#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 2.85 -4.05 1.20 1.13 -1.26 -4.94 117.38 112.31 2q3a n GLN 2 Ca 0.00 -2.10 -0.10 0.00 -1.94 0.00 0.00 57.00 52.86 2q3a n GLN 2 Cb 0.00 -1.92 -0.06 0.00 0.11 0.00 0.00 30.24 28.36 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 -2.22 0.59 -0.13 1.08 0.40 -1.26 -0.42 117.98 116.03 2q3a s PHE 3 Ca 0.38 -0.92 -0.03 0.00 -0.60 0.00 0.00 56.93 55.76 2q3a s PHE 3 Cb 0.30 0.01 0.05 0.00 0.51 0.00 0.00 43.02 43.89 2q3a s PHE 3 CO 0.09 -0.94 0.06 1.03 0.70 0.00 0.00 175.22 176.16 2q3a s ARG 4 N -3.94 0.24 0.26 0.44 0.52 -0.77 -4.85 118.95 110.84 2q3a s ARG 4 Ca 0.27 -0.03 0.08 0.00 -0.52 0.00 0.00 55.73 55.53 2q3a s ARG 4 Cb 0.01 -1.48 -0.04 0.00 0.52 0.00 0.00 34.95 33.96 2q3a s ARG 4 CO 0.11 -0.54 0.08 0.14 0.02 0.00 0.00 175.30 175.11 2q3a s VAL 5 N 2.06 3.87 0.00 3.52 -7.23 -1.26 -0.74 120.40 120.62 2q3a s VAL 5 Ca 0.02 -1.69 -0.29 0.00 -1.81 0.00 0.00 61.98 58.21 2q3a s VAL 5 Cb -0.15 -3.07 0.10 0.00 0.56 0.00 0.00 36.38 33.82 2q3a s VAL 5 CO -0.07 -0.36 1.09 -0.94 -0.31 0.00 0.00 175.10 174.51 2q3a s SER 6 N -3.72 -0.17 0.01 4.85 1.04 -0.70 -4.72 113.70 110.28 2q3a s SER 6 Ca 0.32 -0.16 -0.22 0.00 0.48 0.00 0.00 55.95 56.37 2q3a s SER 6 Cb -0.07 0.30 -0.05 0.00 0.10 0.00 0.00 66.02 66.30 2q3a s SER 6 CO 0.22 -0.53 0.67 -2.16 0.98 0.00 0.00 173.24 172.41 2q3a s PRO 7 N -2.83 4.40 0.37 4.02 0.04 -1.26 -0.98 135.00 138.76 2q3a s PRO 7 Ca 0.11 0.87 0.07 0.00 0.04 0.00 0.00 61.00 62.09 2q3a s PRO 7 Cb 0.01 -3.36 -0.00 0.00 0.04 0.00 0.00 34.50 31.18 2q3a s PRO 7 CO -0.03 0.31 0.48 -0.51 0.04 0.00 0.00 177.00 177.29 2q3a s LEU 8 N -0.07 3.78 -1.05 -3.56 1.43 -1.26 -4.67 118.68 113.28 2q3a s LEU 8 Ca 0.34 -0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 53.04 2q3a s LEU 8 Cb -0.19 -2.61 0.01 0.00 0.03 0.00 0.00 46.19 43.42 2q3a s LEU 8 CO 0.19 -0.56 0.91 0.61 0.23 0.00 0.00 176.35 177.73 2q3a n GLY 9 N -1.68 -0.22 3.74 -3.19 0.00 -1.26 -5.02 105.19 97.55 2q3a n GLY 9 Ca 0.03 0.05 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 -5.89 1.67 0.42 1.61 1.70 -1.26 -5.18 118.95 112.02 2q3a s ARG 10 Ca 0.40 -1.09 0.04 0.00 -0.47 0.00 0.00 55.73 54.60 2q3a s ARG 10 Cb -0.17 0.55 -0.04 0.00 -0.57 0.00 0.00 34.95 34.71 2q3a s ARG 10 CO 0.57 -0.74 0.04 0.95 -1.08 0.00 0.00 175.30 175.05 2q3a s THR 11 N -3.96 1.26 0.03 4.99 -4.23 -1.26 -4.66 115.64 107.80 2q3a s THR 11 Ca 0.16 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.69 2q3a s THR 11 Cb -0.04 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 71.24 2q3a s THR 11 CO 0.07 0.00 -0.08 0.26 -0.54 0.00 0.00 174.62 174.33 2q3a s TRP 12 N -3.00 0.71 0.45 3.99 0.51 -0.51 -4.96 118.94 116.14 2q3a s TRP 12 Ca 0.24 -0.35 0.01 0.00 -2.12 0.00 0.00 56.10 53.87 2q3a s TRP 12 Cb 0.05 -0.43 -0.00 0.00 -0.81 0.00 0.00 33.47 32.28 2q3a s TRP 12 CO 0.12 -0.04 0.67 -0.80 -0.51 0.00 0.00 176.95 176.39 2q3a s ASN 13 N -1.09 5.79 0.29 2.95 0.01 -1.26 -3.80 114.94 117.84 2q3a s ASN 13 Ca -0.04 0.23 -0.30 0.00 -0.71 0.00 0.00 52.86 52.04 2q3a s ASN 13 Cb -0.07 -1.45 -0.11 0.00 0.41 0.00 0.00 41.25 40.02 2q3a s ASN 13 CO 0.00 -0.72 1.54 -0.76 -1.51 0.00 0.00 177.10 175.65 2q3a s LEU 14 N -4.55 4.35 0.00 0.60 1.43 -1.26 -2.05 118.68 117.20 2q3a s LEU 14 Ca 0.49 2.89 0.00 0.00 -1.03 0.00 0.00 54.13 56.48 2q3a s LEU 14 Cb -0.10 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.48 2q3a s LEU 14 CO 0.37 -0.85 0.00 0.61 0.23 0.00 0.00 176.35 176.72 2q3a n GLY 15 N 1.96 0.80 3.90 -3.19 0.00 0.29 -4.88 105.19 104.08 2q3a n GLY 15 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 2q3a n GLY 15 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2q3a s GLU 16 N -0.04 3.66 -0.07 1.61 2.12 -0.87 -4.22 118.70 120.89 2q3a s GLU 16 Ca 0.00 0.03 -0.24 0.00 0.36 0.00 0.00 54.97 55.12 2q3a s GLU 16 Cb 0.00 -2.67 -0.04 0.00 0.26 0.00 0.00 34.13 31.68 2q3a s GLU 16 CO 0.00 0.26 0.72 0.99 -0.54 0.00 0.00 175.26 176.69 2q3a s THR 17 N -1.99 5.03 -0.21 -1.70 2.01 -1.26 -1.05 115.64 116.46 2q3a s THR 17 Ca 0.44 1.48 -0.09 0.00 0.31 0.00 0.00 61.69 63.83 2q3a s THR 17 Cb -0.11 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 2q3a s THR 17 CO 0.28 0.24 0.10 -0.69 -0.69 0.00 0.00 174.62 173.86 2q3a s VAL 18 N 0.87 4.95 -0.25 3.82 1.01 0.60 -4.93 120.40 126.48 2q3a s VAL 18 Ca 0.38 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.41 2q3a s VAL 18 Cb -0.18 -3.27 0.06 0.00 0.00 0.00 0.00 36.38 32.99 2q3a s VAL 18 CO 0.18 0.41 -0.07 -0.70 0.00 0.00 0.00 175.10 174.92 2q3a s GLU 19 N 0.75 1.86 0.33 2.72 2.12 -1.26 -0.32 118.70 124.90 2q3a s GLU 19 Ca 0.05 -1.16 0.08 0.00 0.36 0.00 0.00 54.97 54.30 2q3a s GLU 19 Cb -0.13 -2.72 -0.04 0.00 0.26 0.00 0.00 34.13 31.50 2q3a s GLU 19 CO 0.02 -0.60 0.20 -0.51 -0.54 0.00 0.00 175.26 173.83 2q3a s LEU 20 N 1.26 3.41 -0.13 2.70 1.43 -0.67 -4.49 118.68 122.21 2q3a s LEU 20 Ca -0.07 -0.64 -0.09 0.00 -1.03 0.00 0.00 54.13 52.31 2q3a s LEU 20 Cb -0.19 -1.94 0.04 0.00 0.03 0.00 0.00 46.19 44.12 2q3a s LEU 20 CO -0.06 -0.30 0.32 -0.54 0.23 0.00 0.00 176.35 176.00 2q3a s LYS 21 N -3.90 0.33 -0.09 1.70 1.02 -0.15 -1.99 119.74 116.67 2q3a s LYS 21 Ca 0.38 0.54 0.01 0.00 0.02 0.00 0.00 55.97 56.92 2q3a s LYS 21 Cb -0.04 0.05 0.02 0.00 -0.52 0.00 0.00 37.83 37.34 2q3a s LYS 21 CO 0.24 -0.10 -0.08 0.00 -0.92 0.00 0.00 175.35 174.49 2q3a s GLN 23 N 1.30 4.15 -0.09 0.00 0.74 0.08 -1.44 119.66 124.39 2q3a s GLN 23 Ca -0.03 0.11 -0.25 0.00 0.05 0.00 0.00 55.36 55.24 2q3a s GLN 23 Cb -0.14 -3.54 -0.03 0.00 1.10 0.00 0.00 33.01 30.40 2q3a s GLN 23 CO -0.03 -0.03 0.78 0.08 -0.55 0.00 0.00 175.29 175.54 2q3a s VAL 24 N 1.30 4.97 -1.10 1.34 1.01 -0.07 -1.84 120.40 126.00 2q3a s VAL 24 Ca 0.17 1.58 0.10 0.00 0.00 0.00 0.00 61.98 63.83 2q3a s VAL 24 Cb -0.15 -4.11 0.16 0.00 0.00 0.00 0.00 36.38 32.29 2q3a s VAL 24 CO 0.07 0.16 0.99 0.18 0.00 0.00 0.00 175.10 176.51 2q3a n LEU 25 N 4.31 2.27 -4.77 3.92 4.77 0.44 -4.90 117.00 123.05 2q3a n LEU 25 Ca 0.02 -1.42 -0.41 0.00 -0.03 0.00 0.00 56.01 54.17 2q3a n LEU 25 Cb 0.50 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 2q3a n LEU 25 CO 0.48 0.51 1.06 -0.76 -1.33 0.00 0.00 177.39 177.34 2q3a s LEU 26 N -0.91 4.39 -0.05 2.23 1.43 -1.24 -4.98 118.68 119.54 2q3a s LEU 26 Ca 0.16 2.79 -0.16 0.00 -1.03 0.00 0.00 54.13 55.89 2q3a s LEU 26 Cb 0.10 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 2q3a s LEU 26 CO 0.13 -0.68 0.43 -0.44 0.23 0.00 0.00 176.35 176.02 2q3a s SER 27 N -0.17 6.74 -1.04 2.29 0.01 -1.26 -4.12 113.70 116.15 2q3a s SER 27 Ca 0.53 0.87 -0.04 0.00 1.31 0.00 0.00 55.95 58.62 2q3a s SER 27 Cb -0.42 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2q3a s SER 27 CO 0.53 0.19 0.89 0.59 0.41 0.00 0.00 173.24 175.86 2q3a n ASN 28 N 2.64 -3.95 -4.70 2.44 3.02 -1.26 -4.92 115.26 108.53 2q3a n ASN 28 Ca -0.11 -0.47 -0.42 0.00 -0.03 0.00 0.00 54.58 53.55 2q3a n ASN 28 Cb 0.52 -4.22 -0.03 0.00 -0.61 0.00 0.00 39.78 35.44 2q3a n ASN 28 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2q3a s PRO 29 N -5.63 4.19 -0.52 3.52 0.04 -1.26 -4.63 135.00 130.71 2q3a s PRO 29 Ca 0.26 2.40 0.02 0.00 0.04 0.00 0.00 61.00 63.71 2q3a s PRO 29 Cb -0.11 -3.42 0.44 0.00 0.04 0.00 0.00 34.50 31.45 2q3a s PRO 29 CO 0.59 -0.71 1.65 0.25 0.04 0.00 0.00 177.00 178.83 2q3a n THR 30 N 4.43 3.13 0.00 1.26 -2.24 0.21 -4.96 114.28 116.11 2q3a n THR 30 Ca 0.15 -3.67 0.00 0.00 -2.27 0.00 0.00 64.05 58.27 2q3a n THR 30 Cb 0.39 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 2q3a n THR 30 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2q3a n SER 31 N -0.78 0.00 0.00 3.42 3.41 -1.25 -4.82 113.62 113.60 2q3a n SER 31 Ca 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 2q3a n SER 31 Cb 0.75 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 2q3a n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2q3a n GLY 32 N -0.12 -1.91 2.82 5.00 0.00 -1.26 -4.71 105.19 105.00 2q3a n GLY 32 Ca 0.00 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 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 0.63 4.89 -0.17 0.00 0.01 -0.40 -0.37 113.70 118.30 2q3a s SER 34 Ca -0.05 -0.15 -0.20 0.00 1.31 0.00 0.00 55.95 56.85 2q3a s SER 34 Cb -0.08 -1.82 -0.03 0.00 0.21 0.00 0.00 66.02 64.30 2q3a s SER 34 CO -0.02 0.11 0.60 0.26 0.41 0.00 0.00 173.24 174.60 2q3a s TRP 35 N 0.73 3.41 0.43 2.43 0.52 0.31 -1.08 118.94 125.70 2q3a s TRP 35 Ca -0.00 0.94 0.07 0.00 0.02 0.00 0.00 56.10 57.12 2q3a s TRP 35 Cb -0.14 -2.75 -0.05 0.00 -1.15 0.00 0.00 33.47 29.37 2q3a s TRP 35 CO 0.02 -0.09 0.12 -0.51 0.02 0.00 0.00 176.95 176.51 2q3a s LEU 36 N 1.59 2.94 -0.17 2.99 1.43 0.18 -0.75 118.68 126.89 2q3a s LEU 36 Ca 0.29 -1.24 -0.07 0.00 -1.03 0.00 0.00 54.13 52.08 2q3a s LEU 36 Cb -0.16 -1.18 0.08 0.00 0.03 0.00 0.00 46.19 44.96 2q3a s LEU 36 CO 0.11 -0.57 0.37 0.12 0.23 0.00 0.00 176.35 176.61 2q3a s PHE 37 N -2.67 -0.65 -0.27 0.29 5.36 0.10 -2.43 117.98 117.71 2q3a s PHE 37 Ca 0.36 1.32 -0.06 0.00 -0.96 0.00 0.00 56.93 57.58 2q3a s PHE 37 Cb 0.05 0.20 -0.00 0.00 -0.34 0.00 0.00 43.02 42.93 2q3a s PHE 37 CO 0.19 -0.42 0.05 -1.14 -1.46 0.00 0.00 175.22 172.44 2q3a s GLN 38 N 2.35 3.26 1.07 10.12 0.74 0.56 -0.17 119.66 137.58 2q3a s GLN 38 Ca -0.02 -0.73 -0.14 0.00 0.05 0.00 0.00 55.36 54.51 2q3a s GLN 38 Cb -0.11 -3.27 0.22 0.00 1.10 0.00 0.00 33.01 30.95 2q3a s GLN 38 CO -0.11 -0.34 1.09 -1.25 -0.55 0.00 0.00 175.29 174.13 2q3a s PRO 39 N 1.51 -0.15 1.03 1.67 0.04 -1.26 -0.44 135.00 137.40 2q3a s PRO 39 Ca 0.04 0.35 -0.12 0.00 0.04 0.00 0.00 61.00 61.30 2q3a s PRO 39 Cb -0.16 -1.68 0.21 0.00 0.04 0.00 0.00 34.50 32.90 2q3a s PRO 39 CO 0.01 -3.09 1.07 1.03 0.04 0.00 0.00 177.00 176.07 2q3a s ARG 40 N -5.06 0.15 0.00 4.56 0.52 -1.24 -4.70 118.95 113.18 2q3a s ARG 40 Ca 0.67 0.78 0.00 0.00 -0.52 0.00 0.00 55.73 56.66 2q3a s ARG 40 Cb -0.17 -1.68 0.00 0.00 0.52 0.00 0.00 34.95 33.62 2q3a s ARG 40 CO 0.57 -2.99 0.00 0.41 0.02 0.00 0.00 175.30 173.31 2q3a n GLY 41 N -0.31 2.32 3.77 -3.53 0.00 -1.26 -4.80 105.19 101.39 2q3a n GLY 41 Ca 0.05 -1.97 -0.39 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.66 4.31 -1.41 2.61 2.01 -1.26 -3.88 115.64 115.36 2q3a s THR 42 Ca 0.00 1.77 -0.09 0.00 0.31 0.00 0.00 61.69 63.68 2q3a s THR 42 Cb 0.00 -4.16 0.04 0.00 0.01 0.00 0.00 72.50 68.39 2q3a s THR 42 CO 0.00 0.49 1.01 0.00 -0.69 0.00 0.00 174.62 175.43 2q3a n ALA 43 N 1.50 -1.49 -2.44 7.40 0.00 -1.26 -4.94 120.51 119.29 2q3a n ALA 43 Ca -0.05 0.18 -0.41 0.00 0.00 0.00 0.00 53.44 53.16 2q3a n ALA 43 Cb 0.48 -4.22 -0.04 0.00 0.00 0.00 0.00 19.45 15.68 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 -3.37 3.22 0.06 0.00 0.00 -1.25 -5.02 121.76 115.40 2q3a s ALA 44 Ca 0.47 0.58 -0.18 0.00 0.00 0.00 0.00 51.96 52.83 2q3a s ALA 44 Cb -0.22 -3.31 -0.06 0.00 0.00 0.00 0.00 23.12 19.52 2q3a s ALA 44 CO 0.78 -0.13 0.53 1.03 0.00 0.00 0.00 175.76 177.98 2q3a s ARG 45 N 0.42 4.13 0.58 0.00 0.52 -1.26 -4.88 118.95 118.46 2q3a s ARG 45 Ca 0.49 0.65 -0.19 0.00 -0.52 0.00 0.00 55.73 56.17 2q3a s ARG 45 Cb -0.23 -3.21 -0.05 0.00 0.52 0.00 0.00 34.95 31.98 2q3a s ARG 45 CO 0.29 0.64 0.98 -2.30 0.02 0.00 0.00 175.30 174.93 2q3a n PRO 46 N 1.67 0.97 -4.67 3.54 -0.02 -1.26 -4.53 135.00 130.70 2q3a n PRO 46 Ca -0.11 0.37 -0.23 0.00 -2.02 0.00 0.00 63.50 61.51 2q3a n PRO 46 Cb 0.51 -2.17 -0.15 0.00 -0.02 0.00 0.00 33.50 31.68 2q3a n PRO 46 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2q3a s THR 47 N -1.48 1.32 -0.04 3.45 2.01 0.76 -4.96 115.64 116.70 2q3a s THR 47 Ca 0.74 -0.84 -0.16 0.00 0.31 0.00 0.00 61.69 61.74 2q3a s THR 47 Cb -0.43 -1.12 -0.05 0.00 0.01 0.00 0.00 72.50 70.90 2q3a s THR 47 CO 0.48 0.27 0.44 0.12 -0.69 0.00 0.00 174.62 175.24 2q3a s PHE 48 N -0.54 3.65 -0.01 4.92 5.36 -1.26 0.03 117.98 130.12 2q3a s PHE 48 Ca 0.06 0.96 -0.03 0.00 -0.96 0.00 0.00 56.93 56.95 2q3a s PHE 48 Cb -0.07 -2.40 -0.01 0.00 -0.34 0.00 0.00 43.02 40.20 2q3a s PHE 48 CO 0.00 0.46 -0.06 1.28 -1.46 0.00 0.00 175.22 175.44 2q3a n LEU 49 N 2.54 0.57 -4.04 6.12 4.77 0.07 -4.63 117.00 122.40 2q3a n LEU 49 Ca -0.11 0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 55.86 2q3a n LEU 49 Cb 0.52 -0.33 -0.11 0.00 -2.33 0.00 0.00 43.42 41.17 2q3a n LEU 49 CO 0.40 -0.52 -0.37 -0.76 -1.33 0.00 0.00 177.39 174.81 2q3a s LEU 50 N -5.93 2.32 -0.24 2.23 1.43 -1.11 -1.51 118.68 115.88 2q3a s LEU 50 Ca -0.05 -0.65 0.02 0.00 -1.03 0.00 0.00 54.13 52.42 2q3a s LEU 50 Cb 0.01 0.03 0.04 0.00 0.03 0.00 0.00 46.19 46.30 2q3a s LEU 50 CO 0.07 -0.34 -0.13 -0.47 0.23 0.00 0.00 176.35 175.71 2q3a s TYR 51 N -2.10 3.10 0.06 0.29 5.04 0.21 -0.53 117.35 123.42 2q3a s TYR 51 Ca -0.07 -2.04 0.02 0.00 -2.44 0.00 0.00 57.07 52.54 2q3a s TYR 51 Cb -0.05 -1.94 -0.04 0.00 0.35 0.00 0.00 41.96 40.27 2q3a s TYR 51 CO -0.03 -0.84 0.09 -0.51 -1.34 0.00 0.00 175.55 172.92 2q3a s LEU 52 N 1.18 3.87 0.00 6.97 1.43 0.50 -1.12 118.68 131.51 2q3a s LEU 52 Ca -0.04 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 2q3a s LEU 52 Cb -0.18 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.56 2q3a s LEU 52 CO -0.07 0.19 0.00 -1.54 0.23 0.00 0.00 176.35 175.16 2q3a n SER 53 N 0.59 0.00 0.09 2.29 3.41 -1.26 -1.18 113.62 117.56 2q3a n SER 53 Ca -0.09 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.37 2q3a n SER 53 Cb 0.52 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 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 0.33 0.00 4.33 4.20 -1.97 -3.43 115.11 118.57 2q3a h GLN 54 Ca 0.00 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 58.24 2q3a h GLN 54 Cb 0.00 0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2q3a h GLN 54 CO 0.00 1.19 0.00 0.09 -0.67 0.00 0.00 178.83 179.44 2q3a n ASN 55 N -3.61 0.00 -3.97 1.46 4.13 -1.26 -5.02 115.26 106.99 2q3a n ASN 55 Ca -0.08 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.10 2q3a n ASN 55 Cb 0.96 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 39.11 2q3a n ASN 55 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 2q3a s LYS 56 N 0.00 0.71 -0.12 3.52 -2.85 -1.26 -5.11 119.74 114.63 2q3a s LYS 56 Ca 0.00 -1.07 -0.30 0.00 -1.00 0.00 0.00 55.97 53.61 2q3a s LYS 56 Cb 0.00 0.27 -0.02 0.00 -2.06 0.00 0.00 37.83 36.02 2q3a s LYS 56 CO 0.00 -0.18 1.21 -2.14 0.10 0.00 0.00 175.35 174.33 2q3a s PRO 57 N -3.78 4.29 -0.33 1.78 0.02 -1.26 -4.54 135.00 131.18 2q3a s PRO 57 Ca 0.05 1.63 -0.07 0.00 0.02 0.00 0.00 61.00 62.63 2q3a s PRO 57 Cb 0.06 -3.66 0.03 0.00 0.02 0.00 0.00 34.50 30.95 2q3a s PRO 57 CO -0.10 -0.57 0.11 0.21 -0.33 0.00 0.00 177.00 176.31 2q3a s LYS 58 N 2.85 2.73 0.32 5.54 2.47 -0.28 -4.92 119.74 128.45 2q3a s LYS 58 Ca 0.54 -1.11 0.04 0.00 -1.56 0.00 0.00 55.97 53.88 2q3a s LYS 58 Cb -0.22 -3.46 -0.02 0.00 -1.46 0.00 0.00 37.83 32.67 2q3a s LYS 58 CO 0.17 -0.62 0.47 0.00 0.16 0.00 0.00 175.35 175.53 2q3a s ALA 59 N 1.43 3.94 0.79 3.13 0.00 -1.26 0.64 121.76 130.43 2q3a s ALA 59 Ca -0.01 -1.20 -0.11 0.00 0.00 0.00 0.00 51.96 50.65 2q3a s ALA 59 Cb -0.19 -1.85 0.06 0.00 0.00 0.00 0.00 23.12 21.14 2q3a s ALA 59 CO 0.03 0.02 1.09 0.00 0.00 0.00 0.00 175.76 176.91 2q3a s ALA 60 N -2.18 2.18 0.12 0.00 0.00 -0.57 -4.96 121.76 116.35 2q3a s ALA 60 Ca 0.40 0.23 -0.31 0.00 0.00 0.00 0.00 51.96 52.29 2q3a s ALA 60 Cb -0.09 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 19.68 2q3a s ALA 60 CO 0.32 -1.83 1.35 -1.21 0.00 0.00 0.00 175.76 174.39 2q3a s GLU 61 N -4.91 4.35 0.00 0.00 8.01 -1.26 -2.27 118.70 122.62 2q3a s GLU 61 Ca 0.61 2.03 0.00 0.00 0.01 0.00 0.00 54.97 57.62 2q3a s GLU 61 Cb -0.17 -3.25 0.00 0.00 -4.31 0.00 0.00 34.13 26.40 2q3a s GLU 61 CO 0.56 -0.38 0.00 0.41 0.01 0.00 0.00 175.26 175.86 2q3a n GLY 62 N 3.26 0.72 3.60 -1.39 0.00 -1.26 -5.00 105.19 105.12 2q3a n GLY 62 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 3.93 -0.82 0.99 2.96 -0.96 -4.91 118.68 119.86 2q3a s LEU 63 Ca 0.00 0.52 -0.21 0.00 -0.22 0.00 0.00 54.13 54.22 2q3a s LEU 63 Cb 0.00 -3.33 -0.18 0.00 0.50 0.00 0.00 46.19 43.18 2q3a s LEU 63 CO 0.00 -0.97 1.95 -0.67 -1.32 0.00 0.00 176.35 175.34 2q3a n ASP 64 N 7.05 0.60 0.00 3.68 -0.08 -1.26 -4.67 116.55 121.86 2q3a n ASP 64 Ca 0.08 -2.03 0.04 0.00 -1.51 0.00 0.00 54.79 51.37 2q3a n ASP 64 Cb 0.48 -1.44 0.18 0.00 2.34 0.00 0.00 41.12 42.68 2q3a n ASP 64 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2q3a n THR 65 N 7.99 1.02 0.24 5.18 -2.24 -1.26 -0.36 114.28 124.85 2q3a n THR 65 Ca 0.35 0.25 0.12 0.00 -2.27 0.00 0.00 64.05 62.51 2q3a n THR 65 Cb 0.45 -1.13 0.15 0.00 -2.10 0.00 0.00 70.33 67.70 2q3a n THR 65 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2q3a h GLN 66 N 0.00 0.00 0.00 -0.78 5.75 -2.01 -3.36 115.11 114.70 2q3a h GLN 66 Ca 0.00 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.31 2q3a h GLN 66 Cb 0.09 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 2q3a h GLN 66 CO 0.00 0.00 -1.70 0.54 -2.65 0.00 0.00 178.83 175.02 2q3a n ARG 67 N -2.88 0.30 -3.35 1.69 1.74 0.16 -4.89 116.66 109.43 2q3a n ARG 67 Ca 0.03 0.08 -0.38 0.00 -0.77 0.00 0.00 57.85 56.82 2q3a n ARG 67 Cb 0.52 -1.18 -0.06 0.00 -1.02 0.00 0.00 32.46 30.73 2q3a n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2q3a s PHE 68 N -2.24 3.53 0.11 -1.55 0.40 0.51 -0.89 117.98 117.85 2q3a s PHE 68 Ca -0.17 0.87 -0.19 0.00 -0.60 0.00 0.00 56.93 56.85 2q3a s PHE 68 Cb 0.05 -2.51 0.05 0.00 0.51 0.00 0.00 43.02 41.11 2q3a s PHE 68 CO 0.27 0.21 0.47 -1.54 0.70 0.00 0.00 175.22 175.33 2q3a s SER 69 N 0.47 -0.35 0.09 1.36 1.04 -0.40 -4.28 113.70 111.64 2q3a s SER 69 Ca 0.25 -0.14 -0.09 0.00 0.48 0.00 0.00 55.95 56.45 2q3a s SER 69 Cb -0.15 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2q3a s SER 69 CO 0.10 -0.84 0.21 -0.83 0.98 0.00 0.00 173.24 172.86 2q3a s GLY 70 N -2.58 0.07 0.04 7.32 0.00 -1.26 0.27 107.32 111.18 2q3a s GLY 70 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 44.72 44.15 2q3a s GLY 70 CO -0.10 -0.76 -0.05 0.54 0.00 0.00 0.00 173.10 172.73 2q3a s LYS 71 N -3.86 0.49 -0.35 2.90 1.02 -0.19 -4.95 119.74 114.80 2q3a s LYS 71 Ca 0.05 -0.82 0.01 0.00 0.02 0.00 0.00 55.97 55.22 2q3a s LYS 71 Cb 0.05 -0.06 0.09 0.00 -0.52 0.00 0.00 37.83 37.38 2q3a s LYS 71 CO -0.11 -0.02 0.07 0.50 -0.92 0.00 0.00 175.35 174.88 2q3a s ARG 72 N -2.09 1.90 -0.80 1.68 3.52 -1.26 -0.50 118.95 121.40 2q3a s ARG 72 Ca -0.08 -1.69 -0.06 0.00 -0.13 0.00 0.00 55.73 53.77 2q3a s ARG 72 Cb -0.06 -3.29 0.20 0.00 -1.56 0.00 0.00 34.95 30.25 2q3a s ARG 72 CO -0.02 -0.88 0.68 -0.51 -0.81 0.00 0.00 175.30 173.75 2q3a s LEU 73 N 1.06 5.82 0.00 -0.88 1.43 -0.16 -4.98 118.68 120.97 2q3a s LEU 73 Ca 0.05 -3.12 0.00 0.00 -1.03 0.00 0.00 54.13 50.03 2q3a s LEU 73 Cb -0.20 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.02 2q3a s LEU 73 CO -0.05 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 176.77 2q3a n GLY 74 N 3.22 2.35 1.16 -3.19 0.00 -1.26 -2.41 105.19 105.07 2q3a n GLY 74 Ca 0.15 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.03 2q3a n GLY 74 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2q3a n ASP 75 N 9.52 3.63 -4.19 1.61 5.75 -1.26 -4.90 116.55 126.72 2q3a n ASP 75 Ca 0.00 -1.98 -0.33 0.00 -0.01 0.00 0.00 54.79 52.47 2q3a n ASP 75 Cb 0.00 -0.38 -0.16 0.00 -1.03 0.00 0.00 41.12 39.55 2q3a n ASP 75 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2q3a s THR 76 N -1.10 2.29 -0.17 2.12 2.01 -1.01 -0.89 115.64 118.89 2q3a s THR 76 Ca 0.41 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 61.47 2q3a s THR 76 Cb 0.22 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 2q3a s THR 76 CO 0.29 0.53 0.03 -0.36 -0.69 0.00 0.00 174.62 174.42 2q3a s PHE 77 N 1.02 3.18 -0.12 4.92 0.40 -0.52 -0.99 117.98 125.87 2q3a s PHE 77 Ca -0.02 -0.05 -0.03 0.00 -0.60 0.00 0.00 56.93 56.23 2q3a s PHE 77 Cb -0.15 -2.04 -0.03 0.00 0.51 0.00 0.00 43.02 41.31 2q3a s PHE 77 CO -0.05 0.09 -0.01 0.08 0.70 0.00 0.00 175.22 176.03 2q3a s VAL 78 N 0.38 4.21 -0.12 -0.44 1.01 0.34 -1.92 120.40 123.85 2q3a s VAL 78 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.72 2q3a s VAL 78 Cb -0.13 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 2q3a s VAL 78 CO 0.01 0.55 -0.12 -0.22 0.00 0.00 0.00 175.10 175.32 2q3a s LEU 79 N -0.30 2.77 -0.12 3.92 2.96 -0.84 -1.02 118.68 126.06 2q3a s LEU 79 Ca 0.06 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 2q3a s LEU 79 Cb -0.12 -1.62 0.01 0.00 0.50 0.00 0.00 46.19 44.96 2q3a s LEU 79 CO 0.02 0.19 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.17 2q3a s THR 80 N 0.19 1.77 -0.26 3.68 2.01 0.14 -1.66 115.64 121.51 2q3a s THR 80 Ca -0.07 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.14 2q3a s THR 80 Cb -0.15 -1.58 0.06 0.00 0.01 0.00 0.00 72.50 70.84 2q3a s THR 80 CO 0.05 0.49 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.18 2q3a s LEU 81 N 0.86 3.16 0.34 4.42 2.96 0.57 -1.28 118.68 129.70 2q3a s LEU 81 Ca -0.08 -1.36 -0.21 0.00 -0.22 0.00 0.00 54.13 52.26 2q3a s LEU 81 Cb -0.15 -1.39 -0.10 0.00 0.50 0.00 0.00 46.19 45.05 2q3a s LEU 81 CO -0.01 -0.23 0.86 -0.13 -1.32 0.00 0.00 176.35 175.53 2q3a s ARG 82 N 1.22 4.29 -0.96 1.98 0.52 -0.07 -0.29 118.95 125.64 2q3a s ARG 82 Ca -0.06 1.04 -0.09 0.00 -0.52 0.00 0.00 55.73 56.11 2q3a s ARG 82 Cb -0.19 -2.54 -0.02 0.00 0.52 0.00 0.00 34.95 32.71 2q3a s ARG 82 CO -0.06 0.18 0.77 -3.47 0.02 0.00 0.00 175.30 172.74 2q3a n ASP 83 N 0.02 -6.28 -4.70 0.23 2.03 -1.23 -4.84 116.55 101.78 2q3a n ASP 83 Ca 0.03 -0.67 -0.54 0.00 0.52 0.00 0.00 54.79 54.13 2q3a n ASP 83 Cb 0.52 -4.10 -0.06 0.00 -0.72 0.00 0.00 41.12 36.76 2q3a n ASP 83 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2q3a n PHE 84 N -3.06 2.11 -4.10 -0.67 7.35 -0.22 -4.53 117.46 114.35 2q3a n PHE 84 Ca -0.09 0.38 -0.23 0.00 -0.76 0.00 0.00 57.45 56.74 2q3a n PHE 84 Cb 0.58 -2.51 -0.06 0.00 0.35 0.00 0.00 39.48 37.84 2q3a n PHE 84 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2q3a s ARG 85 N 3.46 2.36 0.52 -4.13 0.52 -1.26 -0.54 118.95 119.88 2q3a s ARG 85 Ca 0.95 -1.57 0.17 0.00 -0.52 0.00 0.00 55.73 54.76 2q3a s ARG 85 Cb -0.94 -2.16 1.29 0.00 0.52 0.00 0.00 34.95 33.66 2q3a s ARG 85 CO 0.60 0.09 2.15 0.37 0.02 0.00 0.00 175.30 178.53 2q3a h GLN 86 N 1.54 0.00 0.00 3.54 4.15 -1.99 -0.17 115.11 122.18 2q3a h GLN 86 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.98 2q3a h GLN 86 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 2q3a h GLN 86 CO 0.64 0.01 0.00 1.05 -1.93 0.00 0.00 178.83 178.59 2q3a h GLU 87 N 0.00 0.00 0.00 1.69 4.11 -2.00 -2.40 114.58 115.98 2q3a h GLU 87 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2q3a h GLU 87 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2q3a h GLU 87 CO 0.00 0.00 -0.41 0.09 0.07 0.00 0.00 179.01 178.76 2q3a n ASN 88 N -2.75 0.65 -4.68 3.06 5.03 -0.08 -4.89 115.26 111.61 2q3a n ASN 88 Ca 0.00 0.22 -0.42 0.00 0.87 0.00 0.00 54.58 55.25 2q3a n ASN 88 Cb 0.23 -0.11 -0.00 0.00 -1.02 0.00 0.00 39.78 38.88 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 -2.03 1.92 -0.16 3.52 1.02 -0.91 -4.80 120.64 119.20 2q3a n GLU 89 Ca 0.04 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 57.86 2q3a n GLU 89 Cb 0.42 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 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 0.87 -0.09 2.99 0.62 0.00 -0.62 -3.64 105.19 105.32 2q3a n GLY 90 Ca 0.06 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.94 2.30 0.02 1.61 2.02 0.42 -0.08 117.35 119.71 2q3a s TYR 91 Ca 0.00 -1.47 -0.02 0.00 -0.37 0.00 0.00 57.07 55.20 2q3a s TYR 91 Cb 0.00 -1.60 -0.04 0.00 -0.40 0.00 0.00 41.96 39.92 2q3a s TYR 91 CO 0.00 -0.72 0.21 0.71 -1.57 0.00 0.00 175.55 174.18 2q3a s TYR 92 N 1.43 3.54 0.25 2.71 1.51 -0.90 -0.33 117.35 125.57 2q3a s TYR 92 Ca 0.00 0.36 -0.22 0.00 -1.01 0.00 0.00 57.07 56.20 2q3a s TYR 92 Cb -0.15 -1.83 0.04 0.00 -0.11 0.00 0.00 41.96 39.90 2q3a s TYR 92 CO -0.09 0.62 0.80 -0.59 -1.11 0.00 0.00 175.55 175.18 2q3a s PHE 93 N -1.39 -0.15 0.17 2.71 -0.71 -1.02 -0.66 117.98 116.93 2q3a s PHE 93 Ca 0.30 -0.28 0.09 0.00 -1.04 0.00 0.00 56.93 56.00 2q3a s PHE 93 Cb -0.13 0.70 -0.04 0.00 -1.21 0.00 0.00 43.02 42.34 2q3a s PHE 93 CO 0.21 -1.14 -0.12 0.00 -1.34 0.00 0.00 175.22 172.83 2q3a s SER 95 N -2.68 2.41 -0.21 0.00 0.15 -0.24 -1.14 113.70 111.99 2q3a s SER 95 Ca 0.23 -0.66 -0.27 0.00 0.70 0.00 0.00 55.95 55.95 2q3a s SER 95 Cb -0.09 -0.13 0.09 0.00 -1.71 0.00 0.00 66.02 64.17 2q3a s SER 95 CO 0.14 0.05 0.81 0.00 1.20 0.00 0.00 173.24 175.43 2q3a s ALA 96 N -1.14 -1.84 -0.03 5.45 0.00 -1.01 -1.27 121.76 121.92 2q3a s ALA 96 Ca 0.05 1.79 -0.01 0.00 0.00 0.00 0.00 51.96 53.80 2q3a s ALA 96 Cb -0.10 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 2q3a s ALA 96 CO 0.04 -0.32 0.05 -0.51 0.00 0.00 0.00 175.76 175.02 2q3a s LEU 97 N -0.15 3.78 -0.38 0.00 1.43 -1.26 -1.72 118.68 120.38 2q3a s LEU 97 Ca -0.02 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 2q3a s LEU 97 Cb -0.03 -2.12 0.13 0.00 0.03 0.00 0.00 46.19 44.20 2q3a s LEU 97 CO 0.02 0.30 0.20 -0.55 0.23 0.00 0.00 176.35 176.55 2q3a s SER 98 N -1.49 3.47 -0.63 2.29 0.15 -0.01 -0.62 113.70 116.87 2q3a s SER 98 Ca 0.20 -2.26 -0.10 0.00 0.70 0.00 0.00 55.95 54.49 2q3a s SER 98 Cb -0.12 -0.76 0.01 0.00 -1.71 0.00 0.00 66.02 63.44 2q3a s SER 98 CO 0.10 -0.31 0.65 0.59 1.20 0.00 0.00 173.24 175.47 2q3a n ASN 99 N 3.99 -6.98 0.00 5.45 3.02 -1.26 -2.69 115.26 116.78 2q3a n ASN 99 Ca 0.07 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 2q3a n ASN 99 Cb 0.37 -4.16 0.00 0.00 -0.61 0.00 0.00 39.78 35.37 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 -1.31 0.00 -4.71 6.41 7.64 -1.26 -4.94 113.62 115.45 2q3a n SER 100 Ca -0.04 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.46 2q3a n SER 100 Cb 0.55 -0.54 -0.06 0.00 -1.01 0.00 0.00 64.21 63.15 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 -0.95 5.18 -0.15 0.44 -1.09 -1.10 -5.06 121.20 118.48 2q3a s ILE 101 Ca 0.00 0.95 -0.07 0.00 -2.23 0.00 0.00 60.65 59.30 2q3a s ILE 101 Cb 0.00 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 2q3a s ILE 101 CO 0.00 0.30 0.10 -0.32 -1.23 0.00 0.00 174.94 173.79 2q3a s MET 102 N 0.82 3.66 0.02 2.79 1.75 -1.26 -0.83 119.30 126.26 2q3a s MET 102 Ca 0.25 -0.24 0.07 0.00 -1.25 0.00 0.00 55.69 54.53 2q3a s MET 102 Cb -0.15 -3.19 -0.02 0.00 2.84 0.00 0.00 34.83 34.31 2q3a s MET 102 CO 0.10 0.55 -0.22 0.71 -0.65 0.00 0.00 175.02 175.50 2q3a s TYR 103 N -0.38 1.96 -0.03 4.11 2.02 -0.70 -4.99 117.35 119.34 2q3a s TYR 103 Ca 0.10 -0.38 0.04 0.00 -0.37 0.00 0.00 57.07 56.46 2q3a s TYR 103 Cb -0.12 -1.20 -0.03 0.00 -0.40 0.00 0.00 41.96 40.22 2q3a s TYR 103 CO 0.01 0.06 -0.14 -0.06 -1.57 0.00 0.00 175.55 173.86 2q3a s PHE 104 N -0.71 2.71 0.95 2.71 0.08 -1.26 -2.41 117.98 120.06 2q3a s PHE 104 Ca 0.09 -0.15 -0.16 0.00 0.12 0.00 0.00 56.93 56.83 2q3a s PHE 104 Cb -0.09 -1.60 0.19 0.00 -0.57 0.00 0.00 43.02 40.95 2q3a s PHE 104 CO 0.01 0.23 1.31 -1.54 -0.10 0.00 0.00 175.22 175.13 2q3a s SER 105 N -0.95 3.20 0.69 1.36 1.04 -0.29 -4.72 113.70 114.02 2q3a s SER 105 Ca 0.13 0.28 -0.12 0.00 0.48 0.00 0.00 55.95 56.73 2q3a s SER 105 Cb -0.11 -0.35 0.00 0.00 0.10 0.00 0.00 66.02 65.67 2q3a s SER 105 CO 0.02 -2.68 1.06 -1.00 0.98 0.00 0.00 173.24 171.62 2q3a s HIS 106 N -3.87 3.05 0.26 5.02 3.76 -1.26 -4.75 115.29 117.51 2q3a s HIS 106 Ca 0.73 1.45 -0.30 0.00 -0.15 0.00 0.00 55.06 56.79 2q3a s HIS 106 Cb -0.04 -2.91 -0.09 0.00 1.11 0.00 0.00 32.58 30.64 2q3a s HIS 106 CO 0.53 -1.26 0.99 -0.06 -0.85 0.00 0.00 174.74 174.09 2q3a s PHE 107 N -2.94 3.85 -0.39 1.40 0.40 -1.26 -4.67 117.98 114.36 2q3a s PHE 107 Ca 0.59 1.84 -0.05 0.00 -0.60 0.00 0.00 56.93 58.72 2q3a s PHE 107 Cb -0.15 -3.08 0.08 0.00 0.51 0.00 0.00 43.02 40.39 2q3a s PHE 107 CO 0.52 0.13 0.17 0.08 0.70 0.00 0.00 175.22 176.82 2q3a s VAL 108 N -1.19 3.55 0.10 -0.44 1.01 0.16 -4.96 120.40 118.63 2q3a s VAL 108 Ca 0.42 -1.66 -0.31 0.00 0.00 0.00 0.00 61.98 60.44 2q3a s VAL 108 Cb -0.28 -3.24 -0.08 0.00 0.00 0.00 0.00 36.38 32.78 2q3a s VAL 108 CO 0.35 -0.48 1.43 -2.84 0.00 0.00 0.00 175.10 173.55 2q3a s PRO 109 N 1.27 4.29 -0.44 2.72 0.02 -1.26 -2.12 135.00 139.48 2q3a s PRO 109 Ca 0.03 2.11 0.04 0.00 0.02 0.00 0.00 61.00 63.20 2q3a s PRO 109 Cb -0.22 -3.32 0.12 0.00 0.02 0.00 0.00 34.50 31.10 2q3a s PRO 109 CO -0.01 -0.50 0.18 0.08 -0.33 0.00 0.00 177.00 176.42 2q3a s VAL 110 N 1.44 2.30 0.29 3.83 1.01 0.89 -4.88 120.40 125.28 2q3a s VAL 110 Ca 0.66 -2.84 0.08 0.00 0.00 0.00 0.00 61.98 59.88 2q3a s VAL 110 Cb -0.37 -2.64 -0.06 0.00 0.00 0.00 0.00 36.38 33.32 2q3a s VAL 110 CO 0.30 -0.73 -0.10 -0.36 0.00 0.00 0.00 175.10 174.20 2q3a s PHE 111 N 0.26 2.09 0.49 5.22 0.08 -1.26 -1.58 117.98 123.28 2q3a s PHE 111 Ca 0.15 -0.57 -0.16 0.00 0.12 0.00 0.00 56.93 56.46 2q3a s PHE 111 Cb -0.23 -1.13 -0.08 0.00 -0.57 0.00 0.00 43.02 41.01 2q3a s PHE 111 CO -0.04 0.44 0.96 -0.51 -0.10 0.00 0.00 175.22 175.97 2q3a s LEU 112 N -3.48 3.67 0.63 -0.37 1.43 -1.25 -1.42 118.68 117.89 2q3a s LEU 112 Ca 0.29 1.53 -0.17 0.00 -1.03 0.00 0.00 54.13 54.75 2q3a s LEU 112 Cb 0.02 -4.45 -0.02 0.00 0.03 0.00 0.00 46.19 41.77 2q3a s LEU 112 CO 0.13 -0.55 1.19 -2.16 0.23 0.00 0.00 176.35 175.19 2q3a s PRO 113 N -3.97 2.80 -0.20 1.29 0.04 -1.25 -4.84 135.00 128.86 2q3a s PRO 113 Ca 0.58 1.72 -0.09 0.00 0.04 0.00 0.00 61.00 63.25 2q3a s PRO 113 Cb -0.10 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 2q3a s PRO 113 CO 0.30 -1.32 0.12 0.00 0.04 0.00 0.00 177.00 176.14 2q3a s ALA 114 N -1.81 3.59 0.25 8.56 0.00 -1.26 -5.06 121.76 126.04 2q3a s ALA 114 Ca 0.75 -0.75 -0.31 0.00 0.00 0.00 0.00 51.96 51.65 2q3a s ALA 114 Cb -0.28 -2.13 -0.11 0.00 0.00 0.00 0.00 23.12 20.59 2q3a s ALA 114 CO 0.36 0.09 1.64 0.15 0.00 0.00 0.00 175.76 178.00 2q3a s LYS 115 N 0.51 4.14 0.63 0.00 1.02 -1.26 -4.86 119.74 119.92 2q3a s LYS 115 Ca 0.07 2.56 0.31 0.00 0.02 0.00 0.00 55.97 58.93 2q3a s LYS 115 Cb -0.12 -3.06 1.68 0.00 -0.52 0.00 0.00 37.83 35.82 2q3a s LYS 115 CO -0.00 -0.67 1.99 -1.00 -0.92 0.00 0.00 175.35 174.75 2q3a h PRO 116 N 5.77 0.00 -0.02 -1.68 0.13 -2.06 -3.57 132.00 130.58 2q3a h PRO 116 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2q3a h PRO 116 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2q3a h PRO 116 CO 0.87 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.89