#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3laq s GLN 2 N 0.00 2.95 0.38 1.96 -0.21 -1.26 -0.39 119.66 123.09 3laq s GLN 2 Ca 0.00 -0.92 0.08 0.00 0.02 0.00 0.00 55.36 54.53 3laq s GLN 2 Cb 0.00 -3.16 -0.02 0.00 1.00 0.00 0.00 33.01 30.83 3laq s GLN 2 CO 0.00 -0.42 0.35 0.00 -2.12 0.00 0.00 175.29 173.10 3laq s MET 4 N -4.08 3.19 0.12 0.00 -1.94 -1.26 -0.36 119.30 114.97 3laq s MET 4 Ca 0.45 -2.51 -0.30 0.00 -1.71 0.00 0.00 55.69 51.62 3laq s MET 4 Cb -0.05 -4.15 -0.06 0.00 2.01 0.00 0.00 34.83 32.58 3laq s MET 4 CO 0.27 -1.24 1.12 -1.14 -0.01 0.00 0.00 175.02 174.02 3laq s GLN 5 N 0.03 4.53 -0.27 2.03 -0.44 0.62 -3.88 119.66 122.28 3laq s GLN 5 Ca 0.18 1.70 -0.19 0.00 -2.50 0.00 0.00 55.36 54.55 3laq s GLN 5 Cb -0.14 -3.32 0.08 0.00 -1.64 0.00 0.00 33.01 27.98 3laq s GLN 5 CO -0.07 -0.06 0.69 0.00 0.50 0.00 0.00 175.29 176.36 3laq n GLU 7 N 3.78 -1.25 -2.61 0.00 4.07 -1.26 -1.47 120.64 121.90 3laq n GLU 7 Ca -0.18 -1.17 -0.34 0.00 -0.06 0.00 0.00 57.16 55.41 3laq n GLU 7 Cb 0.58 -0.87 -0.04 0.00 -0.06 0.00 0.00 31.44 31.04 3laq n GLU 7 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 3laq s SER 8 N -3.71 6.53 -0.35 4.31 0.15 -1.24 -3.58 113.70 115.81 3laq s SER 8 Ca 0.44 1.89 -0.05 0.00 0.70 0.00 0.00 55.95 58.94 3laq s SER 8 Cb -0.02 -2.56 0.05 0.00 -1.71 0.00 0.00 66.02 61.78 3laq s SER 8 CO 0.32 -0.65 0.11 -0.46 1.20 0.00 0.00 173.24 173.76 3laq n ASN 9 N -0.78 -0.65 -4.25 5.45 6.94 -1.26 -4.89 115.26 115.81 3laq n ASN 9 Ca 0.08 -0.08 -0.32 0.00 -0.02 0.00 0.00 54.58 54.24 3laq n ASN 9 Cb 0.52 -0.61 -0.17 0.00 -2.36 0.00 0.00 39.78 37.17 3laq n ASN 9 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3laq s GLN 10 N -3.11 2.90 0.76 -3.83 -2.07 -1.23 -5.13 119.66 107.94 3laq s GLN 10 Ca 0.16 -0.87 -0.14 0.00 -1.82 0.00 0.00 55.36 52.68 3laq s GLN 10 Cb -0.09 -2.28 0.06 0.00 -1.09 0.00 0.00 33.01 29.60 3laq s GLN 10 CO 0.19 0.26 1.22 -1.54 -1.32 0.00 0.00 175.29 174.10 3laq s SER 11 N 0.15 3.91 0.82 12.60 1.04 -1.26 -4.21 113.70 126.74 3laq s SER 11 Ca -0.13 2.41 -0.12 0.00 0.48 0.00 0.00 55.95 58.59 3laq s SER 11 Cb -0.16 -2.59 0.09 0.00 0.10 0.00 0.00 66.02 63.45 3laq s SER 11 CO 0.07 -2.46 1.16 0.00 0.98 0.00 0.00 173.24 173.00 3laq s LEU 13 N -5.89 2.04 -0.02 0.00 1.02 0.16 -4.95 118.68 111.05 3laq s LEU 13 Ca 0.69 -0.60 -0.22 0.00 0.02 0.00 0.00 54.13 54.02 3laq s LEU 13 Cb -0.25 0.39 -0.05 0.00 0.02 0.00 0.00 46.19 46.31 3laq s LEU 13 CO 0.52 -0.47 0.65 -0.69 0.02 0.00 0.00 176.35 176.38 3laq s VAL 14 N -2.51 4.92 -0.06 -1.59 1.01 -1.26 -0.28 120.40 120.63 3laq s VAL 14 Ca -0.06 1.35 0.02 0.00 0.00 0.00 0.00 61.98 63.29 3laq s VAL 14 Cb -0.02 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.39 3laq s VAL 14 CO -0.04 0.36 -0.12 -0.70 0.00 0.00 0.00 175.10 174.59 3laq s GLU 15 N 0.12 1.69 0.30 2.72 2.12 0.51 -4.83 118.70 121.34 3laq s GLU 15 Ca 0.34 -0.42 -0.28 0.00 0.36 0.00 0.00 54.97 54.97 3laq s GLU 15 Cb -0.18 -1.40 -0.09 0.00 0.26 0.00 0.00 34.13 32.71 3laq s GLU 15 CO 0.18 0.04 1.01 -2.00 -0.54 0.00 0.00 175.26 173.95 3laq s GLU 16 N 0.63 4.59 -0.16 4.30 -6.30 -1.26 -1.31 118.70 119.18 3laq s GLU 16 Ca -0.14 1.56 -0.08 0.00 -2.50 0.00 0.00 54.97 53.81 3laq s GLU 16 Cb -0.15 -2.99 -0.04 0.00 0.00 0.00 0.00 34.13 30.94 3laq s GLU 16 CO 0.04 0.23 0.13 0.00 0.02 0.00 0.00 175.26 175.68 3laq n ALA 18 N 2.70 -1.00 -1.60 0.00 0.00 -1.26 -4.28 120.51 115.06 3laq n ALA 18 Ca -0.18 0.24 -0.45 0.00 0.00 0.00 0.00 53.44 53.04 3laq n ALA 18 Cb 0.54 -1.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.09 3laq n ALA 18 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3laq n LEU 19 N 1.14 1.98 0.00 0.00 -0.00 -1.26 -2.51 117.00 116.34 3laq n LEU 19 Ca 0.11 1.17 0.00 0.00 -0.00 0.00 0.00 56.01 57.29 3laq n LEU 19 Cb 0.37 -1.30 0.00 0.00 -0.00 0.00 0.00 43.42 42.49 3laq n LEU 19 CO 0.56 -1.22 0.00 0.61 -0.00 0.00 0.00 177.39 177.34 3laq n GLY 20 N 1.48 2.77 3.71 1.47 0.00 -1.26 -4.95 105.19 108.41 3laq n GLY 20 Ca 0.11 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 3laq n GLY 20 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3laq s GLN 21 N 0.00 1.62 0.00 1.61 -0.21 -1.05 -4.10 119.66 117.54 3laq s GLN 21 Ca 0.00 1.55 0.00 0.00 0.02 0.00 0.00 55.36 56.93 3laq s GLN 21 Cb 0.00 -1.79 0.00 0.00 1.00 0.00 0.00 33.01 32.22 3laq s GLN 21 CO 0.00 -2.19 0.00 -0.40 -2.12 0.00 0.00 175.29 170.58 3laq n ASP 22 N -3.60 0.00 -4.38 5.90 3.85 -1.26 -4.77 116.55 112.29 3laq n ASP 22 Ca 0.12 0.00 -0.20 0.00 -0.71 0.00 0.00 54.79 54.00 3laq n ASP 22 Cb 0.52 0.00 -0.10 0.00 -1.35 0.00 0.00 41.12 40.18 3laq n ASP 22 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3laq s LEU 23 N 0.00 2.51 0.03 -2.12 1.43 -1.26 -4.85 118.68 114.43 3laq s LEU 23 Ca 0.00 -1.10 -0.00 0.00 -1.03 0.00 0.00 54.13 52.00 3laq s LEU 23 Cb 0.00 -0.66 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 3laq s LEU 23 CO 0.00 -0.25 0.17 0.00 0.23 0.00 0.00 176.35 176.50 3laq s ARG 25 N -2.22 1.43 -0.14 0.00 3.52 -0.38 -1.48 118.95 119.68 3laq s ARG 25 Ca 0.30 -0.57 0.01 0.00 -0.13 0.00 0.00 55.73 55.35 3laq s ARG 25 Cb -0.13 -1.33 0.02 0.00 -1.56 0.00 0.00 34.95 31.95 3laq s ARG 25 CO 0.23 0.30 -0.17 0.99 -0.81 0.00 0.00 175.30 175.84 3laq s THR 26 N -0.21 1.72 -0.23 4.11 2.01 -0.70 -2.69 115.64 119.65 3laq s THR 26 Ca 0.02 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 3laq s THR 26 Cb -0.08 -1.58 0.03 0.00 0.01 0.00 0.00 72.50 70.88 3laq s THR 26 CO 0.00 0.48 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.43 3laq s THR 27 N 1.21 2.65 -0.05 -0.82 2.01 0.95 -0.70 115.64 120.90 3laq s THR 27 Ca 0.00 -1.05 0.06 0.00 0.31 0.00 0.00 61.69 61.02 3laq s THR 27 Cb -0.14 -2.32 -0.01 0.00 0.01 0.00 0.00 72.50 70.04 3laq s THR 27 CO -0.07 0.26 -0.24 0.54 -0.69 0.00 0.00 174.62 174.41 3laq s VAL 28 N 1.30 2.15 -0.05 3.82 0.11 0.01 -0.31 120.40 127.43 3laq s VAL 28 Ca 0.00 -1.05 0.03 0.00 -2.93 0.00 0.00 61.98 58.04 3laq s VAL 28 Cb -0.16 -1.77 0.00 0.00 -1.53 0.00 0.00 36.38 32.92 3laq s VAL 28 CO -0.06 0.57 -0.13 -0.22 -3.33 0.00 0.00 175.10 171.93 3laq s LEU 29 N -0.33 1.78 0.13 2.54 0.20 0.06 -1.05 118.68 122.00 3laq s LEU 29 Ca 0.02 -0.28 0.11 0.00 0.69 0.00 0.00 54.13 54.66 3laq s LEU 29 Cb -0.12 -0.80 -0.04 0.00 -0.43 0.00 0.00 46.19 44.80 3laq s LEU 29 CO 0.02 0.09 -0.25 -0.13 -0.29 0.00 0.00 176.35 175.79 3laq s ARG 30 N 0.30 1.50 0.50 1.98 0.52 -0.58 -0.93 118.95 122.25 3laq s ARG 30 Ca -0.07 -1.32 0.02 0.00 -0.52 0.00 0.00 55.73 53.85 3laq s ARG 30 Cb -0.12 -1.95 -0.01 0.00 0.52 0.00 0.00 34.95 33.38 3laq s ARG 30 CO 0.02 0.46 0.06 -1.21 0.02 0.00 0.00 175.30 174.65 3laq s GLU 31 N -2.11 2.18 -0.24 3.54 2.02 0.26 -0.22 118.70 124.14 3laq s GLU 31 Ca 0.15 -2.30 -0.26 0.00 0.02 0.00 0.00 54.97 52.58 3laq s GLU 31 Cb -0.10 -1.63 0.09 0.00 0.10 0.00 0.00 34.13 32.59 3laq s GLU 31 CO 0.07 -0.35 0.82 -0.46 0.02 0.00 0.00 175.26 175.36 3laq s TRP 32 N -2.84 -0.65 -0.50 1.61 -0.11 -1.15 -3.33 118.94 111.97 3laq s TRP 32 Ca 0.13 1.51 0.06 0.00 1.22 0.00 0.00 56.10 59.02 3laq s TRP 32 Cb 0.02 0.33 0.20 0.00 -1.50 0.00 0.00 33.47 32.52 3laq s TRP 32 CO 0.07 -0.37 0.80 1.04 -4.62 0.00 0.00 176.95 173.88 3laq n GLN 33 N 2.18 0.55 -2.67 5.86 6.02 -1.26 -3.12 117.38 124.94 3laq n GLN 33 Ca -0.14 -1.86 -0.04 0.00 -0.01 0.00 0.00 57.00 54.95 3laq n GLN 33 Cb 0.56 -1.34 -0.03 0.00 1.02 0.00 0.00 30.24 30.45 3laq n GLN 33 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3laq n ASP 34 N 2.62 -2.97 -3.38 1.08 8.00 -1.26 -4.11 116.55 116.52 3laq n ASP 34 Ca 0.15 1.34 -0.24 0.00 0.71 0.00 0.00 54.79 56.76 3laq n ASP 34 Cb 0.58 -5.04 -0.00 0.00 -0.02 0.00 0.00 41.12 36.64 3laq n ASP 34 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3laq n ASP 35 N 1.47 -3.95 -1.00 -2.24 2.03 -1.26 -4.90 116.55 106.70 3laq n ASP 35 Ca -0.28 -0.42 0.03 0.00 0.52 0.00 0.00 54.79 54.64 3laq n ASP 35 Cb 0.45 -3.26 0.14 0.00 -0.72 0.00 0.00 41.12 37.73 3laq n ASP 35 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3laq n ARG 36 N -3.81 1.37 -1.49 -0.67 5.12 -1.26 -5.03 116.66 110.89 3laq n ARG 36 Ca -0.02 -3.06 -0.44 0.00 -1.93 0.00 0.00 57.85 52.40 3laq n ARG 36 Cb 0.55 -1.28 -0.08 0.00 -1.16 0.00 0.00 32.46 30.49 3laq n ARG 36 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 3laq n GLU 37 N -0.68 0.80 -3.37 5.56 0.28 -1.26 -4.37 120.64 117.61 3laq n GLU 37 Ca 0.17 0.13 -0.35 0.00 -0.16 0.00 0.00 57.16 56.96 3laq n GLU 37 Cb 0.83 -2.51 -0.06 0.00 1.43 0.00 0.00 31.44 31.13 3laq n GLU 37 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 3laq s LEU 38 N 9.17 4.32 -0.23 -1.84 2.96 -1.21 -4.95 118.68 126.91 3laq s LEU 38 Ca 1.13 1.06 -0.04 0.00 -0.22 0.00 0.00 54.13 56.06 3laq s LEU 38 Cb -0.76 -3.30 0.12 0.00 0.50 0.00 0.00 46.19 42.75 3laq s LEU 38 CO 0.42 0.09 0.37 -0.70 -1.32 0.00 0.00 176.35 175.21 3laq s GLU 39 N -2.04 0.32 -0.13 1.98 2.12 -1.26 -0.57 118.70 119.11 3laq s GLU 39 Ca 0.39 0.61 0.01 0.00 0.36 0.00 0.00 54.97 56.33 3laq s GLU 39 Cb -0.15 -0.37 -0.01 0.00 0.26 0.00 0.00 34.13 33.87 3laq s GLU 39 CO 0.19 -0.56 -0.16 0.14 -0.54 0.00 0.00 175.26 174.34 3laq s VAL 40 N 2.54 2.74 0.00 3.70 -7.23 -0.11 -4.97 120.40 117.07 3laq s VAL 40 Ca 0.09 -0.76 0.02 0.00 -1.81 0.00 0.00 61.98 59.52 3laq s VAL 40 Cb -0.15 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 3laq s VAL 40 CO -0.15 0.53 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.47 3laq s VAL 41 N 0.52 4.05 0.04 1.32 1.01 -1.26 -0.76 120.40 125.32 3laq s VAL 41 Ca -0.10 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 3laq s VAL 41 Cb -0.16 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 3laq s VAL 41 CO 0.04 0.37 -0.01 0.42 0.00 0.00 0.00 175.10 175.91 3laq s THR 42 N -1.08 0.19 0.08 3.92 -4.23 0.58 -3.66 115.64 111.45 3laq s THR 42 Ca 0.19 -1.57 -0.26 0.00 -1.18 0.00 0.00 61.69 58.88 3laq s THR 42 Cb -0.11 -1.23 0.08 0.00 1.34 0.00 0.00 72.50 72.58 3laq s THR 42 CO 0.10 -0.87 0.72 0.00 -0.54 0.00 0.00 174.62 174.04 3laq s ARG 43 N -3.37 1.08 0.00 3.99 1.70 -0.54 -0.03 118.95 121.78 3laq s ARG 43 Ca 0.02 -0.38 0.00 0.00 -0.47 0.00 0.00 55.73 54.90 3laq s ARG 43 Cb 0.04 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 34.92 3laq s ARG 43 CO -0.08 -0.47 0.00 0.41 -1.08 0.00 0.00 175.30 174.08 3laq n GLY 44 N -0.28 -0.58 3.89 3.88 0.00 -1.09 -2.00 105.19 109.01 3laq n GLY 44 Ca -0.14 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 3laq n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3laq n ALA 46 N -2.31 1.03 -0.30 0.00 0.00 -0.67 -4.80 120.51 113.45 3laq n ALA 46 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3laq n ALA 46 Cb 0.55 0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3laq n ALA 46 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3laq n HIS 47 N -3.77 0.00 1.06 0.00 8.25 -1.26 -4.87 115.22 114.64 3laq n HIS 47 Ca -0.08 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.41 3laq n HIS 47 Cb 0.30 -1.43 0.09 0.00 1.12 0.00 0.00 29.99 30.08 3laq n HIS 47 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3laq n SER 48 N -0.07 1.48 -2.28 0.41 3.41 -1.26 -3.21 113.62 112.10 3laq n SER 48 Ca 0.00 -2.09 -0.29 0.00 -0.26 0.00 0.00 58.87 56.23 3laq n SER 48 Cb 0.00 -0.28 0.05 0.00 -0.26 0.00 0.00 64.21 63.72 3laq n SER 48 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3laq n GLU 49 N 0.11 2.40 -4.01 4.33 -0.58 -1.26 -4.93 120.64 116.71 3laq n GLU 49 Ca 0.07 -2.71 -0.11 0.00 -0.42 0.00 0.00 57.16 53.99 3laq n GLU 49 Cb 0.28 -2.07 -0.12 0.00 -0.57 0.00 0.00 31.44 28.97 3laq n GLU 49 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3laq s LYS 50 N -3.06 0.35 0.41 3.49 1.02 -1.20 -3.01 119.74 117.74 3laq s LYS 50 Ca 0.53 -0.53 0.04 0.00 0.02 0.00 0.00 55.97 56.03 3laq s LYS 50 Cb 0.41 -0.08 -0.02 0.00 -0.52 0.00 0.00 37.83 37.61 3laq s LYS 50 CO -0.07 0.00 0.13 0.95 -0.92 0.00 0.00 175.35 175.44 3laq s THR 51 N -1.10 0.57 0.28 2.17 -4.23 -1.26 -4.94 115.64 107.13 3laq s THR 51 Ca -0.10 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.12 3laq s THR 51 Cb -0.08 -2.33 -0.10 0.00 1.34 0.00 0.00 72.50 71.34 3laq s THR 51 CO -0.00 0.00 1.10 0.20 -0.54 0.00 0.00 174.62 175.37 3laq s ASN 52 N -3.62 7.27 -0.06 3.99 0.01 -1.26 -4.38 114.94 116.89 3laq s ASN 52 Ca 0.23 2.27 -0.18 0.00 -0.71 0.00 0.00 52.86 54.46 3laq s ASN 52 Cb 0.02 -2.63 0.04 0.00 0.41 0.00 0.00 41.25 39.09 3laq s ASN 52 CO 0.15 -0.14 0.43 0.00 -1.51 0.00 0.00 177.10 176.02 3laq s ARG 53 N -1.45 0.71 0.25 -0.60 3.03 -0.23 -4.86 118.95 115.80 3laq s ARG 53 Ca 0.44 0.13 0.09 0.00 2.03 0.00 0.00 55.73 58.43 3laq s ARG 53 Cb -0.32 0.33 -0.05 0.00 -1.03 0.00 0.00 34.95 33.88 3laq s ARG 53 CO 0.41 -0.18 -0.15 0.99 -1.13 0.00 0.00 175.30 175.24 3laq s THR 54 N -0.87 2.03 0.15 4.99 2.01 -0.78 -0.79 115.64 122.38 3laq s THR 54 Ca -0.09 -2.27 -0.18 0.00 0.31 0.00 0.00 61.69 59.46 3laq s THR 54 Cb -0.04 -2.23 0.04 0.00 0.01 0.00 0.00 72.50 70.28 3laq s THR 54 CO 0.04 -0.46 0.47 -0.32 -0.69 0.00 0.00 174.62 173.66 3laq s MET 55 N -3.61 1.18 -0.30 4.92 0.00 0.17 -1.30 119.30 120.36 3laq s MET 55 Ca 0.27 -0.69 -0.16 0.00 0.00 0.00 0.00 55.69 55.10 3laq s MET 55 Cb -0.01 0.50 0.17 0.00 0.00 0.00 0.00 34.83 35.49 3laq s MET 55 CO 0.11 -0.48 1.10 -1.12 0.00 0.00 0.00 175.02 174.63 3laq s SER 56 N -2.81 -0.35 0.28 1.11 0.01 0.36 -1.60 113.70 110.70 3laq s SER 56 Ca 0.04 0.52 -0.01 0.00 1.31 0.00 0.00 55.95 57.81 3laq s SER 56 Cb 0.01 1.29 -0.02 0.00 0.21 0.00 0.00 66.02 67.50 3laq s SER 56 CO -0.10 -0.08 0.32 -0.72 0.41 0.00 0.00 173.24 173.07 3laq s TYR 57 N 1.77 1.18 0.04 2.43 -0.85 -0.84 -0.96 117.35 120.12 3laq s TYR 57 Ca -0.05 -1.34 0.05 0.00 -0.52 0.00 0.00 57.07 55.21 3laq s TYR 57 Cb -0.04 -0.36 -0.02 0.00 0.38 0.00 0.00 41.96 41.92 3laq s TYR 57 CO -0.15 -0.90 -0.13 -0.98 -1.52 0.00 0.00 175.55 171.87 3laq s ARG 58 N -3.63 0.89 -0.67 -3.49 1.70 -1.26 -0.18 118.95 112.31 3laq s ARG 58 Ca 0.35 -0.75 0.05 0.00 -0.47 0.00 0.00 55.73 54.91 3laq s ARG 58 Cb 0.03 -0.89 0.20 0.00 -0.57 0.00 0.00 34.95 33.72 3laq s ARG 58 CO 0.18 0.22 0.60 -1.33 -1.08 0.00 0.00 175.30 173.89 3laq n MET 59 N 1.87 2.09 0.00 3.89 2.81 0.14 -4.60 117.12 123.31 3laq n MET 59 Ca -0.18 -4.54 0.00 0.00 -1.81 0.00 0.00 57.70 51.17 3laq n MET 59 Cb 0.55 -2.26 0.00 0.00 -0.71 0.00 0.00 33.22 30.80 3laq n MET 59 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3laq n GLY 60 N 1.51 1.75 0.01 3.03 0.00 -1.26 -3.15 105.19 107.08 3laq n GLY 60 Ca 0.24 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 46.10 3laq n GLY 60 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3laq n SER 61 N 8.23 0.68 -4.86 1.61 3.41 -1.26 -4.91 113.62 116.53 3laq n SER 61 Ca 0.00 -0.47 -0.37 0.00 -0.26 0.00 0.00 58.87 57.77 3laq n SER 61 Cb 0.00 0.79 -0.06 0.00 -0.26 0.00 0.00 64.21 64.68 3laq n SER 61 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3laq s MET 62 N -3.10 3.62 -0.13 4.33 -2.45 -1.19 -4.60 119.30 115.79 3laq s MET 62 Ca 0.06 0.05 0.02 0.00 -1.25 0.00 0.00 55.69 54.57 3laq s MET 62 Cb 0.16 -3.21 -0.00 0.00 1.25 0.00 0.00 34.83 33.03 3laq s MET 62 CO 0.81 0.73 -0.20 0.42 1.05 0.00 0.00 175.02 177.83 3laq s ILE 63 N -0.99 2.33 -0.10 10.11 1.09 -1.18 -0.69 121.20 131.77 3laq s ILE 63 Ca 0.18 -0.91 -0.00 0.00 -1.10 0.00 0.00 60.65 58.82 3laq s ILE 63 Cb -0.14 -1.93 -0.03 0.00 -1.06 0.00 0.00 42.46 39.30 3laq s ILE 63 CO 0.07 0.54 -0.08 0.27 -0.10 0.00 0.00 174.94 175.64 3laq s ILE 64 N 0.56 3.56 -0.27 2.92 -5.25 0.75 -2.94 121.20 120.52 3laq s ILE 64 Ca -0.12 -0.51 -0.03 0.00 -0.99 0.00 0.00 60.65 59.00 3laq s ILE 64 Cb -0.17 -2.48 0.09 0.00 2.95 0.00 0.00 42.46 42.85 3laq s ILE 64 CO 0.04 0.56 0.10 -0.55 -1.79 0.00 0.00 174.94 173.30 3laq s SER 65 N -0.30 3.43 -0.11 4.36 0.15 0.70 -1.99 113.70 119.95 3laq s SER 65 Ca 0.04 -1.23 -0.14 0.00 0.70 0.00 0.00 55.95 55.32 3laq s SER 65 Cb -0.13 -0.50 -0.05 0.00 -1.71 0.00 0.00 66.02 63.64 3laq s SER 65 CO 0.02 -0.40 0.33 -0.76 1.20 0.00 0.00 173.24 173.63 3laq s LEU 66 N 1.95 4.33 -0.06 3.45 1.02 -0.63 -1.52 118.68 127.23 3laq s LEU 66 Ca 0.07 0.66 -0.06 0.00 0.02 0.00 0.00 54.13 54.82 3laq s LEU 66 Cb -0.16 -2.43 0.01 0.00 0.02 0.00 0.00 46.19 43.63 3laq s LEU 66 CO -0.27 0.19 0.16 0.28 0.02 0.00 0.00 176.35 176.74 3laq s THR 67 N -0.13 0.01 0.01 5.49 -1.32 -0.22 -0.66 115.64 118.82 3laq s THR 67 Ca 0.19 -0.08 -0.00 0.00 -1.21 0.00 0.00 61.69 60.58 3laq s THR 67 Cb -0.14 -0.27 -0.01 0.00 -1.51 0.00 0.00 72.50 70.57 3laq s THR 67 CO 0.07 -0.05 -0.01 -0.70 -2.21 0.00 0.00 174.62 171.73 3laq s GLU 68 N -0.09 0.21 -0.16 7.08 2.12 0.03 -0.81 118.70 127.08 3laq s GLU 68 Ca -0.02 -0.37 -0.09 0.00 0.36 0.00 0.00 54.97 54.85 3laq s GLU 68 Cb -0.02 0.07 0.05 0.00 0.26 0.00 0.00 34.13 34.50 3laq s GLU 68 CO 0.00 -0.03 0.38 -0.08 -0.54 0.00 0.00 175.26 174.99 3laq s THR 69 N -0.91 -0.02 -0.20 -1.70 -1.32 0.12 -1.06 115.64 110.55 3laq s THR 69 Ca -0.10 0.08 -0.02 0.00 -1.21 0.00 0.00 61.69 60.44 3laq s THR 69 Cb -0.06 -0.56 0.00 0.00 -1.51 0.00 0.00 72.50 70.37 3laq s THR 69 CO -0.01 0.03 -0.10 0.68 -2.21 0.00 0.00 174.62 173.02 3laq s VAL 70 N 1.15 2.91 0.24 5.08 -7.23 -1.26 -1.73 120.40 119.56 3laq s VAL 70 Ca -0.08 -0.66 0.06 0.00 -1.81 0.00 0.00 61.98 59.50 3laq s VAL 70 Cb -0.08 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 3laq s VAL 70 CO -0.10 0.47 0.23 0.00 -0.31 0.00 0.00 175.10 175.40 3laq n ALA 72 N -1.19 1.59 -0.82 0.00 0.00 -1.26 0.11 120.51 118.93 3laq n ALA 72 Ca -0.08 -1.19 -0.29 0.00 0.00 0.00 0.00 53.44 51.88 3laq n ALA 72 Cb 0.57 -0.16 0.20 0.00 0.00 0.00 0.00 19.45 20.07 3laq n ALA 72 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3laq s THR 73 N -2.47 2.20 0.45 0.00 -1.32 -1.26 -4.77 115.64 108.47 3laq s THR 73 Ca -0.09 0.07 -0.24 0.00 -1.21 0.00 0.00 61.69 60.22 3laq s THR 73 Cb 0.06 -2.28 -0.07 0.00 -1.51 0.00 0.00 72.50 68.69 3laq s THR 73 CO 0.75 -0.09 1.25 0.20 -2.21 0.00 0.00 174.62 174.53 3laq s ASN 74 N -2.90 6.06 -1.19 8.08 0.01 -1.26 -3.82 114.94 119.92 3laq s ASN 74 Ca 0.66 2.52 -0.15 0.00 -0.71 0.00 0.00 52.86 55.18 3laq s ASN 74 Cb -0.22 -2.62 0.15 0.00 0.41 0.00 0.00 41.25 38.97 3laq s ASN 74 CO 0.61 -1.01 0.38 0.18 -1.51 0.00 0.00 177.10 175.75 3laq n LEU 75 N -0.34 -0.52 -0.49 0.60 4.77 0.16 -4.77 117.00 116.41 3laq n LEU 75 Ca 0.06 -0.71 0.13 0.00 -0.03 0.00 0.00 56.01 55.47 3laq n LEU 75 Cb 0.46 -1.15 0.50 0.00 -2.33 0.00 0.00 43.42 40.89 3laq n LEU 75 CO 0.52 0.06 0.85 0.00 -1.33 0.00 0.00 177.39 177.49 3laq n ASN 77 N 0.19 4.60 0.00 0.00 0.23 -1.26 -4.98 115.26 114.04 3laq n ASN 77 Ca 0.18 -3.61 0.00 0.00 -0.53 0.00 0.00 54.58 50.63 3laq n ASN 77 Cb 0.35 -0.67 0.00 0.00 -2.08 0.00 0.00 39.78 37.37 3laq n ASN 77 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3laq n ARG 78 N 0.16 0.00 0.00 -3.83 1.74 -1.26 -4.66 116.66 108.81 3laq n ARG 78 Ca 0.32 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 3laq n ARG 78 Cb 0.38 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.82 3laq n ARG 78 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3laq n PRO 79 N 0.00 0.00 -1.47 5.56 -0.04 -1.26 -4.65 135.00 133.14 3laq n PRO 79 Ca 0.00 0.00 -0.56 0.00 -0.04 0.00 0.00 63.50 62.90 3laq n PRO 79 Cb 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 3laq n PRO 79 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3laq n ARG 80 N 0.00 0.00 0.00 0.54 1.74 -1.26 -5.15 116.66 112.53 3laq n ARG 80 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3laq n ARG 80 Cb 0.00 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 3laq n ARG 80 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3laq n PRO 81 N 1.35 0.00 -0.07 5.56 -0.02 -1.26 -5.18 135.00 135.38 3laq n PRO 81 Ca 0.19 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.59 3laq n PRO 81 Cb 0.13 -0.52 -0.10 0.00 -0.02 0.00 0.00 33.50 32.98 3laq n PRO 81 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 3laq n TYR 93 N -0.02 0.00 -1.56 6.00 4.19 -1.26 -5.03 117.16 119.48 3laq n TYR 93 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 3laq n TYR 93 Cb 0.00 -0.68 0.00 0.00 0.49 0.00 0.00 39.34 39.15 3laq n TYR 93 CO 0.00 0.00 0.00 -0.11 0.91 0.00 0.00 176.86 177.66 3laq n LEU 94 N -2.61 -0.58 -4.75 2.98 7.94 -1.26 -1.54 117.00 117.18 3laq n LEU 94 Ca -0.24 1.22 -0.35 0.00 -1.11 0.00 0.00 56.01 55.53 3laq n LEU 94 Cb 0.92 -1.66 -0.08 0.00 0.53 0.00 0.00 43.42 43.13 3laq n LEU 94 CO 0.27 -0.52 -0.20 -0.70 -1.11 0.00 0.00 177.39 175.13 3laq s GLU 95 N -0.24 3.89 0.29 1.96 2.12 -1.26 -0.54 118.70 124.92 3laq s GLU 95 Ca 0.00 -0.23 0.07 0.00 0.36 0.00 0.00 54.97 55.17 3laq s GLU 95 Cb 0.00 -3.28 -0.06 0.00 0.26 0.00 0.00 34.13 31.05 3laq s GLU 95 CO 0.00 0.44 -0.06 0.00 -0.54 0.00 0.00 175.26 175.10 3laq s ALA 97 N -2.96 2.68 -0.10 0.00 0.00 -1.26 -1.34 121.76 118.79 3laq s ALA 97 Ca 0.30 0.46 -0.04 0.00 0.00 0.00 0.00 51.96 52.68 3laq s ALA 97 Cb 0.04 -3.26 0.05 0.00 0.00 0.00 0.00 23.12 19.94 3laq s ALA 97 CO 0.13 -0.89 0.21 0.45 0.00 0.00 0.00 175.76 175.66 3laq s SER 98 N -2.65 0.00 0.26 0.00 0.15 -1.26 -3.39 113.70 106.81 3laq s SER 98 Ca 0.65 0.46 -0.09 0.00 0.70 0.00 0.00 55.95 57.67 3laq s SER 98 Cb -0.17 0.39 -0.01 0.00 -1.71 0.00 0.00 66.02 64.51 3laq s SER 98 CO 0.37 -0.18 0.42 0.00 1.20 0.00 0.00 173.24 175.04 3laq s THR 100 N -3.84 -0.17 0.57 0.00 2.01 -1.26 -0.90 115.64 112.05 3laq s THR 100 Ca 0.27 0.28 0.38 0.00 0.31 0.00 0.00 61.69 62.93 3laq s THR 100 Cb 0.01 -0.27 0.56 0.00 0.01 0.00 0.00 72.50 72.81 3laq s THR 100 CO 0.12 0.12 1.58 -1.28 -0.69 0.00 0.00 174.62 174.46 3laq h SER 101 N 7.87 0.00 -0.34 3.53 0.87 0.10 -2.13 113.55 123.45 3laq h SER 101 Ca -0.26 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.23 3laq h SER 101 Cb 1.13 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 3laq h SER 101 CO 0.27 0.00 0.01 0.25 -0.53 0.00 0.00 176.83 176.82 3laq h LEU 102 N 0.00 0.66 0.00 2.23 5.85 -1.95 -1.81 115.31 120.29 3laq h LEU 102 Ca 0.65 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 59.23 3laq h LEU 102 Cb 2.94 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 43.79 3laq h LEU 102 CO -0.01 0.73 -0.28 -0.67 -0.34 0.00 0.00 178.44 177.88 3laq n ASP 103 N -4.24 0.39 -1.26 1.25 -0.08 -1.13 -4.88 116.55 106.61 3laq n ASP 103 Ca 0.02 0.19 -0.06 0.00 -1.51 0.00 0.00 54.79 53.43 3laq n ASP 103 Cb 0.28 -0.17 0.02 0.00 2.34 0.00 0.00 41.12 43.58 3laq n ASP 103 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3laq n GLN 104 N -1.70 -1.97 0.04 -0.67 3.00 -0.68 -5.02 117.38 110.39 3laq n GLN 104 Ca 0.06 0.22 -0.02 0.00 -0.01 0.00 0.00 57.00 57.24 3laq n GLN 104 Cb 0.37 -3.41 -0.08 0.00 0.00 0.00 0.00 30.24 27.11 3laq n GLN 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 3laq h SER 105 N -0.66 0.00 0.00 1.08 0.87 -1.55 -3.41 113.55 109.88 3laq h SER 105 Ca -0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 3laq h SER 105 Cb 1.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 3laq h SER 105 CO 0.14 0.71 0.00 0.00 -0.53 0.00 0.00 176.83 177.15 3laq n GLU 107 N -1.12 0.00 -0.06 0.00 4.71 -1.26 -1.90 120.64 121.01 3laq n GLU 107 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.07 3laq n GLU 107 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.37 3laq n GLU 107 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3laq h ARG 108 N 0.00 -0.24 0.00 3.49 2.47 -1.80 -3.47 114.38 114.83 3laq h ARG 108 Ca 0.00 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 3laq h ARG 108 Cb 0.00 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 3laq h ARG 108 CO 0.00 -0.16 0.00 0.41 0.56 0.00 0.00 179.97 180.78 3laq n GLY 109 N -1.22 1.00 2.15 0.04 0.00 -0.80 -4.97 105.19 101.40 3laq n GLY 109 Ca -0.02 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 3laq n GLY 109 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3laq n ARG 110 N -2.00 2.62 0.00 1.61 -4.01 -1.26 -5.07 116.66 108.54 3laq n ARG 110 Ca 0.00 -3.33 0.00 0.00 -1.04 0.00 0.00 57.85 53.48 3laq n ARG 110 Cb 0.00 -2.22 0.00 0.00 -3.04 0.00 0.00 32.46 27.20 3laq n ARG 110 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 3laq n GLU 111 N -0.97 2.43 -0.37 2.89 1.02 -1.26 -4.99 120.64 119.38 3laq n GLU 111 Ca 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 3laq n GLU 111 Cb 0.98 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.40 3laq n GLU 111 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3laq n GLN 112 N 0.00 0.02 0.00 3.49 1.13 -1.06 -4.98 117.38 115.97 3laq n GLN 112 Ca 0.00 -0.89 0.00 0.00 -1.94 0.00 0.00 57.00 54.17 3laq n GLN 112 Cb 0.00 -0.51 0.00 0.00 0.11 0.00 0.00 30.24 29.84 3laq n GLN 112 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 3laq n SER 113 N -0.01 0.00 -4.17 1.08 3.41 -1.25 -4.54 113.62 108.14 3laq n SER 113 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 3laq n SER 113 Cb 0.65 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.49 3laq n SER 113 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 3laq s LEU 114 N 0.00 2.44 0.32 1.04 2.34 -0.45 -4.89 118.68 119.49 3laq s LEU 114 Ca 0.00 -0.88 -0.23 0.00 0.06 0.00 0.00 54.13 53.08 3laq s LEU 114 Cb 0.00 -0.21 -0.10 0.00 -0.56 0.00 0.00 46.19 45.32 3laq s LEU 114 CO 0.00 -0.34 0.89 -1.58 -1.06 0.00 0.00 176.35 174.27 3laq s GLN 115 N -3.15 4.43 0.32 1.48 0.74 -1.26 -1.92 119.66 120.30 3laq s GLN 115 Ca 0.07 1.17 -0.27 0.00 0.05 0.00 0.00 55.36 56.38 3laq s GLN 115 Cb -0.00 -2.68 -0.09 0.00 1.10 0.00 0.00 33.01 31.34 3laq s GLN 115 CO -0.02 0.24 1.01 0.00 -0.55 0.00 0.00 175.29 175.97 3laq n ARG 117 N 0.68 0.00 -3.15 0.00 1.74 -1.26 -4.74 116.66 109.92 3laq n ARG 117 Ca 0.01 0.10 -0.41 0.00 -0.77 0.00 0.00 57.85 56.79 3laq n ARG 117 Cb 0.48 -1.01 -0.07 0.00 -1.02 0.00 0.00 32.46 30.84 3laq n ARG 117 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3laq s TYR 118 N -1.19 3.24 -0.70 -1.55 2.02 -1.26 -4.87 117.35 113.05 3laq s TYR 118 Ca 0.00 0.64 -0.26 0.00 -0.37 0.00 0.00 57.07 57.08 3laq s TYR 118 Cb 0.00 -2.87 -0.14 0.00 -0.40 0.00 0.00 41.96 38.55 3laq s TYR 118 CO 0.00 -0.38 2.48 -2.30 -1.57 0.00 0.00 175.55 173.78 3laq n PRO 119 N 5.73 0.63 0.00 -1.71 -0.02 -1.26 -0.88 135.00 137.49 3laq n PRO 119 Ca -0.02 -0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 3laq n PRO 119 Cb 0.49 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 3laq n PRO 119 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3laq n THR 120 N 7.81 0.00 -4.51 3.45 -2.24 -1.26 -5.01 114.28 112.52 3laq n THR 120 Ca 0.48 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.96 3laq n THR 120 Cb 0.37 0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.43 3laq n THR 120 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3laq s GLU 121 N 0.00 2.52 0.18 -0.78 2.12 -0.06 -4.75 118.70 117.93 3laq s GLU 121 Ca 0.00 -0.67 -0.02 0.00 0.36 0.00 0.00 54.97 54.64 3laq s GLU 121 Cb 0.00 -2.10 -0.04 0.00 0.26 0.00 0.00 34.13 32.24 3laq s GLU 121 CO 0.00 -0.05 0.38 -1.01 -0.54 0.00 0.00 175.26 174.04 3laq s HIS 122 N 0.95 3.48 0.14 5.30 3.76 0.20 -4.78 115.29 124.34 3laq s HIS 122 Ca -0.06 0.39 -0.31 0.00 -0.15 0.00 0.00 55.06 54.92 3laq s HIS 122 Cb -0.15 -1.88 -0.10 0.00 1.11 0.00 0.00 32.58 31.56 3laq s HIS 122 CO -0.02 0.40 1.59 0.00 -0.85 0.00 0.00 174.74 175.86 3laq s ILE 124 N 1.56 1.16 -0.02 0.00 -4.36 0.31 0.50 121.20 120.36 3laq s ILE 124 Ca 0.71 -1.20 0.06 0.00 -0.26 0.00 0.00 60.65 59.96 3laq s ILE 124 Cb -0.43 -1.09 -0.02 0.00 1.25 0.00 0.00 42.46 42.18 3laq s ILE 124 CO 0.32 -0.12 -0.20 -0.70 0.24 0.00 0.00 174.94 174.47 3laq s GLU 125 N -1.51 1.69 -0.15 0.37 2.12 0.11 -2.13 118.70 119.20 3laq s GLU 125 Ca 0.00 -0.73 -0.02 0.00 0.36 0.00 0.00 54.97 54.58 3laq s GLU 125 Cb -0.09 -1.62 0.05 0.00 0.26 0.00 0.00 34.13 32.73 3laq s GLU 125 CO 0.02 0.43 0.02 0.14 -0.54 0.00 0.00 175.26 175.33 3laq s VAL 126 N -0.45 0.53 0.06 3.70 -7.23 -0.71 -0.24 120.40 116.06 3laq s VAL 126 Ca 0.07 -0.36 0.02 0.00 -1.81 0.00 0.00 61.98 59.90 3laq s VAL 126 Cb -0.08 -0.90 -0.04 0.00 0.56 0.00 0.00 36.38 35.91 3laq s VAL 126 CO -0.01 -0.04 0.13 0.54 -0.31 0.00 0.00 175.10 175.41 3laq s VAL 127 N 1.87 4.87 -0.40 1.32 0.11 0.03 -2.63 120.40 125.58 3laq s VAL 127 Ca 0.01 -0.59 0.04 0.00 -2.93 0.00 0.00 61.98 58.50 3laq s VAL 127 Cb -0.15 -3.35 0.16 0.00 -1.53 0.00 0.00 36.38 31.51 3laq s VAL 127 CO -0.07 0.15 0.41 -0.89 -3.33 0.00 0.00 175.10 171.37 3laq s THR 128 N -1.42 -0.28 -0.13 5.04 2.01 0.23 -2.42 115.64 118.67 3laq s THR 128 Ca 0.31 -1.31 -0.06 0.00 0.31 0.00 0.00 61.69 60.94 3laq s THR 128 Cb -0.12 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 3laq s THR 128 CO 0.24 -0.64 0.08 -0.76 -0.69 0.00 0.00 174.62 172.84 3laq s LEU 129 N 1.10 3.98 0.00 4.42 1.43 -0.76 -3.95 118.68 124.89 3laq s LEU 129 Ca 0.21 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 3laq s LEU 129 Cb -0.10 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.15 3laq s LEU 129 CO -0.06 0.32 0.00 0.00 0.23 0.00 0.00 176.35 176.85 3laq n GLN 130 N 2.54 1.76 -3.70 1.70 10.64 -1.26 0.16 117.38 129.22 3laq n GLN 130 Ca -0.18 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 54.87 3laq n GLN 130 Cb 0.54 0.00 -0.12 0.00 -0.86 0.00 0.00 30.24 29.79 3laq n GLN 130 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 3laq s SER 131 N 1.00 -0.17 0.00 2.61 0.01 -1.25 -4.75 113.70 111.15 3laq s SER 131 Ca 0.00 0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.92 3laq s SER 131 Cb 0.00 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.87 3laq s SER 131 CO 0.00 -0.20 0.00 0.35 0.41 0.00 0.00 173.24 173.80 3laq n THR 132 N 4.61 0.00 -0.23 1.44 -2.24 -1.26 -1.49 114.28 115.10 3laq n THR 132 Ca -0.19 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.61 3laq n THR 132 Cb 0.52 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.82 3laq n THR 132 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3laq n GLU 133 N 0.00 -0.09 -2.69 -0.78 1.02 -1.26 -4.86 120.64 111.98 3laq n GLU 133 Ca 0.00 0.98 -0.07 0.00 -0.02 0.00 0.00 57.16 58.06 3laq n GLU 133 Cb 0.00 -1.46 0.01 0.00 -0.02 0.00 0.00 31.44 29.97 3laq n GLU 133 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3laq n ARG 134 N -4.99 -2.05 0.14 3.49 1.74 -0.56 -4.95 116.66 109.48 3laq n ARG 134 Ca 0.09 1.90 -0.00 0.00 -0.77 0.00 0.00 57.85 59.06 3laq n ARG 134 Cb 0.29 -5.16 0.15 0.00 -1.02 0.00 0.00 32.46 26.72 3laq n ARG 134 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3laq h SER 135 N 1.69 0.00 -3.22 0.55 4.64 -1.89 -3.42 113.55 111.89 3laq h SER 135 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3laq h SER 135 Cb 0.88 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.94 3laq h SER 135 CO 0.18 0.61 -0.25 -0.76 -0.87 0.00 0.00 176.83 175.74 3laq s LEU 136 N -7.27 4.23 -0.45 5.97 1.43 -1.26 -4.91 118.68 116.41 3laq s LEU 136 Ca -0.00 0.67 0.04 0.00 -1.03 0.00 0.00 54.13 53.81 3laq s LEU 136 Cb 0.12 -3.41 0.58 0.00 0.03 0.00 0.00 46.19 43.51 3laq s LEU 136 CO 0.75 0.00 1.81 0.29 0.23 0.00 0.00 176.35 179.44 3laq n LYS 137 N -0.06 2.30 0.00 1.70 4.76 -1.26 -4.97 118.16 120.63 3laq n LYS 137 Ca -0.02 -3.16 0.00 0.00 -2.87 0.00 0.00 58.31 52.27 3laq n LYS 137 Cb 0.52 -2.12 0.00 0.00 -1.84 0.00 0.00 35.03 31.59 3laq n LYS 137 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3laq n ASP 138 N -1.08 -0.23 -4.24 4.39 10.43 -1.26 -5.10 116.55 119.45 3laq n ASP 138 Ca 0.54 -0.80 -0.25 0.00 2.57 0.00 0.00 54.79 56.85 3laq n ASP 138 Cb 1.31 0.00 -0.14 0.00 1.84 0.00 0.00 41.12 44.13 3laq n ASP 138 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 3laq s GLU 139 N -2.74 1.40 0.11 -1.24 -1.05 -1.26 -5.07 118.70 108.86 3laq s GLU 139 Ca 0.00 -0.91 -0.32 0.00 -0.15 0.00 0.00 54.97 53.59 3laq s GLU 139 Cb 0.00 -1.49 -0.11 0.00 -0.44 0.00 0.00 34.13 32.09 3laq s GLU 139 CO 0.00 0.38 1.57 -0.44 0.95 0.00 0.00 175.26 177.72 3laq h ASP 140 N 4.97 -1.45 -4.24 0.83 3.45 -1.93 -3.35 116.42 114.69 3laq h ASP 140 Ca -0.42 0.16 -0.44 0.00 0.43 0.00 0.00 57.03 56.76 3laq h ASP 140 Cb 1.16 0.55 -0.27 0.00 -0.56 0.00 0.00 39.33 40.21 3laq h ASP 140 CO 0.44 -0.51 -0.80 -0.31 -1.57 0.00 0.00 179.24 176.50 3laq s TYR 141 N -5.83 1.15 -0.28 4.55 1.51 -1.26 0.78 117.35 117.97 3laq s TYR 141 Ca -0.16 -0.28 -0.06 0.00 -1.01 0.00 0.00 57.07 55.56 3laq s TYR 141 Cb 0.07 -0.71 0.14 0.00 -0.11 0.00 0.00 41.96 41.35 3laq s TYR 141 CO 0.62 0.00 0.57 0.99 -1.11 0.00 0.00 175.55 176.63 3laq s THR 142 N -0.57 -0.91 0.10 -0.71 2.01 -1.08 0.15 115.64 114.64 3laq s THR 142 Ca 0.03 0.02 0.09 0.00 0.31 0.00 0.00 61.69 62.14 3laq s THR 142 Cb -0.06 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 3laq s THR 142 CO 0.00 0.00 -0.23 0.00 -0.69 0.00 0.00 174.62 173.71 3laq s ARG 143 N 2.81 1.27 0.00 4.92 1.70 -0.08 -1.74 118.95 127.83 3laq s ARG 143 Ca 0.04 -1.17 0.00 0.00 -0.47 0.00 0.00 55.73 54.14 3laq s ARG 143 Cb -0.13 -1.57 0.00 0.00 -0.57 0.00 0.00 34.95 32.68 3laq s ARG 143 CO -0.18 0.38 0.00 0.41 -1.08 0.00 0.00 175.30 174.82 3laq n GLY 144 N 1.21 -1.21 3.82 3.88 0.00 -0.90 -1.58 105.19 110.41 3laq n GLY 144 Ca -0.19 -0.95 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 3laq n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3laq s GLY 146 N -1.44 0.43 -0.24 0.00 0.00 0.23 -0.49 107.32 105.81 3laq s GLY 146 Ca 0.36 -0.78 -0.04 0.00 0.00 0.00 0.00 44.72 44.26 3laq s GLY 146 CO 0.20 -0.36 0.40 -0.45 0.00 0.00 0.00 173.10 172.90 3laq s SER 147 N -3.07 0.01 0.13 1.64 0.15 -0.42 0.61 113.70 112.75 3laq s SER 147 Ca 0.16 0.45 0.03 0.00 0.70 0.00 0.00 55.95 57.30 3laq s SER 147 Cb -0.05 1.25 -0.01 0.00 -1.71 0.00 0.00 66.02 65.50 3laq s SER 147 CO 0.12 -0.28 0.11 0.18 1.20 0.00 0.00 173.24 174.57 3laq n LEU 148 N 5.38 0.00 -4.66 3.45 4.77 -1.26 -1.87 117.00 122.81 3laq n LEU 148 Ca -0.05 -1.24 -0.46 0.00 -0.03 0.00 0.00 56.01 54.24 3laq n LEU 148 Cb 0.50 0.67 -0.03 0.00 -2.33 0.00 0.00 43.42 42.23 3laq n LEU 148 CO 0.04 -0.21 1.00 -2.65 -1.33 0.00 0.00 177.39 174.24 3laq n PRO 149 N -0.25 1.93 -3.80 3.23 -0.02 -1.26 -3.07 135.00 131.76 3laq n PRO 149 Ca 0.03 0.69 -0.25 0.00 -2.02 0.00 0.00 63.50 61.95 3laq n PRO 149 Cb 0.24 -2.34 0.02 0.00 -0.02 0.00 0.00 33.50 31.40 3laq n PRO 149 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3laq n GLY 150 N 2.29 -0.34 0.41 -1.23 0.00 -1.26 -4.92 105.19 100.13 3laq n GLY 150 Ca 0.13 0.15 -0.15 0.00 0.00 0.00 0.00 46.02 46.14 3laq n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3laq s PRO 152 N -4.83 1.94 0.00 0.00 0.02 -1.26 -4.33 135.00 126.53 3laq s PRO 152 Ca -0.15 1.04 0.00 0.00 0.02 0.00 0.00 61.00 61.91 3laq s PRO 152 Cb 0.01 -4.66 0.00 0.00 0.02 0.00 0.00 34.50 29.88 3laq s PRO 152 CO 0.44 -3.69 0.00 0.41 -0.33 0.00 0.00 177.00 173.84 3laq n GLY 153 N 6.29 0.84 3.38 0.52 0.00 -1.25 -5.09 105.19 109.89 3laq n GLY 153 Ca 0.40 -1.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.29 3laq n GLY 153 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3laq s THR 154 N -1.58 0.00 -0.25 2.61 -4.23 -1.26 -2.65 115.64 108.27 3laq s THR 154 Ca 0.00 -1.76 -0.27 0.00 -1.18 0.00 0.00 61.69 58.48 3laq s THR 154 Cb 0.00 -2.49 0.15 0.00 1.34 0.00 0.00 72.50 71.50 3laq s THR 154 CO 0.00 0.00 1.16 0.00 -0.54 0.00 0.00 174.62 175.24 3laq s ALA 155 N -3.64 -2.04 0.28 3.99 0.00 -0.98 -4.81 121.76 114.57 3laq s ALA 155 Ca 0.34 1.76 -0.20 0.00 0.00 0.00 0.00 51.96 53.85 3laq s ALA 155 Cb 0.02 -1.34 0.02 0.00 0.00 0.00 0.00 23.12 21.82 3laq s ALA 155 CO 0.17 -0.22 0.72 0.20 0.00 0.00 0.00 175.76 176.63 3laq s GLY 156 N -0.33 -0.05 -0.08 0.00 0.00 -1.26 -2.14 107.32 103.46 3laq s GLY 156 Ca 0.04 -0.35 -0.08 0.00 0.00 0.00 0.00 44.72 44.33 3laq s GLY 156 CO -0.07 -0.12 0.22 -0.12 0.00 0.00 0.00 173.10 173.02 3laq s PHE 157 N -3.84 -0.23 0.02 1.90 5.36 0.44 -1.19 117.98 120.44 3laq s PHE 157 Ca 0.12 0.54 -0.06 0.00 -0.96 0.00 0.00 56.93 56.57 3laq s PHE 157 Cb -0.06 0.08 -0.00 0.00 -0.34 0.00 0.00 43.02 42.69 3laq s PHE 157 CO 0.07 -0.14 0.11 -3.38 -1.46 0.00 0.00 175.22 170.43 3laq s HIS 158 N -0.03 0.11 0.40 10.12 -3.43 -0.43 -0.52 115.29 121.52 3laq s HIS 158 Ca -0.01 -0.29 0.04 0.00 -0.80 0.00 0.00 55.06 53.99 3laq s HIS 158 Cb -0.02 -0.09 -0.04 0.00 -1.43 0.00 0.00 32.58 30.99 3laq s HIS 158 CO 0.01 -0.31 0.06 0.45 -2.00 0.00 0.00 174.74 172.95 3laq s SER 159 N -1.65 3.02 0.28 7.38 0.15 0.15 -0.45 113.70 122.58 3laq s SER 159 Ca -0.12 -1.52 0.00 0.00 0.70 0.00 0.00 55.95 55.02 3laq s SER 159 Cb -0.06 0.16 0.50 0.00 -1.71 0.00 0.00 66.02 64.91 3laq s SER 159 CO -0.01 -0.73 1.88 -1.13 1.20 0.00 0.00 173.24 174.45 3laq h ASN 160 N 1.83 0.96 0.08 5.45 -1.24 -1.91 -3.21 115.58 117.53 3laq h ASN 160 Ca -0.40 0.02 -0.31 0.00 0.71 0.00 0.00 56.30 56.32 3laq h ASN 160 Cb 1.27 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 40.11 3laq h ASN 160 CO 0.68 0.58 -1.65 1.56 -1.29 0.00 0.00 177.43 177.31 3laq h GLN 161 N 1.07 0.17 -6.15 6.67 1.08 -1.95 -3.49 115.11 112.51 3laq h GLN 161 Ca 0.44 -0.30 -0.54 0.00 -1.45 0.00 0.00 58.65 56.80 3laq h GLN 161 Cb 0.29 0.11 -0.08 0.00 -0.05 0.00 0.00 27.48 27.75 3laq h GLN 161 CO -0.19 1.14 -0.57 0.95 -0.95 0.00 0.00 178.83 179.21 3laq s THR 162 N -2.48 3.36 -0.03 -0.54 -4.23 -1.21 -3.78 115.64 106.72 3laq s THR 162 Ca -0.24 -1.73 -0.06 0.00 -1.18 0.00 0.00 61.69 58.48 3laq s THR 162 Cb 0.06 -2.98 0.01 0.00 1.34 0.00 0.00 72.50 70.93 3laq s THR 162 CO 0.71 -0.27 0.14 0.12 -0.54 0.00 0.00 174.62 174.78 3laq s PHE 163 N -2.35 -0.07 -0.07 3.99 5.36 0.12 0.30 117.98 125.27 3laq s PHE 163 Ca 0.35 0.17 -0.04 0.00 -0.96 0.00 0.00 56.93 56.45 3laq s PHE 163 Cb -0.05 0.01 0.03 0.00 -0.34 0.00 0.00 43.02 42.67 3laq s PHE 163 CO 0.22 -0.17 0.16 -1.01 -1.46 0.00 0.00 175.22 172.96 3laq s HIS 164 N -0.54 -0.18 -0.07 10.12 3.76 0.33 -1.83 115.29 126.88 3laq s HIS 164 Ca -0.06 0.48 -0.12 0.00 -0.15 0.00 0.00 55.06 55.20 3laq s HIS 164 Cb -0.04 -0.02 0.03 0.00 1.11 0.00 0.00 32.58 33.66 3laq s HIS 164 CO 0.01 -0.14 0.30 0.12 -0.85 0.00 0.00 174.74 174.18 3laq s PHE 165 N 0.77 -0.26 -0.01 1.40 2.19 -1.02 -0.42 117.98 120.63 3laq s PHE 165 Ca -0.06 0.56 0.01 0.00 0.33 0.00 0.00 56.93 57.77 3laq s PHE 165 Cb -0.07 0.10 0.01 0.00 -1.31 0.00 0.00 43.02 41.74 3laq s PHE 165 CO -0.04 -0.26 -0.04 -1.17 1.83 0.00 0.00 175.22 175.54 3laq s LEU 166 N -0.52 1.77 -0.12 6.12 2.96 -0.91 -0.79 118.68 127.18 3laq s LEU 166 Ca -0.06 -0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3laq s LEU 166 Cb -0.04 -0.25 0.03 0.00 0.50 0.00 0.00 46.19 46.44 3laq s LEU 166 CO 0.02 0.01 -0.04 -0.75 -1.32 0.00 0.00 176.35 174.28 3laq s LYS 167 N 0.22 1.15 -0.24 1.98 2.20 0.66 -2.31 119.74 123.41 3laq s LYS 167 Ca -0.02 -0.24 -0.08 0.00 -0.36 0.00 0.00 55.97 55.27 3laq s LYS 167 Cb -0.05 -1.58 -0.03 0.00 -1.51 0.00 0.00 37.83 34.65 3laq s LYS 167 CO -0.00 -0.36 0.08 0.00 -0.36 0.00 0.00 175.35 174.71 3laq n ASN 170 N -0.79 2.29 -3.65 0.00 0.23 -1.26 -1.73 115.26 110.35 3laq n ASN 170 Ca -0.05 -2.40 -0.06 0.00 -0.53 0.00 0.00 54.58 51.54 3laq n ASN 170 Cb 0.64 -0.45 -0.07 0.00 -2.08 0.00 0.00 39.78 37.82 3laq n ASN 170 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 3laq s TYR 171 N -3.75 -1.07 -0.02 -2.53 1.13 -1.26 -5.06 117.35 104.78 3laq s TYR 171 Ca 0.32 2.03 -0.02 0.00 -1.41 0.00 0.00 57.07 57.99 3laq s TYR 171 Cb 0.34 0.61 -0.01 0.00 -1.10 0.00 0.00 41.96 41.80 3laq s TYR 171 CO -0.02 -0.55 0.07 2.41 -2.51 0.00 0.00 175.55 174.95 3laq n THR 172 N 4.79 0.00 -3.21 -3.49 -1.04 -1.26 -2.55 114.28 107.52 3laq n THR 172 Ca -0.17 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.62 3laq n THR 172 Cb 0.54 -0.02 0.05 0.00 -1.82 0.00 0.00 70.33 69.09 3laq n THR 172 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3laq n HIS 173 N 0.16 -2.26 -1.83 -1.42 8.25 0.14 -4.90 115.22 113.36 3laq n HIS 173 Ca 0.01 0.69 -0.40 0.00 -0.26 0.00 0.00 57.72 57.76 3laq n HIS 173 Cb -0.00 -4.65 -0.01 0.00 1.12 0.00 0.00 29.99 26.45 3laq n HIS 173 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3laq n ASN 175 N 2.44 -2.60 -4.94 0.00 2.04 -1.26 -4.82 115.26 106.12 3laq n ASN 175 Ca 0.65 -2.13 -0.19 0.00 -0.44 0.00 0.00 54.58 52.47 3laq n ASN 175 Cb 0.25 1.33 -0.01 0.00 -2.53 0.00 0.00 39.78 38.82 3laq n ASN 175 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 3laq s GLY 176 N 0.79 2.05 0.00 4.83 0.00 -1.26 -4.71 107.32 109.01 3laq s GLY 176 Ca 0.27 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 43.21 3laq s GLY 176 CO -0.08 -1.60 0.00 0.61 0.00 0.00 0.00 173.10 172.03 3laq n GLY 177 N -1.68 0.00 0.70 0.20 0.00 -1.26 -4.12 105.19 99.03 3laq n GLY 177 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 3laq n GLY 177 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3laq n PRO 178 N 0.00 0.00 -2.34 1.61 -0.01 -1.26 -4.76 135.00 128.24 3laq n PRO 178 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 63.50 63.10 3laq n PRO 178 Cb 0.00 -0.21 -0.03 0.00 -0.01 0.00 0.00 33.50 33.25 3laq n PRO 178 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 175.50 175.63 3laq s VAL 179 N 0.00 3.59 -0.99 -1.45 -7.23 -1.26 -4.93 120.40 108.13 3laq s VAL 179 Ca 0.21 0.21 -0.26 0.00 -1.81 0.00 0.00 61.98 60.32 3laq s VAL 179 Cb -0.13 -4.53 -0.18 0.00 0.56 0.00 0.00 36.38 32.10 3laq s VAL 179 CO 0.09 -1.47 2.19 -0.76 -0.31 0.00 0.00 175.10 174.83 3laq s LEU 180 N 7.13 2.59 0.00 1.32 1.43 -1.26 -4.94 118.68 124.96 3laq s LEU 180 Ca 0.49 -0.70 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 3laq s LEU 180 Cb -0.09 -2.58 0.14 0.00 0.03 0.00 0.00 46.19 43.69 3laq s LEU 180 CO 0.14 -4.30 0.96 -0.90 0.23 0.00 0.00 176.35 172.48 3laq n ASP 181 N 18.80 1.42 0.08 2.29 3.85 -1.26 -4.97 116.55 136.76 3laq n ASP 181 Ca 0.43 -2.17 -0.11 0.00 -0.71 0.00 0.00 54.79 52.24 3laq n ASP 181 Cb 0.46 -0.61 -0.07 0.00 -1.35 0.00 0.00 41.12 39.55 3laq n ASP 181 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 3laq h LEU 182 N 0.00 -0.24 -0.98 -2.12 5.85 -1.98 -2.83 115.31 113.01 3laq h LEU 182 Ca -0.32 -0.28 0.31 0.00 0.84 0.00 0.00 57.88 58.43 3laq h LEU 182 Cb 1.20 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.23 3laq h LEU 182 CO 0.35 0.28 0.67 1.67 -0.34 0.00 0.00 178.44 181.07 3laq n GLN 183 N -4.97 -0.01 0.00 1.25 -0.06 -1.26 0.01 117.38 112.34 3laq n GLN 183 Ca -0.08 0.70 0.07 0.00 -2.00 0.00 0.00 57.00 55.69 3laq n GLN 183 Cb 0.26 -1.48 0.30 0.00 -4.06 0.00 0.00 30.24 25.26 3laq n GLN 183 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 3laq n SER 184 N -3.54 0.00 -4.53 1.69 7.64 -1.07 -4.73 113.62 109.08 3laq n SER 184 Ca 0.25 0.48 -0.34 0.00 1.01 0.00 0.00 58.87 60.27 3laq n SER 184 Cb 1.05 -0.49 -0.12 0.00 -1.01 0.00 0.00 64.21 63.65 3laq n SER 184 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3laq s PHE 185 N -2.98 3.01 0.01 1.43 0.08 0.10 -5.02 117.98 114.61 3laq s PHE 185 Ca 0.07 -0.20 -0.30 0.00 0.12 0.00 0.00 56.93 56.62 3laq s PHE 185 Cb 0.09 -1.88 -0.06 0.00 -0.57 0.00 0.00 43.02 40.60 3laq s PHE 185 CO 0.25 0.09 1.44 -1.25 -0.10 0.00 0.00 175.22 175.64 3laq s PRO 186 N -0.02 4.27 0.04 0.24 0.04 -1.26 -4.52 135.00 133.79 3laq s PRO 186 Ca 0.01 2.02 -0.34 0.00 0.04 0.00 0.00 61.00 62.73 3laq s PRO 186 Cb -0.13 -3.57 -0.13 0.00 0.04 0.00 0.00 34.50 30.71 3laq s PRO 186 CO 0.03 -0.59 1.71 -2.30 0.04 0.00 0.00 177.00 175.88 3laq n PRO 187 N 5.36 2.11 0.07 0.56 -0.02 -1.26 -2.68 135.00 139.13 3laq n PRO 187 Ca 0.13 0.77 0.13 0.00 -2.02 0.00 0.00 63.50 62.51 3laq n PRO 187 Cb 0.43 -2.56 0.40 0.00 -0.02 0.00 0.00 33.50 31.75 3laq n PRO 187 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3laq n ASN 188 N 4.86 0.61 0.00 2.55 6.94 -0.31 -4.93 115.26 124.98 3laq n ASN 188 Ca 0.20 0.44 0.00 0.00 -0.02 0.00 0.00 54.58 55.20 3laq n ASN 188 Cb 0.28 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 37.18 3laq n ASN 188 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3laq n GLY 189 N 1.36 1.59 3.87 4.83 0.00 -1.26 -5.08 105.19 110.50 3laq n GLY 189 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3laq n GLY 189 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3laq s PHE 190 N -2.24 2.94 -0.00 1.61 0.08 -1.26 -4.96 117.98 114.15 3laq s PHE 190 Ca 0.00 0.87 -0.10 0.00 0.12 0.00 0.00 56.93 57.82 3laq s PHE 190 Cb 0.00 -3.35 0.01 0.00 -0.57 0.00 0.00 43.02 39.11 3laq s PHE 190 CO 0.00 -1.76 0.20 -0.65 -0.10 0.00 0.00 175.22 172.91 3laq s GLN 191 N -5.44 0.56 0.06 0.44 -0.21 -1.26 -2.08 119.66 111.74 3laq s GLN 191 Ca 0.61 -0.34 -0.03 0.00 0.02 0.00 0.00 55.36 55.62 3laq s GLN 191 Cb -0.12 0.24 -0.03 0.00 1.00 0.00 0.00 33.01 34.10 3laq s GLN 191 CO 0.51 -0.14 0.03 0.00 -2.12 0.00 0.00 175.29 173.56 3laq s TYR 193 N -3.92 2.59 0.40 0.00 2.02 -1.26 -1.15 117.35 116.03 3laq s TYR 193 Ca 0.08 0.33 -0.17 0.00 -0.37 0.00 0.00 57.07 56.93 3laq s TYR 193 Cb 0.07 -4.49 -0.09 0.00 -0.40 0.00 0.00 41.96 37.04 3laq s TYR 193 CO -0.09 -1.62 0.86 0.45 -1.57 0.00 0.00 175.55 173.57 3laq s SER 194 N 3.04 6.79 -0.30 2.29 0.15 -0.78 -3.83 113.70 121.06 3laq s SER 194 Ca 0.41 1.47 -0.26 0.00 0.70 0.00 0.00 55.95 58.27 3laq s SER 194 Cb -0.08 -2.45 0.20 0.00 -1.71 0.00 0.00 66.02 61.98 3laq s SER 194 CO 0.24 -0.34 1.46 0.00 1.20 0.00 0.00 173.24 175.80 3laq s GLU 196 N -0.25 0.30 0.00 0.00 2.56 -1.26 -2.62 118.70 117.43 3laq s GLU 196 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.97 55.07 3laq s GLU 196 Cb -0.04 0.06 0.00 0.00 2.00 0.00 0.00 34.13 36.15 3laq s GLU 196 CO -0.15 -0.47 0.00 0.41 -0.56 0.00 0.00 175.26 174.50 3laq n GLY 197 N 4.35 0.35 0.00 -1.50 0.00 -1.26 -5.03 105.19 102.09 3laq n GLY 197 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3laq n GLY 197 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3laq n ASN 198 N 0.00 0.00 0.00 1.61 5.03 -1.26 -4.93 115.26 115.71 3laq n ASN 198 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3laq n ASN 198 Cb 0.09 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.85 3laq n ASN 198 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3laq n ASN 199 N 0.00 0.00 -1.19 6.41 4.05 -1.26 -4.76 115.26 118.51 3laq n ASN 199 Ca 0.00 0.00 0.11 0.00 0.45 0.00 0.00 54.58 55.14 3laq n ASN 199 Cb 0.00 0.00 0.27 0.00 1.23 0.00 0.00 39.78 41.28 3laq n ASN 199 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 3laq n THR 200 N 0.00 0.86 -3.72 -0.44 -2.24 -1.26 -3.05 114.28 104.44 3laq n THR 200 Ca 0.00 -0.93 -0.14 0.00 -2.27 0.00 0.00 64.05 60.71 3laq n THR 200 Cb 0.00 0.63 -0.09 0.00 -2.10 0.00 0.00 70.33 68.77 3laq n THR 200 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 3laq s LEU 201 N -1.11 0.34 0.00 3.22 2.34 -1.26 -4.69 118.68 117.51 3laq s LEU 201 Ca 0.42 0.74 0.00 0.00 0.06 0.00 0.00 54.13 55.35 3laq s LEU 201 Cb 0.23 1.55 0.00 0.00 -0.56 0.00 0.00 46.19 47.41 3laq s LEU 201 CO 0.30 -0.24 0.00 0.61 -1.06 0.00 0.00 176.35 175.96 3laq n GLY 202 N 2.43 1.91 2.14 -3.48 0.00 -1.26 -4.54 105.19 102.38 3laq n GLY 202 Ca -0.15 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.03 3laq n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3laq n SER 204 N -1.04 0.00 -0.15 0.00 3.41 -1.17 -4.61 113.62 110.06 3laq n SER 204 Ca 0.57 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 59.27 3laq n SER 204 Cb 1.21 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 65.58 3laq n SER 204 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3laq n SER 205 N 0.00 0.43 -1.86 4.04 7.64 -1.26 -4.06 113.62 118.55 3laq n SER 205 Ca 0.00 -1.58 -0.05 0.00 1.01 0.00 0.00 58.87 58.25 3laq n SER 205 Cb 0.00 -0.03 -0.07 0.00 -1.01 0.00 0.00 64.21 63.10 3laq n SER 205 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3laq n GLU 206 N -0.46 1.19 -3.25 1.43 4.07 -1.26 -4.75 120.64 117.61 3laq n GLU 206 Ca 0.12 -0.41 -0.15 0.00 -0.06 0.00 0.00 57.16 56.67 3laq n GLU 206 Cb 0.12 -1.51 0.08 0.00 -0.06 0.00 0.00 31.44 30.07 3laq n GLU 206 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3laq n GLU 207 N 2.12 -5.82 -2.51 5.31 4.71 -1.26 -4.60 120.64 118.59 3laq n GLU 207 Ca 0.17 0.74 -0.42 0.00 -0.01 0.00 0.00 57.16 57.65 3laq n GLU 207 Cb 0.56 -5.45 -0.02 0.00 -1.01 0.00 0.00 31.44 25.52 3laq n GLU 207 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3laq s ALA 208 N -3.31 2.96 0.00 0.62 0.00 -1.26 -4.91 121.76 115.86 3laq s ALA 208 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3laq s ALA 208 Cb -0.01 -4.04 0.00 0.00 0.00 0.00 0.00 23.12 19.08 3laq s ALA 208 CO 0.64 -2.69 0.00 0.43 0.00 0.00 0.00 175.76 174.14 3laq n SER 209 N 8.76 0.00 -4.86 0.00 7.64 -1.23 -4.27 113.62 119.67 3laq n SER 209 Ca 0.11 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.65 3laq n SER 209 Cb 0.49 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.63 3laq n SER 209 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3laq s LEU 210 N 0.00 4.23 -0.04 -3.43 1.98 -1.26 -1.87 118.68 118.29 3laq s LEU 210 Ca 0.00 1.06 -0.04 0.00 -2.89 0.00 0.00 54.13 52.25 3laq s LEU 210 Cb 0.00 -3.57 0.01 0.00 0.66 0.00 0.00 46.19 43.29 3laq s LEU 210 CO 0.00 -0.01 0.12 0.27 -1.89 0.00 0.00 176.35 174.84 3laq s ILE 211 N -1.68 0.01 0.16 6.68 -4.36 -0.30 -4.78 121.20 116.93 3laq s ILE 211 Ca 0.44 -0.09 -0.30 0.00 -0.26 0.00 0.00 60.65 60.44 3laq s ILE 211 Cb -0.13 -0.21 -0.07 0.00 1.25 0.00 0.00 42.46 43.30 3laq s ILE 211 CO 0.20 -0.05 0.98 0.20 0.24 0.00 0.00 174.94 176.51 3laq s ASN 212 N -0.11 7.50 0.44 4.36 0.01 -1.26 -0.49 114.94 125.38 3laq s ASN 212 Ca -0.02 1.90 -0.09 0.00 -0.71 0.00 0.00 52.86 53.94 3laq s ASN 212 Cb -0.02 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 38.99 3laq s ASN 212 CO 0.00 -0.03 0.79 0.00 -1.51 0.00 0.00 177.10 176.36 3laq s ARG 214 N -4.21 1.93 2.86 0.00 0.52 -1.26 -1.16 118.95 117.64 3laq s ARG 214 Ca 0.50 -2.12 0.00 0.00 -0.52 0.00 0.00 55.73 53.59 3laq s ARG 214 Cb -0.10 -1.41 0.00 0.00 0.52 0.00 0.00 34.95 33.96 3laq s ARG 214 CO 0.37 -0.15 0.00 0.41 0.02 0.00 0.00 175.30 175.95 3laq n GLY 215 N -0.95 2.53 1.04 -3.53 0.00 -1.09 -2.01 105.19 101.17 3laq n GLY 215 Ca -0.07 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 45.83 3laq n GLY 215 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3laq n PRO 216 N 14.00 2.57 -3.50 1.61 -0.04 -1.26 -4.69 135.00 143.69 3laq n PRO 216 Ca 0.00 -1.33 -0.42 0.00 -0.04 0.00 0.00 63.50 61.71 3laq n PRO 216 Cb 0.00 -1.76 -0.07 0.00 -0.04 0.00 0.00 33.50 31.63 3laq n PRO 216 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3laq s MET 217 N -1.74 2.85 -0.04 0.54 -1.94 -0.85 -4.37 119.30 113.75 3laq s MET 217 Ca 0.23 -2.11 0.06 0.00 -1.71 0.00 0.00 55.69 52.16 3laq s MET 217 Cb 0.17 -4.06 0.10 0.00 2.01 0.00 0.00 34.83 33.05 3laq s MET 217 CO 0.08 -1.23 0.96 0.27 -0.01 0.00 0.00 175.02 175.09 3laq n ASN 218 N 4.39 1.22 -4.74 3.03 0.23 -0.89 -4.25 115.26 114.25 3laq n ASN 218 Ca 0.01 -2.18 -0.34 0.00 -0.53 0.00 0.00 54.58 51.53 3laq n ASN 218 Cb 0.42 -0.20 -0.08 0.00 -2.08 0.00 0.00 39.78 37.84 3laq n ASN 218 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 3laq s GLN 219 N -1.17 3.04 0.18 -3.83 -1.52 -0.43 -4.58 119.66 111.35 3laq s GLN 219 Ca 0.11 -0.42 -0.09 0.00 -1.95 0.00 0.00 55.36 53.00 3laq s GLN 219 Cb 0.09 -2.85 -0.07 0.00 -0.22 0.00 0.00 33.01 29.97 3laq s GLN 219 CO 0.01 0.69 0.49 0.00 -0.25 0.00 0.00 175.29 176.23 3laq s LEU 221 N -2.51 1.45 0.18 0.00 0.20 -0.64 -2.52 118.68 114.84 3laq s LEU 221 Ca 0.42 0.08 0.06 0.00 0.69 0.00 0.00 54.13 55.39 3laq s LEU 221 Cb -0.12 0.07 -0.04 0.00 -0.43 0.00 0.00 46.19 45.67 3laq s LEU 221 CO 0.21 -0.07 0.10 -0.69 -0.29 0.00 0.00 176.35 175.61 3laq s VAL 222 N 0.54 4.22 -0.04 1.68 1.01 -0.36 -1.79 120.40 125.67 3laq s VAL 222 Ca -0.04 -1.25 -0.14 0.00 0.00 0.00 0.00 61.98 60.55 3laq s VAL 222 Cb -0.06 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 33.18 3laq s VAL 222 CO -0.02 -0.15 0.31 0.00 0.00 0.00 0.00 175.10 175.25 3laq s ALA 223 N -1.81 -0.79 -0.09 5.51 0.00 0.29 -1.81 121.76 123.05 3laq s ALA 223 Ca 0.30 0.45 -0.09 0.00 0.00 0.00 0.00 51.96 52.62 3laq s ALA 223 Cb -0.09 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.00 3laq s ALA 223 CO 0.22 -0.24 0.26 0.99 0.00 0.00 0.00 175.76 176.99 3laq s THR 224 N -1.02 0.01 -0.22 0.00 2.01 -1.00 -1.92 115.64 113.50 3laq s THR 224 Ca -0.11 -0.05 -0.03 0.00 0.31 0.00 0.00 61.69 61.81 3laq s THR 224 Cb -0.05 -0.39 0.11 0.00 0.01 0.00 0.00 72.50 72.18 3laq s THR 224 CO 0.03 -0.03 0.26 -0.83 -0.69 0.00 0.00 174.62 173.37 3laq s GLY 225 N 0.01 -0.11 0.49 4.40 0.00 0.07 -2.84 107.32 109.34 3laq s GLY 225 Ca -0.01 0.38 -0.21 0.00 0.00 0.00 0.00 44.72 44.87 3laq s GLY 225 CO 0.01 2.31 1.14 -2.27 0.00 0.00 0.00 173.10 174.28 3laq s LEU 226 N 2.38 3.90 0.00 0.66 1.98 -1.26 -2.60 118.68 123.74 3laq s LEU 226 Ca 0.08 2.22 0.00 0.00 -2.89 0.00 0.00 54.13 53.54 3laq s LEU 226 Cb -0.16 -4.40 0.00 0.00 0.66 0.00 0.00 46.19 42.29 3laq s LEU 226 CO -0.14 -1.02 0.00 -0.67 -1.89 0.00 0.00 176.35 172.63 3laq n ASP 227 N -0.84 0.00 -0.21 3.68 2.03 -1.26 -4.58 116.55 115.37 3laq n ASP 227 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 3laq n ASP 227 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 3laq n ASP 227 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3laq n VAL 228 N -0.92 0.00 0.00 5.18 0.31 -1.26 -5.01 118.33 116.63 3laq n VAL 228 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3laq n VAL 228 Cb 0.00 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 3laq n VAL 228 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3laq n ARG 232 N -0.26 0.00 -2.99 5.55 1.74 -1.26 -5.29 116.66 114.15 3laq n ARG 232 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 3laq n ARG 232 Cb 0.22 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.62 3laq n ARG 232 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3laq s SER 233 N -0.93 6.95 -0.03 0.55 0.15 -1.26 -4.56 113.70 114.57 3laq s SER 233 Ca 0.00 1.16 0.01 0.00 0.70 0.00 0.00 55.95 57.81 3laq s SER 233 Cb 0.00 -2.42 0.02 0.00 -1.71 0.00 0.00 66.02 61.91 3laq s SER 233 CO 0.00 -0.23 -0.01 -0.47 1.20 0.00 0.00 173.24 173.73 3laq s TYR 234 N 1.37 0.41 -0.09 3.44 5.04 -1.07 -4.80 117.35 121.65 3laq s TYR 234 Ca 0.37 -0.05 -0.07 0.00 -2.44 0.00 0.00 57.07 54.88 3laq s TYR 234 Cb -0.17 -0.44 0.03 0.00 0.35 0.00 0.00 41.96 41.72 3laq s TYR 234 CO 0.16 -0.13 0.23 0.95 -1.34 0.00 0.00 175.55 175.42 3laq s THR 235 N 0.88 -0.01 -0.05 4.34 -4.23 -1.26 -0.75 115.64 114.56 3laq s THR 235 Ca -0.10 0.03 0.05 0.00 -1.18 0.00 0.00 61.69 60.50 3laq s THR 235 Cb -0.13 -0.34 -0.01 0.00 1.34 0.00 0.00 72.50 73.37 3laq s THR 235 CO -0.01 0.01 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.17 3laq s VAL 236 N 0.35 1.79 -0.00 2.29 1.01 -0.81 -4.57 120.40 120.46 3laq s VAL 236 Ca -0.02 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.05 3laq s VAL 236 Cb -0.03 -1.52 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 3laq s VAL 236 CO -0.01 0.50 -0.03 0.00 0.00 0.00 0.00 175.10 175.56 3laq s ARG 237 N -0.07 0.24 0.00 2.72 1.70 -1.08 0.10 118.95 122.57 3laq s ARG 237 Ca -0.04 -0.10 0.00 0.00 -0.47 0.00 0.00 55.73 55.12 3laq s ARG 237 Cb -0.13 -0.24 0.00 0.00 -0.57 0.00 0.00 34.95 34.01 3laq s ARG 237 CO 0.03 0.06 0.00 0.41 -1.08 0.00 0.00 175.30 174.72 3laq n GLY 238 N 3.06 1.31 3.71 3.88 0.00 -0.74 -1.40 105.19 115.02 3laq n GLY 238 Ca -0.13 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 3laq n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3laq s ALA 240 N -0.21 1.09 0.51 0.00 0.00 0.14 -1.31 121.76 121.98 3laq s ALA 240 Ca 0.08 -1.21 -0.18 0.00 0.00 0.00 0.00 51.96 50.66 3laq s ALA 240 Cb -0.12 0.05 -0.07 0.00 0.00 0.00 0.00 23.12 22.98 3laq s ALA 240 CO 0.01 -0.07 1.01 0.99 0.00 0.00 0.00 175.76 177.70 3laq s THR 241 N -2.60 4.17 0.40 0.00 2.01 -0.33 -1.31 115.64 117.98 3laq s THR 241 Ca 0.06 1.15 0.31 0.00 0.31 0.00 0.00 61.69 63.53 3laq s THR 241 Cb -0.02 -3.56 0.33 0.00 0.01 0.00 0.00 72.50 69.27 3laq s THR 241 CO -0.01 -0.48 2.11 0.00 -0.69 0.00 0.00 174.62 175.54 3laq h ALA 242 N 1.10 1.19 -0.19 7.40 0.00 -1.91 -2.01 119.26 124.84 3laq h ALA 242 Ca -0.48 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3laq h ALA 242 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3laq h ALA 242 CO 0.60 0.10 0.00 -1.13 0.00 0.00 0.00 179.25 178.82 3laq n SER 243 N -3.46 2.73 -0.53 0.00 3.41 -1.26 -3.30 113.62 111.21 3laq n SER 243 Ca -0.02 -1.80 0.11 0.00 -0.26 0.00 0.00 58.87 56.90 3laq n SER 243 Cb 0.22 -0.12 0.39 0.00 -0.26 0.00 0.00 64.21 64.44 3laq n SER 243 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 3laq n TRP 244 N 0.96 0.19 1.02 7.33 -0.00 -0.76 -3.88 117.44 122.30 3laq n TRP 244 Ca 0.12 -0.09 0.11 0.00 -0.00 0.00 0.00 57.50 57.64 3laq n TRP 244 Cb 0.45 0.00 0.03 0.00 -0.00 0.00 0.00 31.31 31.79 3laq n TRP 244 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3laq s GLN 246 N -2.90 0.87 1.99 0.00 -2.07 -1.25 -4.97 119.66 111.33 3laq s GLN 246 Ca 0.11 -1.38 0.00 0.00 -1.82 0.00 0.00 55.36 52.27 3laq s GLN 246 Cb 0.17 -0.06 0.00 0.00 -1.09 0.00 0.00 33.01 32.03 3laq s GLN 246 CO 0.76 -0.11 0.00 0.41 -1.32 0.00 0.00 175.29 175.04 3laq n GLY 247 N -0.07 -1.24 0.11 2.60 0.00 -1.26 -4.62 105.19 100.71 3laq n GLY 247 Ca -0.10 -1.25 -0.04 0.00 0.00 0.00 0.00 46.02 44.62 3laq n GLY 247 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3laq h SER 248 N 0.00 -0.24 0.00 1.61 0.87 -1.95 -3.43 113.55 110.41 3laq h SER 248 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3laq h SER 248 Cb 0.00 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3laq h SER 248 CO 0.00 -0.14 0.00 1.41 -0.53 0.00 0.00 176.83 177.57 3laq n HIS 249 N -2.91 0.00 -0.20 2.24 -0.00 -1.26 0.56 115.22 113.66 3laq n HIS 249 Ca -0.03 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.69 3laq n HIS 249 Cb 0.11 0.00 0.11 0.00 -0.00 0.00 0.00 29.99 30.21 3laq n HIS 249 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 3laq h VAL 250 N 0.00 0.60 -0.25 1.59 3.04 -1.82 -2.67 116.25 116.73 3laq h VAL 250 Ca 0.00 -0.07 0.02 0.00 -1.01 0.00 0.00 66.70 65.64 3laq h VAL 250 Cb 0.00 0.37 -0.03 0.00 -2.01 0.00 0.00 31.29 29.62 3laq h VAL 250 CO 0.00 0.04 -0.16 0.00 -1.01 0.00 0.00 177.57 176.44 3laq h ALA 251 N 1.50 -0.20 -0.02 3.17 0.00 -0.18 0.77 119.26 124.30 3laq h ALA 251 Ca 0.31 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 3laq h ALA 251 Cb 0.48 1.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 3laq h ALA 251 CO -0.44 -0.31 -0.10 -0.40 0.00 0.00 0.00 179.25 178.00 3laq n ASP 252 N -3.60 5.37 0.12 0.00 3.85 -1.02 -3.46 116.55 117.81 3laq n ASP 252 Ca 0.00 -2.46 0.03 0.00 -0.71 0.00 0.00 54.79 51.65 3laq n ASP 252 Cb 0.08 -1.22 0.01 0.00 -1.35 0.00 0.00 41.12 38.63 3laq n ASP 252 CO 0.00 0.00 0.00 -1.28 -1.01 0.00 0.00 177.20 174.91 3laq h SER 253 N 1.66 0.00 -1.46 -1.12 0.87 0.67 -3.49 113.55 110.69 3laq h SER 253 Ca 0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3laq h SER 253 Cb 1.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 3laq h SER 253 CO 0.11 0.47 0.00 2.22 -0.53 0.00 0.00 176.83 179.10 3laq n PHE 254 N -3.12 -0.06 -0.84 2.24 1.16 -1.23 -4.91 117.46 110.71 3laq n PHE 254 Ca -0.01 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.25 3laq n PHE 254 Cb 0.74 0.00 0.13 0.00 -1.61 0.00 0.00 39.48 38.74 3laq n PHE 254 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 3laq n PRO 255 N 0.00 -0.23 -1.72 3.97 -0.02 -1.26 -4.96 135.00 130.77 3laq n PRO 255 Ca 0.00 -0.01 -0.39 0.00 -2.02 0.00 0.00 63.50 61.08 3laq n PRO 255 Cb 0.00 -2.08 0.04 0.00 -0.02 0.00 0.00 33.50 31.44 3laq n PRO 255 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3laq n THR 256 N -3.66 3.67 -3.90 3.45 5.66 -1.26 -5.00 114.28 113.24 3laq n THR 256 Ca 0.09 -0.50 -0.09 0.00 -3.05 0.00 0.00 64.05 60.50 3laq n THR 256 Cb 0.52 -1.60 -0.05 0.00 -1.55 0.00 0.00 70.33 67.65 3laq n THR 256 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3laq s HIS 257 N -1.30 0.22 -0.27 1.09 3.76 -1.26 -5.05 115.29 112.48 3laq s HIS 257 Ca 0.71 -0.58 -0.09 0.00 -0.15 0.00 0.00 55.06 54.95 3laq s HIS 257 Cb -0.43 0.16 -0.03 0.00 1.11 0.00 0.00 32.58 33.39 3laq s HIS 257 CO 0.50 -0.86 0.12 -0.51 -0.85 0.00 0.00 174.74 173.15 3laq s LEU 258 N -2.95 3.78 0.00 0.89 1.43 -1.26 -4.69 118.68 115.87 3laq s LEU 258 Ca 0.16 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 3laq s LEU 258 Cb 0.01 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.23 3laq s LEU 258 CO 0.01 -0.09 0.00 -0.46 0.23 0.00 0.00 176.35 176.05 3laq n ASN 259 N 4.98 0.00 -4.78 2.29 0.23 -1.26 -4.81 115.26 111.91 3laq n ASN 259 Ca -0.15 0.00 -0.36 0.00 -0.53 0.00 0.00 54.58 53.54 3laq n ASN 259 Cb 0.51 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.18 3laq n ASN 259 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 3laq s VAL 260 N -0.59 3.52 0.40 3.53 -7.23 -1.26 -5.00 120.40 113.77 3laq s VAL 260 Ca 0.00 1.12 0.04 0.00 -1.81 0.00 0.00 61.98 61.33 3laq s VAL 260 Cb 0.00 -3.55 -0.06 0.00 0.56 0.00 0.00 36.38 33.33 3laq s VAL 260 CO 0.00 -0.04 0.04 -0.94 -0.31 0.00 0.00 175.10 173.85 3laq s SER 261 N -1.57 3.25 -0.05 4.85 1.04 -1.13 -4.91 113.70 115.17 3laq s SER 261 Ca 0.61 -1.46 0.01 0.00 0.48 0.00 0.00 55.95 55.59 3laq s SER 261 Cb -0.23 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 65.90 3laq s SER 261 CO 0.29 -0.64 -0.05 0.68 0.98 0.00 0.00 173.24 174.50 3laq s VAL 262 N -3.01 0.59 -0.21 5.02 -7.23 -1.26 -2.37 120.40 111.93 3laq s VAL 262 Ca 0.29 -0.13 -0.05 0.00 -1.81 0.00 0.00 61.98 60.28 3laq s VAL 262 Cb 0.07 -0.62 -0.02 0.00 0.56 0.00 0.00 36.38 36.37 3laq s VAL 262 CO 0.14 0.25 -0.01 -0.55 -0.31 0.00 0.00 175.10 174.62 3laq s SER 263 N 1.04 4.71 -0.23 4.85 0.15 -0.75 -4.98 113.70 118.49 3laq s SER 263 Ca -0.09 -0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.33 3laq s SER 263 Cb -0.14 -1.81 0.05 0.00 -1.71 0.00 0.00 66.02 62.41 3laq s SER 263 CO -0.01 0.03 -0.13 0.00 1.20 0.00 0.00 173.24 174.34 3laq s HIS 266 N -2.59 1.54 0.00 0.00 2.46 -1.26 -3.79 115.29 111.65 3laq s HIS 266 Ca 0.58 -0.40 0.00 0.00 0.47 0.00 0.00 55.06 55.71 3laq s HIS 266 Cb -0.06 -1.03 0.00 0.00 -0.13 0.00 0.00 32.58 31.35 3laq s HIS 266 CO 0.36 -0.12 0.00 0.41 -2.47 0.00 0.00 174.74 172.92 3laq n GLY 267 N 3.06 3.36 3.68 1.59 0.00 -1.26 -5.01 105.19 110.61 3laq n GLY 267 Ca -0.17 -0.54 -0.45 0.00 0.00 0.00 0.00 46.02 44.86 3laq n GLY 267 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3laq n SER 268 N 0.00 2.87 0.00 1.61 2.88 -1.26 -1.50 113.62 118.22 3laq n SER 268 Ca 0.00 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 3laq n SER 268 Cb 0.00 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.02 3laq n SER 268 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3laq n GLY 269 N 2.23 1.33 0.29 0.46 0.00 0.20 -4.87 105.19 104.82 3laq n GLY 269 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 3laq n GLY 269 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3laq n ASN 271 N -5.09 4.56 -4.75 0.00 0.23 -1.26 -4.87 115.26 104.08 3laq n ASN 271 Ca 0.17 -2.23 -0.41 0.00 -0.53 0.00 0.00 54.58 51.57 3laq n ASN 271 Cb 0.51 -1.01 -0.02 0.00 -2.08 0.00 0.00 39.78 37.18 3laq n ASN 271 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 3laq s SER 272 N 2.03 6.54 0.36 0.53 0.01 -1.10 -4.65 113.70 117.42 3laq s SER 272 Ca 0.11 2.78 0.09 0.00 1.31 0.00 0.00 55.95 60.23 3laq s SER 272 Cb 0.05 -2.63 0.68 0.00 0.21 0.00 0.00 66.02 64.33 3laq s SER 272 CO 0.00 -0.79 1.85 -0.65 0.41 0.00 0.00 173.24 174.06 3laq h PRO 273 N 5.04 0.23 0.00 12.44 0.11 -1.89 -3.51 132.00 144.42 3laq h PRO 273 Ca -0.46 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3laq h PRO 273 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3laq h PRO 273 CO 0.79 0.45 0.00 0.25 -0.21 0.00 0.00 178.00 179.28