#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4q n GLY 21 N 0.00 1.13 3.76 2.92 0.00 0.96 -4.86 105.19 109.10 1s4q n GLY 21 Ca 0.00 0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 1s4q n GLY 21 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s4q s ARG 22 N -1.57 4.52 -0.19 1.61 6.06 -1.26 -4.71 118.95 123.41 1s4q s ARG 22 Ca 0.57 1.88 -0.01 0.00 -2.50 0.00 0.00 55.73 55.67 1s4q s ARG 22 Cb -0.50 -3.10 0.00 0.00 0.06 0.00 0.00 34.95 31.42 1s4q s ARG 22 CO 0.59 0.07 -0.13 0.08 -2.50 0.00 0.00 175.30 173.41 1s4q s VAL 23 N -1.20 2.67 -0.11 7.11 1.01 -1.26 -1.21 120.40 127.41 1s4q s VAL 23 Ca 0.47 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.74 1s4q s VAL 23 Cb -0.33 -2.16 -0.00 0.00 0.00 0.00 0.00 36.38 33.88 1s4q s VAL 23 CO 0.43 0.49 -0.21 -0.69 0.00 0.00 0.00 175.10 175.12 1s4q s VAL 24 N 1.25 2.26 -0.31 2.92 1.01 0.03 -0.57 120.40 126.99 1s4q s VAL 24 Ca 0.03 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 1s4q s VAL 24 Cb -0.14 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.37 1s4q s VAL 24 CO -0.07 0.55 0.09 -0.69 0.00 0.00 0.00 175.10 174.98 1s4q s VAL 25 N 0.44 3.92 -0.21 2.92 1.01 0.51 -1.55 120.40 127.45 1s4q s VAL 25 Ca -0.15 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 60.95 1s4q s VAL 25 Cb -0.17 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1s4q s VAL 25 CO 0.06 0.01 0.09 -0.22 0.00 0.00 0.00 175.10 175.05 1s4q s LEU 26 N 1.48 3.83 0.00 3.92 0.20 0.61 -0.70 118.68 128.02 1s4q s LEU 26 Ca 0.02 0.04 -0.00 0.00 0.69 0.00 0.00 54.13 54.87 1s4q s LEU 26 Cb -0.18 -1.99 0.00 0.00 -0.43 0.00 0.00 46.19 43.59 1s4q s LEU 26 CO 0.03 0.11 0.22 -0.24 -0.29 0.00 0.00 176.35 176.18 1s4q n SER 27 N 3.95 -0.61 0.00 3.68 2.88 -0.26 -2.18 113.62 121.08 1s4q n SER 27 Ca -0.16 -1.92 0.00 0.00 -1.33 0.00 0.00 58.87 55.46 1s4q n SER 27 Cb 0.52 1.17 0.00 0.00 -0.75 0.00 0.00 64.21 65.15 1s4q n SER 27 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s4q n GLY 28 N -0.28 -1.05 3.68 0.46 0.00 -1.26 -0.12 105.19 106.62 1s4q n GLY 28 Ca 0.01 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.32 1s4q n GLY 28 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1s4q n PRO 29 N 0.00 1.53 -1.58 1.61 -0.02 -1.26 -4.66 135.00 130.61 1s4q n PRO 29 Ca 0.00 0.56 -0.51 0.00 -2.02 0.00 0.00 63.50 61.53 1s4q n PRO 29 Cb 0.00 -2.32 -0.05 0.00 -0.02 0.00 0.00 33.50 31.10 1s4q n PRO 29 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1s4q n SER 30 N -0.29 1.39 -1.50 2.55 7.64 -1.26 -2.48 113.62 119.67 1s4q n SER 30 Ca 0.10 1.13 -0.17 0.00 1.01 0.00 0.00 58.87 60.94 1s4q n SER 30 Cb 0.43 -1.19 -0.05 0.00 -1.01 0.00 0.00 64.21 62.39 1s4q n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s4q n ALA 31 N 1.96 -0.33 0.39 -0.43 0.00 -1.26 -4.89 120.51 115.95 1s4q n ALA 31 Ca 0.17 0.23 0.08 0.00 0.00 0.00 0.00 53.44 53.92 1s4q n ALA 31 Cb 0.21 -1.81 0.35 0.00 0.00 0.00 0.00 19.45 18.20 1s4q n ALA 31 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1s4q n VAL 32 N -2.96 1.07 -0.68 0.00 3.14 -1.04 -4.90 118.33 112.96 1s4q n VAL 32 Ca -0.18 0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.50 1s4q n VAL 32 Cb 0.59 -1.15 0.00 0.00 -1.06 0.00 0.00 33.84 32.21 1s4q n VAL 32 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1s4q n GLY 33 N -0.26 0.93 0.18 7.55 0.00 -1.26 -4.87 105.19 107.47 1s4q n GLY 33 Ca 0.02 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 1s4q n GLY 33 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1s4q h LYS 34 N 0.00 0.56 0.00 1.61 3.64 -1.91 -3.35 116.57 117.12 1s4q h LYS 34 Ca 0.00 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.14 1s4q h LYS 34 Cb 0.28 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1s4q h LYS 34 CO 0.00 0.72 -0.24 1.03 -2.27 0.00 0.00 179.45 178.69 1s4q h SER 35 N 0.34 0.00 -0.19 4.20 0.87 -1.99 -2.18 113.55 114.60 1s4q h SER 35 Ca 0.08 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.69 1s4q h SER 35 Cb 0.49 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.40 1s4q h SER 35 CO 0.02 0.24 -0.14 0.74 -0.53 0.00 0.00 176.83 177.16 1s4q h THR 36 N 0.00 0.60 -0.24 2.23 2.02 -2.01 -2.66 112.91 112.84 1s4q h THR 36 Ca -0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1s4q h THR 36 Cb 0.79 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1s4q h THR 36 CO 0.03 0.00 0.04 0.58 0.37 0.00 0.00 175.52 176.54 1s4q h VAL 37 N -0.15 1.22 -0.92 3.16 2.07 -1.57 -2.87 116.25 117.20 1s4q h VAL 37 Ca 0.11 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 66.92 1s4q h VAL 37 Cb 0.31 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 1s4q h VAL 37 CO -0.28 0.24 0.60 0.58 0.02 0.00 0.00 177.57 178.73 1s4q h VAL 38 N 0.20 1.15 0.00 2.57 2.07 -1.40 -0.69 116.25 120.15 1s4q h VAL 38 Ca 0.07 -0.39 -0.17 0.00 0.82 0.00 0.00 66.70 67.03 1s4q h VAL 38 Cb 0.32 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 1s4q h VAL 38 CO 0.00 0.21 -0.81 0.08 0.02 0.00 0.00 177.57 177.08 1s4q h ARG 39 N 1.14 0.00 -0.53 1.57 0.11 -1.43 -2.08 114.38 113.17 1s4q h ARG 39 Ca 0.37 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.44 1s4q h ARG 39 Cb 0.04 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.09 1s4q h ARG 39 CO -0.12 0.81 0.27 0.00 0.10 0.00 0.00 179.97 181.03 1s4q h LEU 41 N 0.70 0.99 -0.37 0.00 3.38 -0.81 -1.73 115.31 117.47 1s4q h LEU 41 Ca 0.18 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 1s4q h LEU 41 Cb 0.08 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1s4q h LEU 41 CO -0.03 0.66 -0.39 0.03 0.09 0.00 0.00 178.44 178.80 1s4q h ARG 42 N 1.14 0.00 0.06 1.13 3.08 -1.05 -1.96 114.38 116.77 1s4q h ARG 42 Ca 0.39 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.20 1s4q h ARG 42 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1s4q h ARG 42 CO -0.13 0.39 -1.09 0.93 -1.07 0.00 0.00 179.97 179.00 1s4q h GLU 43 N 0.00 0.14 0.00 0.04 5.08 -0.98 -3.36 114.58 115.51 1s4q h GLU 43 Ca -0.00 -0.23 -0.19 0.00 -1.00 0.00 0.00 59.36 57.94 1s4q h GLU 43 Cb 1.15 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 1s4q h GLU 43 CO 0.05 1.09 -1.06 0.00 -1.00 0.00 0.00 179.01 178.10 1s4q h ARG 44 N 0.05 0.00 -4.66 2.33 3.08 -1.09 -3.41 114.38 110.68 1s4q h ARG 44 Ca -0.07 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.30 1s4q h ARG 44 Cb 1.82 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 31.51 1s4q h ARG 44 CO 0.16 0.67 -0.67 0.42 -1.07 0.00 0.00 179.97 179.48 1s4q s ILE 45 N -2.79 2.76 0.30 2.04 1.01 -0.76 -5.00 121.20 118.76 1s4q s ILE 45 Ca 0.00 -1.96 0.05 0.00 0.00 0.00 0.00 60.65 58.73 1s4q s ILE 45 Cb 0.09 -2.84 0.08 0.00 0.01 0.00 0.00 42.46 39.80 1s4q s ILE 45 CO 0.80 -0.46 1.75 1.55 0.00 0.00 0.00 174.94 178.58 1s4q h PRO 46 N 7.86 0.39 -0.63 2.79 0.13 -1.81 -2.68 132.00 138.05 1s4q h PRO 46 Ca -0.12 -0.14 -0.09 0.00 -0.87 0.00 0.00 66.00 64.77 1s4q h PRO 46 Cb 1.04 -0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.09 1s4q h PRO 46 CO 0.58 0.63 0.11 0.27 -0.23 0.00 0.00 178.00 179.35 1s4q n ASN 47 N -4.13 5.31 -4.68 1.44 6.94 -1.26 -4.99 115.26 113.90 1s4q n ASN 47 Ca -0.01 -3.06 -0.42 0.00 -0.02 0.00 0.00 54.58 51.07 1s4q n ASN 47 Cb 0.40 -0.71 -0.03 0.00 -2.36 0.00 0.00 39.78 37.08 1s4q n ASN 47 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1s4q s LEU 48 N -2.87 4.38 -0.49 -4.53 2.96 -1.01 -4.50 118.68 112.62 1s4q s LEU 48 Ca 0.55 2.55 -0.26 0.00 -0.22 0.00 0.00 54.13 56.74 1s4q s LEU 48 Cb 0.43 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.59 1s4q s LEU 48 CO 0.15 -0.95 1.00 -2.28 -1.32 0.00 0.00 176.35 172.95 1s4q s HIS 49 N 3.16 2.84 -0.37 5.38 5.65 0.63 -4.99 115.29 127.59 1s4q s HIS 49 Ca 0.78 0.39 -0.23 0.00 0.25 0.00 0.00 55.06 56.25 1s4q s HIS 49 Cb -0.41 -4.15 0.01 0.00 -1.18 0.00 0.00 32.58 26.86 1s4q s HIS 49 CO 0.34 -1.23 0.79 0.12 -0.65 0.00 0.00 174.74 174.11 1s4q s PHE 50 N 4.06 3.10 0.24 3.88 5.36 -1.26 -1.25 117.98 132.11 1s4q s PHE 50 Ca 0.39 0.53 -0.31 0.00 -0.96 0.00 0.00 56.93 56.58 1s4q s PHE 50 Cb -0.10 -3.44 -0.14 0.00 -0.34 0.00 0.00 43.02 39.01 1s4q s PHE 50 CO 0.26 -0.76 1.33 0.45 -1.46 0.00 0.00 175.22 175.04 1s4q n SER 51 N 6.47 2.40 -4.37 6.13 2.88 -0.31 -4.95 113.62 121.87 1s4q n SER 51 Ca 0.03 1.15 -0.40 0.00 -1.33 0.00 0.00 58.87 58.32 1s4q n SER 51 Cb 0.48 -1.38 -0.11 0.00 -0.75 0.00 0.00 64.21 62.45 1s4q n SER 51 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1s4q s VAL 52 N -0.22 4.53 0.48 2.46 1.01 -1.26 -4.91 120.40 122.48 1s4q s VAL 52 Ca 0.68 -0.87 -0.23 0.00 0.00 0.00 0.00 61.98 61.55 1s4q s VAL 52 Cb -0.68 -3.53 -0.07 0.00 0.00 0.00 0.00 36.38 32.10 1s4q s VAL 52 CO 0.52 -0.23 1.25 -0.44 0.00 0.00 0.00 175.10 176.20 1s4q s SER 53 N 1.55 5.90 0.34 3.32 0.01 -1.26 -4.52 113.70 119.03 1s4q s SER 53 Ca 0.02 2.52 -0.26 0.00 1.31 0.00 0.00 55.95 59.54 1s4q s SER 53 Cb -0.19 -2.62 -0.10 0.00 0.21 0.00 0.00 66.02 63.32 1s4q s SER 53 CO 0.06 -1.12 0.96 0.00 0.41 0.00 0.00 173.24 173.56 1s4q s ALA 54 N -1.41 3.18 0.03 1.44 0.00 0.95 -0.66 121.76 125.29 1s4q s ALA 54 Ca 0.65 0.55 -0.05 0.00 0.00 0.00 0.00 51.96 53.11 1s4q s ALA 54 Cb -0.34 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 1s4q s ALA 54 CO 0.42 0.10 0.09 -0.08 0.00 0.00 0.00 175.76 176.29 1s4q s THR 55 N -1.65 0.12 -2.40 0.00 -1.32 0.48 -1.91 115.64 108.96 1s4q s THR 55 Ca 0.52 -0.97 0.25 0.00 -1.21 0.00 0.00 61.69 60.29 1s4q s THR 55 Cb -0.19 -0.68 0.26 0.00 -1.51 0.00 0.00 72.50 70.38 1s4q s THR 55 CO 0.24 -0.53 1.42 0.35 -2.21 0.00 0.00 174.62 173.89 1s4q n THR 56 N 1.07 0.00 -1.40 5.08 -2.24 0.72 -0.84 114.28 116.68 1s4q n THR 56 Ca -0.21 -0.30 -0.29 0.00 -2.27 0.00 0.00 64.05 60.98 1s4q n THR 56 Cb 0.57 0.95 0.14 0.00 -2.10 0.00 0.00 70.33 69.88 1s4q n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s4q s ARG 57 N -2.21 1.20 0.46 -0.78 1.70 -1.26 -4.78 118.95 113.29 1s4q s ARG 57 Ca 0.28 0.51 -0.12 0.00 -0.47 0.00 0.00 55.73 55.93 1s4q s ARG 57 Cb 0.20 -1.83 -0.07 0.00 -0.57 0.00 0.00 34.95 32.68 1s4q s ARG 57 CO 0.41 -2.20 0.86 0.00 -1.08 0.00 0.00 175.30 173.30 1s4q s ALA 58 N -3.12 3.24 0.28 7.88 0.00 -1.26 -4.75 121.76 124.03 1s4q s ALA 58 Ca 0.63 -0.07 -0.30 0.00 0.00 0.00 0.00 51.96 52.22 1s4q s ALA 58 Cb -0.16 -2.87 -0.11 0.00 0.00 0.00 0.00 23.12 19.98 1s4q s ALA 58 CO 0.55 -0.15 1.59 -2.14 0.00 0.00 0.00 175.76 175.62 1s4q s PRO 59 N -4.06 4.13 0.48 0.00 0.02 -1.26 -5.03 135.00 129.29 1s4q s PRO 59 Ca 0.54 2.56 -0.18 0.00 0.02 0.00 0.00 61.00 63.94 1s4q s PRO 59 Cb -0.10 -3.03 -0.09 0.00 0.02 0.00 0.00 34.50 31.30 1s4q s PRO 59 CO 0.33 -0.63 0.97 1.03 -0.33 0.00 0.00 177.00 178.38 1s4q s ARG 60 N -0.39 4.05 0.22 5.54 0.52 -1.26 -5.01 118.95 122.62 1s4q s ARG 60 Ca 0.64 1.02 -0.31 0.00 -0.52 0.00 0.00 55.73 56.55 1s4q s ARG 60 Cb -0.48 -2.15 -0.14 0.00 0.52 0.00 0.00 34.95 32.70 1s4q s ARG 60 CO 0.47 -0.19 1.24 -2.30 0.02 0.00 0.00 175.30 174.54 1s4q n PRO 61 N -1.24 1.57 -0.25 3.54 -0.02 -1.26 -1.97 135.00 135.37 1s4q n PRO 61 Ca 0.07 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1s4q n PRO 61 Cb 0.54 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1s4q n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s4q n GLY 62 N 1.91 1.48 3.86 -1.23 0.00 -1.26 -5.05 105.19 104.91 1s4q n GLY 62 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1s4q n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s4q s GLU 63 N -0.36 3.90 -0.10 1.61 2.02 -0.83 -5.05 118.70 119.89 1s4q s GLU 63 Ca 0.00 0.46 0.01 0.00 0.02 0.00 0.00 54.97 55.46 1s4q s GLU 63 Cb 0.00 -2.59 0.02 0.00 0.10 0.00 0.00 34.13 31.66 1s4q s GLU 63 CO 0.00 0.27 -0.13 0.08 0.02 0.00 0.00 175.26 175.49 1s4q s VAL 64 N -1.85 1.37 0.13 2.63 1.01 -1.26 -4.93 120.40 117.50 1s4q s VAL 64 Ca 0.49 -0.56 -0.31 0.00 0.00 0.00 0.00 61.98 61.60 1s4q s VAL 64 Cb -0.11 -1.27 -0.10 0.00 0.00 0.00 0.00 36.38 34.89 1s4q s VAL 64 CO 0.20 0.42 1.80 -0.62 0.00 0.00 0.00 175.10 176.89 1s4q s ASP 65 N 1.08 6.43 0.00 3.32 2.15 -1.26 -1.00 116.67 127.39 1s4q s ASP 65 Ca -0.05 2.75 0.00 0.00 0.43 0.00 0.00 52.55 55.68 1s4q s ASP 65 Cb -0.15 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 1s4q s ASP 65 CO -0.02 -0.99 0.00 0.61 -0.17 0.00 0.00 175.17 174.60 1s4q n GLY 66 N 4.18 2.30 1.21 2.66 0.00 0.03 -4.87 105.19 110.70 1s4q n GLY 66 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1s4q n GLY 66 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1s4q n VAL 67 N -1.56 0.53 0.01 1.61 0.31 -0.50 -4.83 118.33 113.89 1s4q n VAL 67 Ca 0.00 0.17 -0.21 0.00 -0.01 0.00 0.00 64.34 64.29 1s4q n VAL 67 Cb 0.00 -1.35 -0.14 0.00 -0.91 0.00 0.00 33.84 31.44 1s4q n VAL 67 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1s4q h ASP 68 N 0.00 0.37 -5.25 4.52 3.32 -1.40 -3.47 116.42 114.51 1s4q h ASP 68 Ca 0.00 -0.85 -0.08 0.00 0.02 0.00 0.00 57.03 56.12 1s4q h ASP 68 Cb 0.39 -0.12 -0.11 0.00 0.22 0.00 0.00 39.33 39.71 1s4q h ASP 68 CO 0.00 1.60 -0.22 -0.31 -1.72 0.00 0.00 179.24 178.59 1s4q s TYR 69 N -2.47 0.35 -0.43 4.55 2.02 -1.24 -4.51 117.35 115.61 1s4q s TYR 69 Ca -0.20 -0.70 -0.16 0.00 -0.37 0.00 0.00 57.07 55.64 1s4q s TYR 69 Cb 0.04 0.06 0.03 0.00 -0.40 0.00 0.00 41.96 41.69 1s4q s TYR 69 CO 0.76 -0.83 0.40 -1.01 -1.57 0.00 0.00 175.55 173.30 1s4q s HIS 70 N -3.98 3.19 -0.41 2.71 3.76 0.17 -0.79 115.29 119.95 1s4q s HIS 70 Ca 0.19 -0.53 -0.24 0.00 -0.15 0.00 0.00 55.06 54.33 1s4q s HIS 70 Cb 0.02 -2.89 0.02 0.00 1.11 0.00 0.00 32.58 30.83 1s4q s HIS 70 CO 0.03 -0.71 0.83 -0.06 -0.85 0.00 0.00 174.74 173.98 1s4q s PHE 71 N 1.96 3.04 0.21 1.40 0.08 -1.26 -0.39 117.98 123.02 1s4q s PHE 71 Ca 0.09 0.43 0.06 0.00 0.12 0.00 0.00 56.93 57.64 1s4q s PHE 71 Cb -0.19 -3.61 -0.05 0.00 -0.57 0.00 0.00 43.02 38.60 1s4q s PHE 71 CO 0.11 -0.89 -0.10 0.96 -0.10 0.00 0.00 175.22 175.20 1s4q s ILE 72 N 3.32 1.53 0.50 0.64 -4.36 -0.02 -4.96 121.20 117.85 1s4q s ILE 72 Ca 0.33 -2.15 -0.16 0.00 -0.26 0.00 0.00 60.65 58.42 1s4q s ILE 72 Cb -0.12 -2.12 -0.08 0.00 1.25 0.00 0.00 42.46 41.40 1s4q s ILE 72 CO 0.21 -0.54 0.95 1.51 0.24 0.00 0.00 174.94 177.31 1s4q s ASP 73 N -3.31 6.60 0.32 4.36 1.47 -1.26 -3.94 116.67 120.92 1s4q s ASP 73 Ca 0.23 1.50 0.10 0.00 1.18 0.00 0.00 52.55 55.57 1s4q s ASP 73 Cb 0.01 -2.48 0.93 0.00 -0.34 0.00 0.00 42.92 41.04 1s4q s ASP 73 CO 0.07 -0.56 1.70 -0.65 0.68 0.00 0.00 175.17 176.40 1s4q h PRO 74 N 0.96 0.43 -0.08 2.11 0.11 -1.94 0.16 132.00 133.75 1s4q h PRO 74 Ca -0.47 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 1s4q h PRO 74 Cb 1.18 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1s4q h PRO 74 CO 0.62 0.29 -0.13 1.15 -0.21 0.00 0.00 178.00 179.71 1s4q h THR 75 N 0.44 1.39 -0.59 -1.15 2.02 -1.98 0.72 112.91 113.76 1s4q h THR 75 Ca 0.66 -1.39 -0.04 0.00 0.77 0.00 0.00 66.41 66.41 1s4q h THR 75 Cb 1.36 2.12 -0.03 0.00 -1.74 0.00 0.00 68.15 69.86 1s4q h THR 75 CO -0.54 0.39 0.22 -0.09 0.37 0.00 0.00 175.52 175.87 1s4q h ARG 76 N -0.22 0.87 -0.75 6.66 9.65 -1.78 -0.80 114.38 128.01 1s4q h ARG 76 Ca 0.01 -0.14 -0.04 0.00 -1.10 0.00 0.00 59.98 58.70 1s4q h ARG 76 Cb 0.70 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 29.10 1s4q h ARG 76 CO 0.03 0.73 0.30 0.35 2.80 0.00 0.00 179.97 184.18 1s4q h PHE 77 N 0.86 1.15 -0.87 2.20 3.57 -0.55 -1.97 116.94 121.33 1s4q h PHE 77 Ca 0.20 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1s4q h PHE 77 Cb 0.19 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.55 1s4q h PHE 77 CO 0.01 0.88 0.44 0.37 -2.23 0.00 0.00 178.31 177.78 1s4q h GLN 78 N 1.09 1.24 -0.65 1.11 5.75 -0.30 -0.61 115.11 122.74 1s4q h GLN 78 Ca 0.25 -0.17 0.05 0.00 -0.15 0.00 0.00 58.65 58.63 1s4q h GLN 78 Cb 0.22 -0.23 -0.05 0.00 1.07 0.00 0.00 27.48 28.49 1s4q h GLN 78 CO -0.02 0.94 0.36 1.96 -2.65 0.00 0.00 178.83 179.42 1s4q h GLN 79 N 1.24 0.66 -0.40 1.69 4.20 -0.59 -0.28 115.11 121.63 1s4q h GLN 79 Ca 0.30 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.89 1s4q h GLN 79 Cb 0.09 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1s4q h GLN 79 CO -0.04 0.44 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.40 1s4q h LEU 80 N 0.68 0.76 0.15 1.46 3.38 -0.95 0.87 115.31 121.66 1s4q h LEU 80 Ca 0.29 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1s4q h LEU 80 Cb 0.16 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1s4q h LEU 80 CO -0.17 0.94 -0.36 0.40 0.09 0.00 0.00 178.44 179.34 1s4q h ILE 81 N 0.57 0.24 -0.83 1.22 2.04 -0.86 -1.65 117.51 118.25 1s4q h ILE 81 Ca 0.10 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.02 1s4q h ILE 81 Cb 0.61 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 1s4q h ILE 81 CO 0.04 0.00 0.54 0.44 0.00 0.00 0.00 178.15 179.17 1s4q h ASP 82 N -0.61 0.83 -0.17 1.72 3.32 -0.31 -0.21 116.42 120.99 1s4q h ASP 82 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1s4q h ASP 82 Cb 0.63 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1s4q h ASP 82 CO -0.20 0.55 0.00 0.00 -1.72 0.00 0.00 179.24 177.87 1s4q n GLN 83 N -4.47 1.67 -2.85 3.56 6.02 0.23 -4.91 117.38 116.63 1s4q n GLN 83 Ca 0.12 -0.74 -0.22 0.00 -0.01 0.00 0.00 57.00 56.15 1s4q n GLN 83 Cb 0.18 -1.37 0.02 0.00 1.02 0.00 0.00 30.24 30.09 1s4q n GLN 83 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s4q n GLY 84 N 0.55 -0.52 0.87 1.08 0.00 -0.09 -4.92 105.19 102.15 1s4q n GLY 84 Ca 0.07 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1s4q n GLY 84 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1s4q n GLU 85 N -3.75 2.16 -4.78 1.61 -0.58 -0.64 -4.85 120.64 109.81 1s4q n GLU 85 Ca -0.15 -1.72 -0.33 0.00 -0.42 0.00 0.00 57.16 54.54 1s4q n GLU 85 Cb 0.64 -1.47 -0.14 0.00 -0.57 0.00 0.00 31.44 29.90 1s4q n GLU 85 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1s4q s LEU 86 N -1.71 2.72 0.19 -4.62 2.01 -1.26 -1.57 118.68 114.44 1s4q s LEU 86 Ca 0.34 -0.32 0.02 0.00 0.01 0.00 0.00 54.13 54.18 1s4q s LEU 86 Cb 0.21 -1.61 0.09 0.00 0.01 0.00 0.00 46.19 44.88 1s4q s LEU 86 CO 0.30 0.17 1.45 -0.07 1.01 0.00 0.00 176.35 179.21 1s4q h LEU 87 N 6.66 0.32 -7.20 1.79 3.38 -0.93 -3.46 115.31 115.87 1s4q h LEU 87 Ca -0.26 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 1s4q h LEU 87 Cb 1.21 -0.09 -0.15 0.00 0.09 0.00 0.00 40.66 41.72 1s4q h LEU 87 CO 0.55 0.96 0.05 -1.83 0.09 0.00 0.00 178.44 178.27 1s4q s GLU 88 N -3.48 1.09 0.08 1.13 4.04 -1.24 -3.77 118.70 116.55 1s4q s GLU 88 Ca -0.04 -0.37 -0.19 0.00 0.04 0.00 0.00 54.97 54.41 1s4q s GLU 88 Cb 0.11 0.50 0.04 0.00 0.02 0.00 0.00 34.13 34.80 1s4q s GLU 88 CO 0.82 -0.42 0.45 1.67 -1.84 0.00 0.00 175.26 175.94 1s4q s TRP 89 N -2.98 -0.30 0.06 4.83 1.48 -1.26 -1.05 118.94 119.72 1s4q s TRP 89 Ca -0.02 0.17 -0.07 0.00 -1.06 0.00 0.00 56.10 55.11 1s4q s TRP 89 Cb -0.00 0.29 -0.01 0.00 -1.16 0.00 0.00 33.47 32.59 1s4q s TRP 89 CO -0.06 -0.66 0.14 0.00 -4.06 0.00 0.00 176.95 172.32 1s4q s ALA 90 N -3.06 -0.14 0.06 2.67 0.00 0.06 -4.97 121.76 116.39 1s4q s ALA 90 Ca -0.02 -0.59 -0.30 0.00 0.00 0.00 0.00 51.96 51.05 1s4q s ALA 90 Cb 0.00 0.36 -0.05 0.00 0.00 0.00 0.00 23.12 23.43 1s4q s ALA 90 CO -0.07 -0.41 1.00 -1.21 0.00 0.00 0.00 175.76 175.07 1s4q s GLU 91 N -3.26 4.60 -0.11 0.00 0.41 -1.26 -2.30 118.70 116.78 1s4q s GLU 91 Ca 0.00 1.48 -0.01 0.00 -0.41 0.00 0.00 54.97 56.04 1s4q s GLU 91 Cb 0.02 -3.41 -0.03 0.00 -1.78 0.00 0.00 34.13 28.94 1s4q s GLU 91 CO -0.08 0.04 -0.06 0.42 -0.49 0.00 0.00 175.26 175.09 1s4q s ILE 92 N 0.54 3.69 -1.18 -1.63 -1.09 -0.37 -4.62 121.20 116.54 1s4q s ILE 92 Ca 0.50 -0.46 -0.04 0.00 -2.23 0.00 0.00 60.65 58.42 1s4q s ILE 92 Cb -0.23 -2.55 -0.02 0.00 -1.58 0.00 0.00 42.46 38.07 1s4q s ILE 92 CO 0.29 0.55 0.85 1.41 -1.23 0.00 0.00 174.94 176.82 1s4q n HIS 93 N 2.85 -2.14 -1.49 3.97 8.25 -1.26 -1.37 115.22 124.02 1s4q n HIS 93 Ca -0.18 0.82 -0.17 0.00 -0.26 0.00 0.00 57.72 57.93 1s4q n HIS 93 Cb 0.53 -4.38 -0.07 0.00 1.12 0.00 0.00 29.99 27.18 1s4q n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s4q n GLY 94 N -1.37 1.69 0.56 -1.41 0.00 -1.26 -2.36 105.19 101.03 1s4q n GLY 94 Ca -0.21 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1s4q n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s4q n GLY 95 N -0.79 0.84 0.31 -0.02 0.00 -0.83 -4.97 105.19 99.73 1s4q n GLY 95 Ca -0.17 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.72 1s4q n GLY 95 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1s4q h LEU 96 N 0.00 0.58 0.00 0.99 5.85 -0.83 -3.46 115.31 118.43 1s4q h LEU 96 Ca 0.00 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1s4q h LEU 96 Cb 0.00 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1s4q h LEU 96 CO 0.00 0.25 0.14 0.00 -0.34 0.00 0.00 178.44 178.50 1s4q n HIS 97 N -4.84 -1.74 -4.30 1.25 1.44 -1.15 -4.99 115.22 100.89 1s4q n HIS 97 Ca 0.17 -1.08 -0.21 0.00 -2.01 0.00 0.00 57.72 54.60 1s4q n HIS 97 Cb 0.42 0.52 -0.11 0.00 0.12 0.00 0.00 29.99 30.94 1s4q n HIS 97 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1s4q s ARG 98 N -2.08 1.20 0.01 -1.40 0.52 -1.26 -1.24 118.95 114.70 1s4q s ARG 98 Ca 0.09 -1.36 -0.02 0.00 -0.52 0.00 0.00 55.73 53.93 1s4q s ARG 98 Cb -0.03 -1.20 -0.01 0.00 0.52 0.00 0.00 34.95 34.23 1s4q s ARG 98 CO 0.07 0.24 0.02 -1.12 0.02 0.00 0.00 175.30 174.53 1s4q s SER 99 N -2.61 0.14 0.26 0.23 0.01 -0.97 -0.20 113.70 110.56 1s4q s SER 99 Ca 0.14 -0.33 -0.20 0.00 1.31 0.00 0.00 55.95 56.86 1s4q s SER 99 Cb -0.05 0.13 0.06 0.00 0.21 0.00 0.00 66.02 66.37 1s4q s SER 99 CO 0.05 -0.27 0.92 -0.83 0.41 0.00 0.00 173.24 173.52 1s4q s GLY 100 N -1.20 0.16 -0.28 3.44 0.00 -0.80 -0.76 107.32 107.88 1s4q s GLY 100 Ca -0.13 -0.44 -0.11 0.00 0.00 0.00 0.00 44.72 44.04 1s4q s GLY 100 CO -0.00 1.02 0.19 -1.59 0.00 0.00 0.00 173.10 172.72 1s4q s THR 101 N -2.44 5.31 0.15 0.90 2.01 -0.21 -0.03 115.64 121.32 1s4q s THR 101 Ca 0.18 0.18 -0.30 0.00 0.31 0.00 0.00 61.69 62.06 1s4q s THR 101 Cb -0.04 -3.53 -0.07 0.00 0.01 0.00 0.00 72.50 68.87 1s4q s THR 101 CO 0.07 0.25 1.13 -0.76 -0.69 0.00 0.00 174.62 174.63 1s4q s LEU 102 N 1.75 4.45 0.11 4.42 1.43 -1.26 -0.26 118.68 129.33 1s4q s LEU 102 Ca 0.07 2.08 -0.13 0.00 -1.03 0.00 0.00 54.13 55.12 1s4q s LEU 102 Cb -0.16 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.37 1s4q s LEU 102 CO 0.11 -0.30 1.40 0.00 0.23 0.00 0.00 176.35 177.79 1s4q h ALA 103 N 5.57 0.44 -0.44 4.21 0.00 -1.61 -3.36 119.26 124.07 1s4q h ALA 103 Ca -0.44 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 53.89 1s4q h ALA 103 Cb 1.21 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1s4q h ALA 103 CO 0.75 0.56 -0.20 0.37 0.00 0.00 0.00 179.25 180.73 1s4q h GLN 104 N 0.55 0.91 -0.61 0.00 4.15 -1.93 -1.78 115.11 116.40 1s4q h GLN 104 Ca 0.03 -0.39 -0.01 0.00 0.77 0.00 0.00 58.65 59.04 1s4q h GLN 104 Cb 1.03 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.66 1s4q h GLN 104 CO 0.10 1.05 0.33 -1.35 -1.93 0.00 0.00 178.83 177.03 1s4q h PRO 105 N 0.74 0.84 -0.30 -2.39 0.11 -1.98 -0.32 132.00 128.70 1s4q h PRO 105 Ca 0.10 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 66.07 1s4q h PRO 105 Cb 0.77 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 1s4q h PRO 105 CO 0.06 0.62 -0.01 0.28 -0.21 0.00 0.00 178.00 178.75 1s4q h VAL 106 N 0.85 1.26 -0.24 3.15 2.07 -1.55 -0.74 116.25 121.05 1s4q h VAL 106 Ca 0.22 -0.95 -0.12 0.00 0.82 0.00 0.00 66.70 66.66 1s4q h VAL 106 Cb 0.03 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1s4q h VAL 106 CO -0.04 0.31 -0.36 0.03 0.02 0.00 0.00 177.57 177.54 1s4q h ARG 107 N 0.33 0.52 -0.21 1.57 3.08 -1.12 0.49 114.38 119.04 1s4q h ARG 107 Ca 0.09 -0.24 -0.10 0.00 0.07 0.00 0.00 59.98 59.80 1s4q h ARG 107 Cb 0.45 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1s4q h ARG 107 CO 0.02 0.80 -0.24 0.00 -1.07 0.00 0.00 179.97 179.48 1s4q h ALA 108 N 1.18 0.31 0.32 0.04 0.00 -0.94 -0.22 119.26 119.96 1s4q h ALA 108 Ca 0.05 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1s4q h ALA 108 Cb 0.83 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1s4q h ALA 108 CO 0.07 0.28 -0.27 0.00 0.00 0.00 0.00 179.25 179.33 1s4q h ALA 109 N 0.64 -0.60 -0.92 0.00 0.00 -0.85 -1.71 119.26 115.82 1s4q h ALA 109 Ca 0.03 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1s4q h ALA 109 Cb 0.80 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 1s4q h ALA 109 CO 0.06 -0.87 0.60 0.00 0.00 0.00 0.00 179.25 179.04 1s4q h ALA 110 N -0.02 1.46 0.00 0.00 0.00 -0.86 -0.93 119.26 118.90 1s4q h ALA 110 Ca -0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1s4q h ALA 110 Cb 0.54 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1s4q h ALA 110 CO -0.02 0.43 -0.19 0.00 0.00 0.00 0.00 179.25 179.46 1s4q h ALA 111 N 1.48 1.17 -0.00 0.00 0.00 -0.81 0.32 119.26 121.43 1s4q h ALA 111 Ca 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1s4q h ALA 111 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1s4q h ALA 111 CO -0.13 0.24 -0.11 2.41 0.00 0.00 0.00 179.25 181.66 1s4q n THR 112 N -3.56 0.00 -0.22 0.00 -1.04 -0.41 -4.84 114.28 104.22 1s4q n THR 112 Ca -0.01 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1s4q n THR 112 Cb 0.34 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1s4q n THR 112 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1s4q n GLY 113 N 1.50 0.67 3.81 3.41 0.00 -0.19 -4.90 105.19 109.49 1s4q n GLY 113 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1s4q n GLY 113 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s4q s VAL 114 N -2.34 4.92 0.50 1.61 -7.23 -0.88 -4.15 120.40 112.83 1s4q s VAL 114 Ca 0.00 1.02 -0.21 0.00 -1.81 0.00 0.00 61.98 60.98 1s4q s VAL 114 Cb 0.00 -3.81 -0.07 0.00 0.56 0.00 0.00 36.38 33.07 1s4q s VAL 114 CO 0.00 0.54 1.13 -2.16 -0.31 0.00 0.00 175.10 174.31 1s4q s PRO 115 N -0.92 3.56 -0.06 4.82 0.04 -1.26 -3.81 135.00 137.37 1s4q s PRO 115 Ca 0.26 1.65 0.03 0.00 0.04 0.00 0.00 61.00 62.99 1s4q s PRO 115 Cb -0.18 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 32.19 1s4q s PRO 115 CO 0.16 -0.69 -0.15 0.08 0.04 0.00 0.00 177.00 176.43 1s4q s VAL 116 N -1.70 1.35 -0.09 -0.36 1.01 -0.35 -0.27 120.40 120.00 1s4q s VAL 116 Ca 0.69 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 62.08 1s4q s VAL 116 Cb -0.25 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 1s4q s VAL 116 CO 0.29 0.40 -0.21 -0.22 0.00 0.00 0.00 175.10 175.36 1s4q s LEU 117 N 0.41 2.28 -0.11 3.92 2.96 -0.38 -0.79 118.68 126.96 1s4q s LEU 117 Ca -0.12 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.34 1s4q s LEU 117 Cb -0.15 -1.45 0.02 0.00 0.50 0.00 0.00 46.19 45.11 1s4q s LEU 117 CO 0.04 0.21 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.51 1s4q s ILE 118 N 0.07 1.39 -0.24 6.68 1.01 -0.59 -1.16 121.20 128.36 1s4q s ILE 118 Ca -0.09 -0.56 -0.07 0.00 0.00 0.00 0.00 60.65 59.92 1s4q s ILE 118 Cb -0.15 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 1s4q s ILE 118 CO 0.06 0.42 0.07 -0.70 0.00 0.00 0.00 174.94 174.79 1s4q s GLU 119 N 1.20 3.72 0.18 2.79 2.12 -1.26 -0.28 118.70 127.16 1s4q s GLU 119 Ca -0.03 -0.45 -0.11 0.00 0.36 0.00 0.00 54.97 54.74 1s4q s GLU 119 Cb -0.14 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 30.94 1s4q s GLU 119 CO -0.04 -0.10 0.36 0.14 -0.54 0.00 0.00 175.26 175.07 1s4q s VAL 120 N 1.38 0.05 1.05 3.70 -7.23 -0.93 -4.97 120.40 113.46 1s4q s VAL 120 Ca 0.05 -1.24 -0.16 0.00 -1.81 0.00 0.00 61.98 58.82 1s4q s VAL 120 Cb -0.15 -1.81 0.22 0.00 0.56 0.00 0.00 36.38 35.20 1s4q s VAL 120 CO 0.04 -0.23 1.16 1.51 -0.31 0.00 0.00 175.10 177.27 1s4q s ASP 121 N -2.95 2.28 0.18 4.85 1.47 -1.26 -4.18 116.67 117.06 1s4q s ASP 121 Ca 0.16 0.70 -0.12 0.00 1.18 0.00 0.00 52.55 54.47 1s4q s ASP 121 Cb 0.02 -1.04 0.09 0.00 -0.34 0.00 0.00 42.92 41.64 1s4q s ASP 121 CO 0.00 -3.29 1.76 -0.07 0.68 0.00 0.00 175.17 174.24 1s4q h LEU 122 N -2.01 0.81 -0.45 2.11 3.38 -1.96 0.91 115.31 118.10 1s4q h LEU 122 Ca -0.47 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1s4q h LEU 122 Cb 1.30 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1s4q h LEU 122 CO 0.45 0.73 0.28 0.00 0.09 0.00 0.00 178.44 180.00 1s4q h ALA 123 N 1.12 0.57 -1.01 1.53 0.00 -1.99 -1.94 119.26 117.54 1s4q h ALA 123 Ca 0.21 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1s4q h ALA 123 Cb 0.14 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1s4q h ALA 123 CO -0.02 0.04 0.66 0.78 0.00 0.00 0.00 179.25 180.71 1s4q h GLY 124 N 0.60 1.44 0.85 0.00 0.00 -1.75 -1.80 103.07 102.41 1s4q h GLY 124 Ca 0.16 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 1s4q h GLY 124 CO -0.03 0.48 -0.01 0.00 0.00 0.00 0.00 176.54 176.97 1s4q h ALA 125 N 1.39 0.34 -0.74 3.60 0.00 -0.40 -2.03 119.26 121.42 1s4q h ALA 125 Ca 0.38 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.16 1s4q h ALA 125 Cb -0.09 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.54 1s4q h ALA 125 CO -0.10 0.09 0.38 -0.09 0.00 0.00 0.00 179.25 179.54 1s4q h ARG 126 N 0.22 0.63 -0.26 0.00 2.43 -1.28 -0.98 114.38 115.14 1s4q h ARG 126 Ca 0.07 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 1s4q h ARG 126 Cb 0.44 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1s4q h ARG 126 CO 0.02 0.41 -0.20 0.00 -1.51 0.00 0.00 179.97 178.69 1s4q h ALA 127 N 1.44 1.16 -0.09 2.80 0.00 -1.14 -2.55 119.26 120.89 1s4q h ALA 127 Ca 0.37 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1s4q h ALA 127 Cb 0.38 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1s4q h ALA 127 CO -0.27 0.53 -0.65 0.82 0.00 0.00 0.00 179.25 179.68 1s4q h ILE 128 N 0.43 1.38 -0.07 0.00 2.04 -0.62 -2.15 117.51 118.52 1s4q h ILE 128 Ca 0.07 -2.03 -0.02 0.00 1.00 0.00 0.00 64.86 63.88 1s4q h ILE 128 Cb 0.60 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 1s4q h ILE 128 CO 0.04 0.61 -0.04 0.50 0.00 0.00 0.00 178.15 179.26 1s4q h LYS 129 N 0.25 0.09 -0.03 2.37 1.63 -0.78 0.46 116.57 120.57 1s4q h LYS 129 Ca -0.01 -0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 59.64 1s4q h LYS 129 Cb 1.19 -0.02 0.01 0.00 -0.60 0.00 0.00 32.23 32.81 1s4q h LYS 129 CO 0.11 0.15 -0.53 0.87 -3.45 0.00 0.00 179.45 176.60 1s4q h LYS 130 N 0.09 0.40 0.00 1.90 1.57 -1.36 -3.07 116.57 116.11 1s4q h LYS 130 Ca 0.02 -0.40 -0.10 0.00 -1.87 0.00 0.00 60.65 58.30 1s4q h LYS 130 Cb 0.14 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1s4q h LYS 130 CO 0.01 1.06 -0.59 1.79 -0.57 0.00 0.00 179.45 181.15 1s4q h THR 131 N -0.10 0.75 -2.28 -0.16 1.35 -1.17 -3.40 112.91 107.90 1s4q h THR 131 Ca -0.06 -2.09 -0.58 0.00 -0.55 0.00 0.00 66.41 63.13 1s4q h THR 131 Cb 1.23 2.33 -0.38 0.00 -1.73 0.00 0.00 68.15 69.60 1s4q h THR 131 CO 0.11 0.43 -1.01 0.80 -0.25 0.00 0.00 175.52 175.59 1s4q n MET 132 N -3.17 0.31 0.28 4.72 0.00 0.16 -5.00 117.12 114.42 1s4q n MET 132 Ca 0.01 -3.19 0.15 0.00 -0.00 0.00 0.00 57.70 54.67 1s4q n MET 132 Cb 0.73 -1.57 0.89 0.00 0.00 0.00 0.00 33.22 33.27 1s4q n MET 132 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 1s4q h PRO 133 N 5.25 0.00 0.00 2.12 0.11 -1.70 -0.63 132.00 137.15 1s4q h PRO 133 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1s4q h PRO 133 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1s4q h PRO 133 CO 0.39 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.33 1s4q n GLU 134 N -3.87 0.57 -2.41 1.05 0.00 -1.26 -4.79 120.64 109.93 1s4q n GLU 134 Ca -0.02 0.02 -0.38 0.00 0.00 0.00 0.00 57.16 56.78 1s4q n GLU 134 Cb 0.13 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.04 1s4q n GLU 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1s4q s ALA 135 N -2.36 3.19 -0.29 -1.84 0.00 -0.24 -4.76 121.76 115.46 1s4q s ALA 135 Ca 0.32 0.87 -0.14 0.00 0.00 0.00 0.00 51.96 53.01 1s4q s ALA 135 Cb 0.19 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 1s4q s ALA 135 CO 0.38 -0.35 0.34 0.08 0.00 0.00 0.00 175.76 176.20 1s4q s VAL 136 N -1.43 5.20 -0.04 0.00 1.01 0.26 -4.96 120.40 120.43 1s4q s VAL 136 Ca 0.54 0.35 -0.20 0.00 0.00 0.00 0.00 61.98 62.68 1s4q s VAL 136 Cb -0.28 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 1s4q s VAL 136 CO 0.36 0.10 0.56 0.42 0.00 0.00 0.00 175.10 176.54 1s4q s THR 137 N 2.00 5.01 -0.05 3.92 -4.23 -1.26 -0.36 115.64 120.67 1s4q s THR 137 Ca 0.13 1.15 0.03 0.00 -1.18 0.00 0.00 61.69 61.82 1s4q s THR 137 Cb -0.16 -3.89 0.01 0.00 1.34 0.00 0.00 72.50 69.79 1s4q s THR 137 CO 0.11 0.39 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.77 1s4q s VAL 138 N 0.05 1.08 -0.28 2.29 1.01 0.12 -1.22 120.40 123.45 1s4q s VAL 138 Ca 0.30 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 1s4q s VAL 138 Cb -0.17 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 1s4q s VAL 138 CO 0.15 0.33 0.10 0.12 0.00 0.00 0.00 175.10 175.80 1s4q s PHE 139 N 0.37 3.13 -0.74 5.22 5.36 -0.03 -1.10 117.98 130.18 1s4q s PHE 139 Ca -0.08 -0.59 -0.24 0.00 -0.96 0.00 0.00 56.93 55.06 1s4q s PHE 139 Cb -0.12 -2.28 0.06 0.00 -0.34 0.00 0.00 43.02 40.34 1s4q s PHE 139 CO 0.02 -0.43 1.15 -1.17 -1.46 0.00 0.00 175.22 173.32 1s4q s LEU 140 N 1.59 3.86 0.28 6.12 2.96 0.83 -0.93 118.68 133.38 1s4q s LEU 140 Ca 0.05 -0.89 -0.18 0.00 -0.22 0.00 0.00 54.13 52.89 1s4q s LEU 140 Cb -0.16 -2.49 -0.09 0.00 0.50 0.00 0.00 46.19 43.95 1s4q s LEU 140 CO 0.04 -1.58 0.74 0.00 -1.32 0.00 0.00 176.35 174.23 1s4q s ALA 141 N 4.72 3.35 0.70 5.97 0.00 0.08 -4.34 121.76 132.25 1s4q s ALA 141 Ca 0.30 0.13 -0.13 0.00 0.00 0.00 0.00 51.96 52.26 1s4q s ALA 141 Cb -0.11 -2.82 0.02 0.00 0.00 0.00 0.00 23.12 20.21 1s4q s ALA 141 CO 0.09 0.32 1.10 -1.25 0.00 0.00 0.00 175.76 176.02 1s4q s PRO 142 N -2.45 2.60 0.49 0.00 0.04 -1.26 0.05 135.00 134.47 1s4q s PRO 142 Ca 0.49 1.31 0.27 0.00 0.04 0.00 0.00 61.00 63.11 1s4q s PRO 142 Cb -0.14 -1.93 1.20 0.00 0.04 0.00 0.00 34.50 33.67 1s4q s PRO 142 CO 0.19 -1.39 1.94 -1.00 0.04 0.00 0.00 177.00 176.78 1s4q h PRO 143 N -0.40 0.00 -3.03 0.56 0.13 -1.93 -3.42 132.00 123.91 1s4q h PRO 143 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1s4q h PRO 143 Cb 1.24 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.27 1s4q h PRO 143 CO 0.53 0.15 0.19 -1.54 -0.23 0.00 0.00 178.00 177.11 1s4q s SER 144 N -6.06 -0.47 0.18 1.44 1.04 -1.26 -5.02 113.70 103.55 1s4q s SER 144 Ca -0.01 -0.17 -0.14 0.00 0.48 0.00 0.00 55.95 56.11 1s4q s SER 144 Cb 0.11 0.62 0.16 0.00 0.10 0.00 0.00 66.02 67.02 1s4q s SER 144 CO 0.60 -1.05 1.69 -0.25 0.98 0.00 0.00 173.24 175.20 1s4q h TRP 145 N 2.02 -0.04 -0.38 5.02 2.91 -2.00 -2.65 115.95 120.83 1s4q h TRP 145 Ca -0.30 0.04 0.05 0.00 1.13 0.00 0.00 58.89 59.80 1s4q h TRP 145 Cb 1.29 0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 30.01 1s4q h TRP 145 CO 0.28 -0.11 0.26 1.96 -1.03 0.00 0.00 178.44 179.80 1s4q h GLN 146 N 0.11 0.29 -0.03 2.65 4.20 -1.98 0.31 115.11 120.65 1s4q h GLN 146 Ca 0.23 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 1s4q h GLN 146 Cb 0.35 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 1s4q h GLN 146 CO -0.40 0.19 -0.02 0.22 -0.67 0.00 0.00 178.83 178.15 1s4q h ASP 147 N 0.30 0.08 -0.41 1.46 3.58 -1.88 -1.21 116.42 118.34 1s4q h ASP 147 Ca 0.16 -0.46 0.01 0.00 0.42 0.00 0.00 57.03 57.16 1s4q h ASP 147 Cb 0.28 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 1s4q h ASP 147 CO -0.03 0.52 0.27 0.25 -2.88 0.00 0.00 179.24 177.36 1s4q h LEU 148 N -0.37 0.46 -0.72 2.28 5.85 -1.14 -2.76 115.31 118.91 1s4q h LEU 148 Ca 0.01 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1s4q h LEU 148 Cb 0.50 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1s4q h LEU 148 CO 0.01 0.33 0.36 -0.61 -0.34 0.00 0.00 178.44 178.19 1s4q h GLN 149 N 0.55 1.02 -0.86 1.25 4.15 -0.87 -0.56 115.11 119.79 1s4q h GLN 149 Ca 0.15 -0.14 0.03 0.00 0.77 0.00 0.00 58.65 59.46 1s4q h GLN 149 Cb -0.05 -0.19 -0.05 0.00 0.21 0.00 0.00 27.48 27.40 1s4q h GLN 149 CO -0.04 0.80 0.57 0.00 -1.93 0.00 0.00 178.83 178.22 1s4q h ALA 150 N 1.17 1.46 -0.01 3.38 0.00 -1.19 -0.30 119.26 123.77 1s4q h ALA 150 Ca 0.25 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 1s4q h ALA 150 Cb 0.10 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1s4q h ALA 150 CO -0.03 0.45 -0.76 0.00 0.00 0.00 0.00 179.25 178.92 1s4q h ARG 151 N 1.07 0.10 -0.45 0.00 3.08 -1.04 0.13 114.38 117.27 1s4q h ARG 151 Ca 0.34 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 60.16 1s4q h ARG 151 Cb 0.02 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1s4q h ARG 151 CO -0.10 0.81 -0.24 -0.07 -1.07 0.00 0.00 179.97 179.29 1s4q h LEU 152 N 0.06 0.98 -0.11 3.04 3.38 -0.56 -3.19 115.31 118.92 1s4q h LEU 152 Ca -0.02 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.49 1s4q h LEU 152 Cb 1.33 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1s4q h LEU 152 CO 0.11 1.16 -0.24 0.40 0.09 0.00 0.00 178.44 179.96 1s4q h ILE 153 N 0.81 1.39 0.00 1.22 2.04 -1.03 -3.47 117.51 118.46 1s4q h ILE 153 Ca 0.10 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.42 1s4q h ILE 153 Cb 0.81 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 39.01 1s4q h ILE 153 CO 0.07 0.45 0.00 0.61 0.00 0.00 0.00 178.15 179.28 1s4q n GLY 154 N 0.47 3.28 0.00 5.37 0.00 0.44 -1.12 105.19 113.63 1s4q n GLY 154 Ca -0.07 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.88 1s4q n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4q n ARG 155 N 14.00 0.91 -2.22 1.61 5.12 -1.26 -4.92 116.66 129.90 1s4q n ARG 155 Ca 0.00 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.83 1s4q n ARG 155 Cb 0.00 -1.46 -0.00 0.00 -1.16 0.00 0.00 32.46 29.84 1s4q n ARG 155 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1s4q n GLY 156 N 0.79 0.04 0.08 -0.13 0.00 -0.27 -4.92 105.19 100.76 1s4q n GLY 156 Ca 0.20 -0.51 0.13 0.00 0.00 0.00 0.00 46.02 45.84 1s4q n GLY 156 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s4q n THR 157 N -3.97 0.43 -3.64 2.61 -2.24 -1.26 -4.89 114.28 101.31 1s4q n THR 157 Ca -0.09 -0.22 -0.20 0.00 -2.27 0.00 0.00 64.05 61.26 1s4q n THR 157 Cb 0.57 -0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 68.34 1s4q n THR 157 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1s4q s GLU 158 N -3.09 2.93 0.72 -0.78 2.02 -1.26 -5.11 118.70 114.13 1s4q s GLU 158 Ca 0.10 -1.14 -0.11 0.00 0.02 0.00 0.00 54.97 53.83 1s4q s GLU 158 Cb 0.14 -2.66 0.02 0.00 0.10 0.00 0.00 34.13 31.74 1s4q s GLU 158 CO 0.62 0.09 1.10 0.95 0.02 0.00 0.00 175.26 178.03 1s4q s THR 159 N -2.23 3.39 0.22 3.63 -4.23 -1.26 -4.85 115.64 110.30 1s4q s THR 159 Ca 0.43 0.45 -0.08 0.00 -1.18 0.00 0.00 61.69 61.31 1s4q s THR 159 Cb -0.08 -3.42 0.18 0.00 1.34 0.00 0.00 72.50 70.52 1s4q s THR 159 CO 0.29 -0.59 1.84 0.00 -0.54 0.00 0.00 174.62 175.62 1s4q h ALA 160 N -0.71 1.03 -0.50 3.99 0.00 -1.99 -1.52 119.26 119.55 1s4q h ALA 160 Ca -0.45 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1s4q h ALA 160 Cb 1.26 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1s4q h ALA 160 CO 0.63 0.19 0.17 -0.44 0.00 0.00 0.00 179.25 179.80 1s4q h ASP 161 N 0.85 0.72 -0.41 0.00 3.32 -1.99 -0.02 116.42 118.89 1s4q h ASP 161 Ca 0.33 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 1s4q h ASP 161 Cb 0.14 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1s4q h ASP 161 CO -0.16 0.72 0.18 0.58 -1.72 0.00 0.00 179.24 178.84 1s4q h VAL 162 N 0.68 1.18 -0.36 -1.35 2.07 -1.83 -1.44 116.25 115.21 1s4q h VAL 162 Ca 0.16 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1s4q h VAL 162 Cb 0.25 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1s4q h VAL 162 CO -0.01 0.20 0.20 0.40 0.02 0.00 0.00 177.57 178.39 1s4q h ILE 163 N 0.52 1.13 -0.54 4.57 2.04 -1.13 0.12 117.51 124.22 1s4q h ILE 163 Ca 0.14 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.72 1s4q h ILE 163 Cb 0.15 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 1s4q h ILE 163 CO -0.01 0.13 0.28 -0.61 0.00 0.00 0.00 178.15 177.93 1s4q h GLN 164 N 0.45 0.52 -0.75 2.37 5.75 -0.94 0.16 115.11 122.67 1s4q h GLN 164 Ca 0.13 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1s4q h GLN 164 Cb 0.03 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.43 1s4q h GLN 164 CO -0.02 0.34 0.46 -0.09 -2.65 0.00 0.00 178.83 176.87 1s4q h ARG 165 N 0.53 1.01 -0.97 1.69 2.43 -0.52 -1.10 114.38 117.44 1s4q h ARG 165 Ca 0.24 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1s4q h ARG 165 Cb 0.15 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 29.43 1s4q h ARG 165 CO -0.17 0.70 0.64 0.00 -1.51 0.00 0.00 179.97 179.64 1s4q h ARG 166 N 1.02 1.23 -0.30 0.20 3.08 0.41 0.76 114.38 120.79 1s4q h ARG 166 Ca 0.27 -0.07 -0.16 0.00 0.07 0.00 0.00 59.98 60.08 1s4q h ARG 166 Cb -0.06 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 29.71 1s4q h ARG 166 CO -0.05 0.81 -0.46 -0.07 -1.07 0.00 0.00 179.97 179.13 1s4q h LEU 167 N 1.27 0.92 -0.46 3.04 3.38 -0.33 -1.05 115.31 122.08 1s4q h LEU 167 Ca 0.38 -0.51 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 1s4q h LEU 167 Cb -0.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1s4q h LEU 167 CO -0.10 1.25 -0.05 0.44 0.09 0.00 0.00 178.44 180.07 1s4q h ASP 168 N 0.61 0.83 -1.01 -0.43 3.32 -0.97 -2.01 116.42 116.77 1s4q h ASP 168 Ca 0.03 -0.33 0.10 0.00 0.02 0.00 0.00 57.03 56.84 1s4q h ASP 168 Cb 1.06 -0.23 -0.08 0.00 0.22 0.00 0.00 39.33 40.31 1s4q h ASP 168 CO 0.11 0.97 0.64 0.74 -1.72 0.00 0.00 179.24 179.98 1s4q h THR 169 N 0.68 0.99 -0.29 0.35 2.02 -0.62 -2.34 112.91 113.71 1s4q h THR 169 Ca 0.12 -0.37 -0.17 0.00 0.77 0.00 0.00 66.41 66.76 1s4q h THR 169 Cb 0.57 -0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1s4q h THR 169 CO 0.03 0.20 -0.50 0.00 0.37 0.00 0.00 175.52 175.62 1s4q h ALA 170 N 1.50 0.45 -0.63 6.16 0.00 -0.75 0.37 119.26 126.36 1s4q h ALA 170 Ca 0.47 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1s4q h ALA 170 Cb 0.35 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1s4q h ALA 170 CO -0.23 0.63 0.28 0.00 0.00 0.00 0.00 179.25 179.94 1s4q h ARG 171 N 0.62 0.93 -0.34 0.00 3.08 -1.20 0.77 114.38 118.24 1s4q h ARG 171 Ca 0.02 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1s4q h ARG 171 Cb 1.10 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 1s4q h ARG 171 CO 0.11 0.76 0.16 0.82 -1.07 0.00 0.00 179.97 180.76 1s4q h ILE 172 N 0.88 1.16 -0.83 2.04 2.04 -1.10 -2.65 117.51 119.04 1s4q h ILE 172 Ca 0.21 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1s4q h ILE 172 Cb 0.16 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1s4q h ILE 172 CO -0.02 0.17 0.41 -0.33 0.00 0.00 0.00 178.15 178.38 1s4q h GLU 173 N 0.41 1.19 -0.40 2.37 5.08 -0.55 -2.35 114.58 120.32 1s4q h GLU 173 Ca 0.12 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1s4q h GLU 173 Cb 0.12 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1s4q h GLU 173 CO -0.01 0.90 0.20 -0.07 -1.00 0.00 0.00 179.01 179.02 1s4q h LEU 174 N 1.18 0.49 -0.76 1.33 3.38 -0.73 -1.07 115.31 119.12 1s4q h LEU 174 Ca 0.29 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1s4q h LEU 174 Cb 0.09 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1s4q h LEU 174 CO -0.04 0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.91 1s4q n ALA 175 N -2.47 1.61 0.49 1.53 0.00 -0.89 -2.53 120.51 118.25 1s4q n ALA 175 Ca 0.03 0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.67 1s4q n ALA 175 Cb 0.11 -1.38 0.43 0.00 0.00 0.00 0.00 19.45 18.61 1s4q n ALA 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s4q n ALA 176 N -1.77 1.75 0.19 0.00 0.00 -0.41 -4.24 120.51 116.03 1s4q n ALA 176 Ca 0.02 0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.50 1s4q n ALA 176 Cb 0.21 -1.34 0.37 0.00 0.00 0.00 0.00 19.45 18.69 1s4q n ALA 176 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1s4q h GLN 177 N 0.00 0.00 0.00 0.00 3.07 -1.63 -2.14 115.11 114.41 1s4q h GLN 177 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 1s4q h GLN 177 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.92 1s4q h GLN 177 CO 0.00 0.36 -0.04 0.78 0.09 0.00 0.00 178.83 180.02 1s4q h GLY 178 N 1.14 0.00 2.00 0.06 0.00 -1.84 -2.67 103.07 101.76 1s4q h GLY 178 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1s4q h GLY 178 CO 0.05 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 176.04 1s4q h ASP 179 N 0.00 0.00 -4.19 0.19 3.32 -1.68 -3.46 116.42 110.60 1s4q h ASP 179 Ca -0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 1s4q h ASP 179 Cb 0.28 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.85 1s4q h ASP 179 CO 0.01 0.00 0.37 -0.36 -1.72 0.00 0.00 179.24 177.54 1s4q s PHE 180 N -3.19 3.40 0.27 4.55 0.40 -1.01 -4.97 117.98 117.44 1s4q s PHE 180 Ca 0.08 1.48 -0.02 0.00 -0.60 0.00 0.00 56.93 57.87 1s4q s PHE 180 Cb 0.11 -2.82 0.37 0.00 0.51 0.00 0.00 43.02 41.19 1s4q s PHE 180 CO 0.56 -0.44 1.80 -0.44 0.70 0.00 0.00 175.22 177.41 1s4q h ASP 181 N 0.91 0.78 -5.10 1.36 3.32 -1.75 -3.45 116.42 112.48 1s4q h ASP 181 Ca -0.47 -0.15 -0.14 0.00 0.02 0.00 0.00 57.03 56.29 1s4q h ASP 181 Cb 1.19 -0.20 -0.18 0.00 0.22 0.00 0.00 39.33 40.36 1s4q h ASP 181 CO 0.61 0.79 -0.61 -0.54 -1.72 0.00 0.00 179.24 177.77 1s4q s LYS 182 N -5.15 0.53 -0.10 3.56 -0.14 -0.36 -4.99 119.74 113.09 1s4q s LYS 182 Ca -0.10 -0.83 0.03 0.00 -1.36 0.00 0.00 55.97 53.71 1s4q s LYS 182 Cb 0.15 0.20 0.01 0.00 -1.68 0.00 0.00 37.83 36.51 1s4q s LYS 182 CO 0.81 -0.11 -0.19 0.08 -0.76 0.00 0.00 175.35 175.17 1s4q s VAL 183 N -2.65 1.69 -0.13 3.17 1.01 -1.26 -0.85 120.40 121.38 1s4q s VAL 183 Ca -0.05 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1s4q s VAL 183 Cb -0.01 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 1s4q s VAL 183 CO -0.05 0.48 -0.14 -0.69 0.00 0.00 0.00 175.10 174.70 1s4q s VAL 184 N 0.64 2.91 -0.18 2.92 1.01 -0.11 -4.91 120.40 122.68 1s4q s VAL 184 Ca -0.13 -0.71 -0.19 0.00 0.00 0.00 0.00 61.98 60.95 1s4q s VAL 184 Cb -0.16 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1s4q s VAL 184 CO 0.04 0.53 0.53 -0.69 0.00 0.00 0.00 175.10 175.50 1s4q s VAL 185 N 0.41 5.11 -1.31 2.92 1.01 -1.26 -0.74 120.40 126.54 1s4q s VAL 185 Ca -0.11 1.00 -0.07 0.00 0.00 0.00 0.00 61.98 62.80 1s4q s VAL 185 Cb -0.16 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1s4q s VAL 185 CO 0.05 0.20 2.78 -3.20 0.00 0.00 0.00 175.10 174.93 1s4q n ASN 186 N 4.54 8.09 0.15 3.32 5.15 0.11 -4.56 115.26 132.05 1s4q n ASN 186 Ca -0.05 -2.83 0.00 0.00 -0.60 0.00 0.00 54.58 51.10 1s4q n ASN 186 Cb 0.51 -1.45 0.22 0.00 -0.53 0.00 0.00 39.78 38.52 1s4q n ASN 186 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1s4q h ARG 187 N 4.56 0.00 -1.95 1.20 3.08 -1.92 -3.37 114.38 115.98 1s4q h ARG 187 Ca 0.73 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.79 1s4q h ARG 187 Cb 0.41 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.24 1s4q h ARG 187 CO 1.49 0.56 0.10 0.50 -1.07 0.00 0.00 179.97 181.55 1s4q s ARG 188 N -3.68 0.72 0.18 0.04 6.06 -1.26 -5.01 118.95 115.99 1s4q s ARG 188 Ca -0.01 1.09 -0.19 0.00 -2.50 0.00 0.00 55.73 54.12 1s4q s ARG 188 Cb 0.13 0.23 0.11 0.00 0.06 0.00 0.00 34.95 35.47 1s4q s ARG 188 CO 0.75 -0.13 1.63 1.25 -2.50 0.00 0.00 175.30 176.30 1s4q h LEU 189 N 6.18 -0.72 -0.83 -0.88 5.85 -1.97 -1.34 115.31 121.60 1s4q h LEU 189 Ca -0.29 0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 1s4q h LEU 189 Cb 1.20 0.39 -0.02 0.00 0.37 0.00 0.00 40.66 42.60 1s4q h LEU 189 CO 0.13 -0.24 -0.13 -0.33 -0.34 0.00 0.00 178.44 177.52 1s4q h GLU 190 N -0.12 0.73 0.00 1.25 3.07 -1.99 -0.73 114.58 116.79 1s4q h GLU 190 Ca 0.21 -0.25 -0.15 0.00 -0.50 0.00 0.00 59.36 58.67 1s4q h GLU 190 Cb 0.45 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 1s4q h GLU 190 CO -0.51 0.83 -0.74 0.66 -1.40 0.00 0.00 179.01 177.85 1s4q h SER 191 N 0.66 0.00 -0.30 1.42 4.64 -1.93 -1.15 113.55 116.89 1s4q h SER 191 Ca 0.11 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.30 1s4q h SER 191 Cb 0.60 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1s4q h SER 191 CO 0.04 0.68 -0.32 0.00 -0.87 0.00 0.00 176.83 176.36 1s4q h ALA 192 N 1.32 0.45 -0.27 5.18 0.00 -0.66 -1.51 119.26 123.77 1s4q h ALA 192 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1s4q h ALA 192 Cb 1.54 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1s4q h ALA 192 CO 0.09 0.50 0.17 0.00 0.00 0.00 0.00 179.25 180.00 1s4q h ALA 194 N 1.08 0.42 -0.90 0.00 0.00 -1.10 0.24 119.26 118.99 1s4q h ALA 194 Ca 0.10 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1s4q h ALA 194 Cb -0.02 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1s4q h ALA 194 CO -0.02 -0.26 0.57 0.93 0.00 0.00 0.00 179.25 180.48 1s4q h GLU 195 N 0.29 1.06 -0.43 0.00 5.08 -1.12 -1.80 114.58 117.66 1s4q h GLU 195 Ca 0.16 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 1s4q h GLU 195 Cb 0.12 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1s4q h GLU 195 CO -0.15 0.70 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.26 1s4q h LEU 196 N 1.09 0.88 -0.45 1.33 3.38 -0.70 -1.50 115.31 119.34 1s4q h LEU 196 Ca 0.37 -0.32 0.08 0.00 0.09 0.00 0.00 57.88 58.10 1s4q h LEU 196 Cb 0.07 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.51 1s4q h LEU 196 CO -0.14 1.07 0.02 0.58 0.09 0.00 0.00 178.44 180.06 1s4q h VAL 197 N 0.75 0.68 -0.58 1.22 2.07 -0.66 -0.26 116.25 119.47 1s4q h VAL 197 Ca 0.10 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.52 1s4q h VAL 197 Cb 0.76 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1s4q h VAL 197 CO 0.06 0.02 0.13 0.28 0.02 0.00 0.00 177.57 178.09 1s4q h SER 198 N 0.14 0.86 -0.86 0.57 0.02 -1.12 -0.99 113.55 112.16 1s4q h SER 198 Ca 0.22 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1s4q h SER 198 Cb 0.32 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 1s4q h SER 198 CO -0.35 0.84 0.42 -0.07 -1.14 0.00 0.00 176.83 176.53 1s4q h LEU 199 N 0.87 1.11 -0.02 5.07 3.38 -0.78 -2.60 115.31 122.34 1s4q h LEU 199 Ca 0.19 -0.13 -0.26 0.00 0.09 0.00 0.00 57.88 57.77 1s4q h LEU 199 Cb 0.33 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1s4q h LEU 199 CO 0.00 0.93 -1.10 -0.07 0.09 0.00 0.00 178.44 178.29 1s4q h LEU 200 N 1.22 0.65 -3.86 1.67 3.38 -0.09 -3.24 115.31 115.04 1s4q h LEU 200 Ca 0.30 -0.57 -0.56 0.00 0.09 0.00 0.00 57.88 57.13 1s4q h LEU 200 Cb 0.10 -0.20 -0.30 0.00 0.09 0.00 0.00 40.66 40.35 1s4q h LEU 200 CO -0.04 1.39 0.32 1.33 0.09 0.00 0.00 178.44 181.53 1s4q n VAL 201 N -3.73 3.18 -0.15 1.22 0.24 -0.47 -4.48 118.33 114.15 1s4q n VAL 201 Ca -0.09 -3.08 0.00 0.00 -2.04 0.00 0.00 64.34 59.13 1s4q n VAL 201 Cb 0.92 -0.95 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 1s4q n VAL 201 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30