7.64 -1.26 -4.99 113.62 113.80 2q3a n SER 100 Ca -0.09 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.38 2q3a n SER 100 Cb 0.60 -0.27 -0.04 0.00 -1.01 0.00 0.00 64.21 63.50 2q3a n SER 100 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2q3a s ILE 101 N -1.56 4.94 -0.12 0.44 1.01 -1.10 -5.04 121.20 119.78 2q3a s ILE 101 Ca 0.00 1.79 -0.06 0.00 0.00 0.00 0.00 60.65 62.38 2q3a s ILE 101 Cb 0.00 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 2q3a s ILE 101 CO 0.00 0.19 0.11 -0.32 0.00 0.00 0.00 174.94 174.92 2q3a s MET 102 N 0.96 3.39 0.05 2.79 -2.45 -1.26 -1.51 119.30 121.27 2q3a s MET 102 Ca 0.45 -0.20 0.07 0.00 -1.25 0.00 0.00 55.69 54.77 2q3a s MET 102 Cb -0.19 -3.12 -0.03 0.00 1.25 0.00 0.00 34.83 32.74 2q3a s MET 102 CO 0.23 0.73 -0.21 0.71 1.05 0.00 0.00 175.02 177.54 2q3a s TYR 103 N -0.91 1.80 0.04 4.11 2.02 -0.48 -4.99 117.35 118.94 2q3a s TYR 103 Ca 0.14 -0.38 0.09 0.00 -0.37 0.00 0.00 57.07 56.55 2q3a s TYR 103 Cb -0.12 -1.06 -0.03 0.00 -0.40 0.00 0.00 41.96 40.35 2q3a s TYR 103 CO 0.03 0.10 -0.26 -0.06 -1.57 0.00 0.00 175.55 173.80 2q3a s PHE 104 N -0.83 2.25 0.75 2.71 0.08 -1.26 -1.88 117.98 119.79 2q3a s PHE 104 Ca 0.07 -0.41 -0.04 0.00 0.12 0.00 0.00 56.93 56.67 2q3a s PHE 104 Cb -0.09 -1.35 0.16 0.00 -0.57 0.00 0.00 43.02 41.17 2q3a s PHE 104 CO 0.02 0.12 1.02 -1.13 -0.10 0.00 0.00 175.22 175.15 2q3a n SER 105 N 1.81 1.00 -4.81 1.36 3.41 -0.84 -4.72 113.62 110.83 2q3a n SER 105 Ca -0.17 -1.93 -0.31 0.00 -0.26 0.00 0.00 58.87 56.21 2q3a n SER 105 Cb 0.52 -0.70 0.07 0.00 -0.26 0.00 0.00 64.21 63.85 2q3a n SER 105 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2q3a s HIS 106 N -3.12 2.94 0.44 7.33 3.76 -1.26 -4.76 115.29 120.62 2q3a s HIS 106 Ca 0.65 1.31 -0.21 0.00 -0.15 0.00 0.00 55.06 56.66 2q3a s HIS 106 Cb -0.03 -3.00 -0.10 0.00 1.11 0.00 0.00 32.58 30.55 2q3a s HIS 106 CO 0.44 -1.53 0.97 -0.06 -0.85 0.00 0.00 174.74 173.70 2q3a s PHE 107 N -3.08 3.25 -0.34 1.40 0.08 -1.26 -4.66 117.98 113.37 2q3a s PHE 107 Ca 0.60 1.60 -0.06 0.00 0.12 0.00 0.00 56.93 59.19 2q3a s PHE 107 Cb -0.14 -2.89 0.04 0.00 -0.57 0.00 0.00 43.02 39.45 2q3a s PHE 107 CO 0.55 -0.25 0.10 0.08 -0.10 0.00 0.00 175.22 175.60 2q3a s VAL 108 N -2.14 3.76 0.20 -0.44 1.01 -0.26 -4.95 120.40 117.58 2q3a s VAL 108 Ca 0.63 -1.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 2q3a s VAL 108 Cb -0.10 -3.13 -0.09 0.00 0.00 0.00 0.00 36.38 33.06 2q3a s VAL 108 CO 0.14 -0.17 1.34 -2.84 0.00 0.00 0.00 175.10 173.57 2q3a s PRO 109 N 1.40 4.36 -0.38 2.72 0.02 -1.26 -2.47 135.00 139.38 2q3a s PRO 109 Ca -0.02 2.09 0.01 0.00 0.02 0.00 0.00 61.00 63.10 2q3a s PRO 109 Cb -0.19 -3.19 0.13 0.00 0.02 0.00 0.00 34.50 31.26 2q3a s PRO 109 CO 0.03 -0.30 0.20 0.08 -0.33 0.00 0.00 177.00 176.68 2q3a s VAL 110 N 0.20 0.92 0.28 3.83 1.01 -0.59 -4.89 120.40 121.17 2q3a s VAL 110 Ca 0.58 -2.02 0.03 0.00 0.00 0.00 0.00 61.98 60.56 2q3a s VAL 110 Cb -0.37 -1.66 -0.06 0.00 0.00 0.00 0.00 36.38 34.29 2q3a s VAL 110 CO 0.38 -0.86 0.06 -0.36 0.00 0.00 0.00 175.10 174.32 2q3a s PHE 111 N 0.88 1.69 0.49 5.22 0.08 -1.26 -1.79 117.98 123.29 2q3a s PHE 111 Ca 0.16 -1.06 -0.02 0.00 0.12 0.00 0.00 56.93 56.13 2q3a s PHE 111 Cb -0.22 -1.03 -0.00 0.00 -0.57 0.00 0.00 43.02 41.19 2q3a s PHE 111 CO -0.06 -0.16 0.74 -0.51 -0.10 0.00 0.00 175.22 175.13 2q3a s LEU 112 N -3.37 3.52 0.41 -0.37 1.43 -1.26 -1.58 118.68 117.47 2q3a s LEU 112 Ca 0.36 0.44 -0.26 0.00 -1.03 0.00 0.00 54.13 53.64 2q3a s LEU 112 Cb 0.08 -3.31 -0.10 0.00 0.03 0.00 0.00 46.19 42.89 2q3a s LEU 112 CO 0.13 -0.80 1.34 -2.65 0.23 0.00 0.00 176.35 174.60 2q3a n PRO 113 N -2.24 2.13 0.00 1.29 -0.02 -1.26 -4.86 135.00 130.04 2q3a n PRO 113 Ca 0.02 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2q3a n PRO 113 Cb 0.58 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2q3a n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48