#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q4n s PRO 15 N 0.00 3.54 -0.07 0.52 0.04 -1.26 -4.76 135.00 133.01 2q4n s PRO 15 Ca 0.00 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 2q4n s PRO 15 Cb 0.00 -2.40 -0.05 0.00 0.04 0.00 0.00 34.50 32.09 2q4n s PRO 15 CO 0.00 -0.80 1.60 0.08 0.04 0.00 0.00 177.00 177.91 2q4n s VAL 16 N -1.40 3.68 0.45 -0.36 1.01 -1.26 -4.28 120.40 118.24 2q4n s VAL 16 Ca 0.66 0.83 -0.24 0.00 0.00 0.00 0.00 61.98 63.22 2q4n s VAL 16 Cb -0.35 -3.53 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 2q4n s VAL 16 CO 0.42 -0.07 1.20 1.57 0.00 0.00 0.00 175.10 178.22 2q4n n HIS 17 N 7.06 1.83 -0.12 5.22 -0.00 -1.26 -4.73 115.22 123.22 2q4n n HIS 17 Ca 0.17 0.50 0.21 0.00 0.46 0.00 0.00 57.72 59.06 2q4n n HIS 17 Cb 0.43 -2.32 0.63 0.00 -0.12 0.00 0.00 29.99 28.61 2q4n n HIS 17 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2q4n h PRO 18 N 1.76 0.15 0.00 1.57 0.11 -1.93 0.46 132.00 134.12 2q4n h PRO 18 Ca -0.47 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 2q4n h PRO 18 Cb 1.31 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2q4n h PRO 18 CO 0.58 0.10 -0.17 0.74 -0.21 0.00 0.00 178.00 179.05 2q4n h PHE 19 N 0.16 0.00 0.14 0.65 -1.00 -1.92 -3.27 116.94 111.70 2q4n h PHE 19 Ca 0.35 0.00 -0.35 0.00 2.81 0.00 0.00 57.97 60.78 2q4n h PHE 19 Cb 1.16 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.72 2q4n h PHE 19 CO -0.00 0.17 -1.84 0.28 -1.61 0.00 0.00 178.31 175.31 2q4n h VAL 20 N 0.00 0.81 -1.07 -0.55 2.07 -0.44 -3.39 116.25 113.69 2q4n h VAL 20 Ca -0.00 -2.48 0.31 0.00 0.82 0.00 0.00 66.70 65.35 2q4n h VAL 20 Cb 0.65 2.63 -0.12 0.00 -1.52 0.00 0.00 31.29 32.93 2q4n h VAL 20 CO 0.02 0.86 0.65 0.00 0.02 0.00 0.00 177.57 179.12 2q4n h ALA 21 N 0.18 2.13 0.00 1.67 0.00 -1.38 0.16 119.26 122.02 2q4n h ALA 21 Ca -0.37 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2q4n h ALA 21 Cb 2.06 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.95 2q4n h ALA 21 CO 0.13 -0.66 -0.03 -1.35 0.00 0.00 0.00 179.25 177.34 2q4n h PRO 22 N 0.36 0.00 -0.28 0.00 0.11 -1.76 -1.62 132.00 128.81 2q4n h PRO 22 Ca 0.69 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.80 2q4n h PRO 22 Cb 1.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.80 2q4n h PRO 22 CO -0.46 0.03 0.00 1.28 -0.21 0.00 0.00 178.00 178.64 2q4n n LEU 23 N -3.66 3.22 0.25 2.35 4.77 0.44 -4.80 117.00 119.58 2q4n n LEU 23 Ca -0.03 -2.44 0.15 0.00 -0.03 0.00 0.00 56.01 53.67 2q4n n LEU 23 Cb 0.12 -0.35 0.83 0.00 -2.33 0.00 0.00 43.42 41.69 2q4n n LEU 23 CO 0.27 0.69 1.00 0.77 -1.33 0.00 0.00 177.39 178.80 2q4n h SER 24 N 1.74 0.00 0.09 -1.43 4.64 -0.20 -2.78 113.55 115.62 2q4n h SER 24 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2q4n h SER 24 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2q4n h SER 24 CO 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 2q4n n TYR 25 N -2.63 0.00 0.04 4.77 0.18 -1.26 -1.01 117.16 117.25 2q4n n TYR 25 Ca -0.02 0.00 0.06 0.00 1.88 0.00 0.00 57.90 59.82 2q4n n TYR 25 Cb 0.14 -0.25 -0.08 0.00 -0.38 0.00 0.00 39.34 38.77 2q4n n TYR 25 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 2q4n n LEU 26 N -1.25 0.58 -4.76 -3.48 4.77 -1.05 -4.96 117.00 106.84 2q4n n LEU 26 Ca 0.03 0.24 -0.41 0.00 -0.03 0.00 0.00 56.01 55.84 2q4n n LEU 26 Cb 0.04 0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 2q4n n LEU 26 CO 0.04 0.01 0.97 -0.76 -1.33 0.00 0.00 177.39 176.31 2q4n s LEU 27 N -5.28 4.44 0.00 2.23 1.43 -0.18 -4.42 118.68 116.89 2q4n s LEU 27 Ca -0.04 2.61 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 2q4n s LEU 27 Cb 0.10 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.68 2q4n s LEU 27 CO 0.83 -0.50 0.00 0.61 0.23 0.00 0.00 176.35 177.52 2q4n n GLY 28 N 1.12 0.54 3.21 -3.19 0.00 -0.51 -4.95 105.19 101.41 2q4n n GLY 28 Ca 0.01 -2.17 -0.22 0.00 0.00 0.00 0.00 46.02 43.64 2q4n n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q4n s THR 29 N -0.50 1.41 -0.01 2.61 2.01 -1.26 -0.42 115.64 119.49 2q4n s THR 29 Ca 0.00 -1.21 0.03 0.00 0.31 0.00 0.00 61.69 60.82 2q4n s THR 29 Cb 0.00 -1.27 -0.01 0.00 0.01 0.00 0.00 72.50 71.24 2q4n s THR 29 CO 0.00 0.03 -0.10 0.26 -0.69 0.00 0.00 174.62 174.12 2q4n s TRP 30 N -0.95 0.94 -0.00 4.92 0.52 -0.08 0.13 118.94 124.43 2q4n s TRP 30 Ca 0.04 -0.18 -0.01 0.00 0.02 0.00 0.00 56.10 55.97 2q4n s TRP 30 Cb -0.09 -0.61 -0.00 0.00 -1.15 0.00 0.00 33.47 31.62 2q4n s TRP 30 CO 0.02 -0.02 0.01 0.50 0.02 0.00 0.00 176.95 177.48 2q4n s ARG 31 N -0.22 0.10 0.00 4.98 3.52 0.42 -1.22 118.95 126.52 2q4n s ARG 31 Ca 0.04 -0.12 0.00 0.00 -0.13 0.00 0.00 55.73 55.52 2q4n s ARG 31 Cb -0.04 0.04 0.00 0.00 -1.56 0.00 0.00 34.95 33.38 2q4n s ARG 31 CO -0.00 -0.02 0.00 0.41 -0.81 0.00 0.00 175.30 174.88 2q4n n GLY 32 N 2.72 1.02 3.26 8.12 0.00 0.05 -0.70 105.19 119.67 2q4n n GLY 32 Ca -0.15 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 2q4n n GLY 32 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2q4n s GLN 33 N 2.00 1.20 0.15 1.61 -2.07 -1.21 -0.71 119.66 120.63 2q4n s GLN 33 Ca 0.00 -1.60 -0.01 0.00 -1.82 0.00 0.00 55.36 51.93 2q4n s GLN 33 Cb 0.00 -0.25 0.00 0.00 -1.09 0.00 0.00 33.01 31.67 2q4n s GLN 33 CO 0.00 -0.19 0.21 0.41 -1.32 0.00 0.00 175.29 174.40 2q4n n GLY 34 N -0.31 2.72 3.61 2.60 0.00 0.11 -2.98 105.19 110.94 2q4n n GLY 34 Ca -0.04 -1.49 -0.14 0.00 0.00 0.00 0.00 46.02 44.35 2q4n n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2q4n s GLU 35 N -2.35 0.85 0.29 1.61 2.02 -0.66 -0.94 118.70 119.53 2q4n s GLU 35 Ca 0.13 0.82 0.11 0.00 0.02 0.00 0.00 54.97 56.05 2q4n s GLU 35 Cb -0.00 0.41 -0.05 0.00 0.10 0.00 0.00 34.13 34.58 2q4n s GLU 35 CO 0.09 -0.14 -0.15 0.20 0.02 0.00 0.00 175.26 175.28 2q4n s GLY 36 N 0.06 1.94 -0.02 -1.39 0.00 -0.56 -1.92 107.32 105.42 2q4n s GLY 36 Ca -0.02 -1.91 -0.29 0.00 0.00 0.00 0.00 44.72 42.51 2q4n s GLY 36 CO 0.02 -1.96 0.79 -1.83 0.00 0.00 0.00 173.10 170.12 2q4n s GLU 37 N -3.55 0.94 -0.20 2.90 -1.05 -0.13 -3.17 118.70 114.43 2q4n s GLU 37 Ca 0.31 -0.06 -0.30 0.00 -0.15 0.00 0.00 54.97 54.77 2q4n s GLU 37 Cb -0.03 0.44 0.15 0.00 -0.44 0.00 0.00 34.13 34.24 2q4n s GLU 37 CO 0.16 -0.35 1.14 -0.47 0.95 0.00 0.00 175.26 176.69 2q4n s TYR 38 N -2.17 -0.23 0.32 4.83 5.04 -1.26 -4.26 117.35 119.62 2q4n s TYR 38 Ca -0.02 0.36 0.07 0.00 -2.44 0.00 0.00 57.07 55.03 2q4n s TYR 38 Cb -0.01 0.48 0.90 0.00 0.35 0.00 0.00 41.96 43.68 2q4n s TYR 38 CO -0.01 -0.23 1.60 -1.35 -1.34 0.00 0.00 175.55 174.22 2q4n h PRO 39 N 2.30 0.08 0.00 4.97 0.11 -2.01 -3.36 132.00 134.08 2q4n h PRO 39 Ca -0.14 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 2q4n h PRO 39 Cb 1.17 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2q4n h PRO 39 CO 0.27 0.05 0.00 0.25 -0.21 0.00 0.00 178.00 178.36 2q4n n THR 40 N -5.34 0.00 -0.97 -1.15 -2.24 -1.26 -5.00 114.28 98.32 2q4n n THR 40 Ca 0.27 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.72 2q4n n THR 40 Cb 0.87 -0.22 0.14 0.00 -2.10 0.00 0.00 70.33 69.02 2q4n n THR 40 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2q4n s ILE 41 N 0.00 2.01 0.45 2.28 -4.36 -1.26 -4.97 121.20 115.36 2q4n s ILE 41 Ca 0.00 0.01 -0.20 0.00 -0.26 0.00 0.00 60.65 60.19 2q4n s ILE 41 Cb 0.00 -2.28 -0.10 0.00 1.25 0.00 0.00 42.46 41.33 2q4n s ILE 41 CO 0.00 -0.00 0.97 -2.16 0.24 0.00 0.00 174.94 173.98 2q4n s PRO 42 N -4.29 4.12 0.81 0.37 0.04 -1.26 -4.47 135.00 130.31 2q4n s PRO 42 Ca 0.71 1.14 -0.13 0.00 0.04 0.00 0.00 61.00 62.76 2q4n s PRO 42 Cb -0.27 -2.16 0.08 0.00 0.04 0.00 0.00 34.50 32.20 2q4n s PRO 42 CO 0.53 -0.13 1.19 -1.13 0.04 0.00 0.00 177.00 177.50 2q4n n SER 43 N -0.82 0.95 -3.49 6.66 3.41 -1.26 -4.91 113.62 114.17 2q4n n SER 43 Ca 0.07 0.58 -0.12 0.00 -0.26 0.00 0.00 58.87 59.14 2q4n n SER 43 Cb 0.54 -1.50 -0.03 0.00 -0.26 0.00 0.00 64.21 62.96 2q4n n SER 43 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2q4n s PHE 44 N -2.15 -0.44 0.20 7.33 -0.71 -1.19 -5.03 117.98 115.98 2q4n s PHE 44 Ca 0.73 0.23 0.11 0.00 -1.04 0.00 0.00 56.93 56.96 2q4n s PHE 44 Cb -0.29 0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 41.94 2q4n s PHE 44 CO 0.51 -0.79 -0.24 1.03 -1.34 0.00 0.00 175.22 174.39 2q4n s ARG 45 N -3.66 1.51 0.04 1.99 0.52 -1.26 -1.50 118.95 116.61 2q4n s ARG 45 Ca 0.01 -1.53 -0.25 0.00 -0.52 0.00 0.00 55.73 53.44 2q4n s ARG 45 Cb -0.00 -1.82 0.06 0.00 0.52 0.00 0.00 34.95 33.70 2q4n s ARG 45 CO -0.12 0.39 0.57 1.52 0.02 0.00 0.00 175.30 177.69 2q4n s TYR 46 N -1.71 -0.50 0.34 -0.53 1.13 -0.11 -4.50 117.35 111.46 2q4n s TYR 46 Ca 0.21 0.60 -0.01 0.00 -1.41 0.00 0.00 57.07 56.46 2q4n s TYR 46 Cb -0.08 0.40 -0.04 0.00 -1.10 0.00 0.00 41.96 41.14 2q4n s TYR 46 CO 0.10 -0.67 0.56 0.20 -2.51 0.00 0.00 175.55 173.22 2q4n s GLY 47 N -1.92 1.47 -0.08 5.49 0.00 0.18 0.09 107.32 112.54 2q4n s GLY 47 Ca -0.06 -0.81 -0.09 0.00 0.00 0.00 0.00 44.72 43.76 2q4n s GLY 47 CO -0.01 -0.74 0.24 1.85 0.00 0.00 0.00 173.10 174.45 2q4n s GLU 48 N -4.16 0.32 -0.04 2.90 2.12 0.11 -1.75 118.70 118.20 2q4n s GLU 48 Ca 0.41 0.27 0.03 0.00 0.36 0.00 0.00 54.97 56.04 2q4n s GLU 48 Cb -0.10 0.15 0.00 0.00 0.26 0.00 0.00 34.13 34.45 2q4n s GLU 48 CO 0.35 -0.05 -0.12 -2.00 -0.54 0.00 0.00 175.26 172.91 2q4n s GLU 49 N -0.04 1.32 0.05 4.30 2.12 -0.97 -0.77 118.70 124.72 2q4n s GLU 49 Ca -0.02 -0.40 0.03 0.00 0.36 0.00 0.00 54.97 54.95 2q4n s GLU 49 Cb -0.02 -1.17 -0.03 0.00 0.26 0.00 0.00 34.13 33.17 2q4n s GLU 49 CO 0.01 0.12 -0.10 0.42 -0.54 0.00 0.00 175.26 175.17 2q4n s ILE 50 N 0.28 0.74 -0.02 -3.70 1.01 -0.36 -2.31 121.20 116.84 2q4n s ILE 50 Ca -0.06 -1.14 0.02 0.00 0.00 0.00 0.00 60.65 59.47 2q4n s ILE 50 Cb -0.11 -0.76 -0.00 0.00 0.01 0.00 0.00 42.46 41.60 2q4n s ILE 50 CO 0.02 -0.32 -0.08 -0.60 0.00 0.00 0.00 174.94 173.95 2q4n s ARG 51 N -1.61 0.83 -0.19 2.79 3.52 -0.69 -0.90 118.95 122.69 2q4n s ARG 51 Ca -0.07 -0.29 -0.03 0.00 -0.13 0.00 0.00 55.73 55.21 2q4n s ARG 51 Cb -0.10 -0.79 -0.01 0.00 -1.56 0.00 0.00 34.95 32.49 2q4n s ARG 51 CO 0.01 0.13 -0.06 -0.06 -0.81 0.00 0.00 175.30 174.51 2q4n s PHE 52 N 0.06 2.93 0.37 5.12 0.08 0.44 -2.17 117.98 124.81 2q4n s PHE 52 Ca -0.01 -0.82 0.04 0.00 0.12 0.00 0.00 56.93 56.26 2q4n s PHE 52 Cb -0.07 -2.03 -0.03 0.00 -0.57 0.00 0.00 43.02 40.32 2q4n s PHE 52 CO 0.00 -0.43 0.12 -1.54 -0.10 0.00 0.00 175.22 173.27 2q4n s SER 53 N 1.12 2.51 0.27 1.36 1.04 -1.12 -1.42 113.70 117.45 2q4n s SER 53 Ca 0.01 -1.59 -0.16 0.00 0.48 0.00 0.00 55.95 54.70 2q4n s SER 53 Cb -0.15 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.34 2q4n s SER 53 CO -0.01 -0.85 0.59 -1.38 0.98 0.00 0.00 173.24 172.57 2q4n s HIS 54 N -3.29 0.16 -0.03 5.02 -3.43 -1.26 -1.73 115.29 110.72 2q4n s HIS 54 Ca 0.28 -0.58 0.15 0.00 -0.80 0.00 0.00 55.06 54.12 2q4n s HIS 54 Cb 0.04 0.42 0.28 0.00 -1.43 0.00 0.00 32.58 31.89 2q4n s HIS 54 CO 0.15 -1.13 1.12 -1.13 -2.00 0.00 0.00 174.74 171.75 2q4n n SER 55 N -0.52 0.87 0.00 7.38 3.41 -1.26 -4.91 113.62 118.59 2q4n n SER 55 Ca -0.03 -2.31 0.00 0.00 -0.26 0.00 0.00 58.87 56.27 2q4n n SER 55 Cb 0.61 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 2q4n n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2q4n n GLY 56 N -0.00 2.93 3.88 5.00 0.00 -1.26 -4.91 105.19 110.83 2q4n n GLY 56 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2q4n n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q4n s LYS 57 N -0.87 2.33 0.00 1.61 -0.14 -1.26 -4.05 119.74 117.36 2q4n s LYS 57 Ca 0.00 0.29 -0.02 0.00 -1.36 0.00 0.00 55.97 54.88 2q4n s LYS 57 Cb 0.00 -1.98 -0.11 0.00 -1.68 0.00 0.00 37.83 34.06 2q4n s LYS 57 CO 0.00 -1.37 2.37 -0.35 -0.76 0.00 0.00 175.35 175.24 2q4n n PRO 58 N -3.20 1.24 -3.71 -1.68 -0.04 -1.26 -4.46 135.00 121.89 2q4n n PRO 58 Ca 0.07 -0.41 -0.13 0.00 -0.04 0.00 0.00 63.50 63.00 2q4n n PRO 58 Cb 0.59 -1.49 -0.13 0.00 -0.04 0.00 0.00 33.50 32.42 2q4n n PRO 58 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2q4n s VAL 59 N 0.83 -0.15 -0.24 0.52 1.01 -1.26 -4.20 120.40 116.91 2q4n s VAL 59 Ca 0.27 0.20 -0.08 0.00 0.00 0.00 0.00 61.98 62.37 2q4n s VAL 59 Cb 0.13 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 2q4n s VAL 59 CO 0.00 0.08 0.10 -0.63 0.00 0.00 0.00 175.10 174.65 2q4n s ILE 60 N 1.61 4.74 0.16 2.22 1.01 -0.45 -4.43 121.20 126.06 2q4n s ILE 60 Ca -0.06 -0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.26 2q4n s ILE 60 Cb -0.11 -3.20 -0.07 0.00 0.01 0.00 0.00 42.46 39.08 2q4n s ILE 60 CO -0.08 0.35 1.08 0.00 0.00 0.00 0.00 174.94 176.29 2q4n s ALA 61 N 1.29 3.35 -0.10 9.38 0.00 -0.71 -0.43 121.76 134.55 2q4n s ALA 61 Ca 0.06 0.77 0.03 0.00 0.00 0.00 0.00 51.96 52.82 2q4n s ALA 61 Cb -0.15 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 2q4n s ALA 61 CO 0.05 -0.18 -0.21 -0.47 0.00 0.00 0.00 175.76 174.95 2q4n s TYR 62 N -0.13 2.61 0.01 0.00 5.04 0.27 -2.79 117.35 122.36 2q4n s TYR 62 Ca 0.49 -0.81 0.02 0.00 -2.44 0.00 0.00 57.07 54.33 2q4n s TYR 62 Cb -0.28 -1.72 -0.01 0.00 0.35 0.00 0.00 41.96 40.30 2q4n s TYR 62 CO 0.34 -0.28 -0.05 0.95 -1.34 0.00 0.00 175.55 175.17 2q4n s THR 63 N 0.16 0.39 0.05 4.34 -4.23 -0.92 0.15 115.64 115.57 2q4n s THR 63 Ca -0.11 -0.50 -0.02 0.00 -1.18 0.00 0.00 61.69 59.87 2q4n s THR 63 Cb -0.16 -0.39 -0.03 0.00 1.34 0.00 0.00 72.50 73.27 2q4n s THR 63 CO 0.06 -0.08 0.01 -1.58 -0.54 0.00 0.00 174.62 172.50 2q4n s GLN 64 N -0.63 0.58 -0.15 3.99 -0.44 0.55 -1.71 119.66 121.85 2q4n s GLN 64 Ca -0.03 -1.01 -0.29 0.00 -2.50 0.00 0.00 55.36 51.54 2q4n s GLN 64 Cb -0.05 0.21 0.09 0.00 -1.64 0.00 0.00 33.01 31.62 2q4n s GLN 64 CO -0.00 -0.12 0.80 -1.59 0.50 0.00 0.00 175.29 174.88 2q4n s LYS 65 N -3.26 0.84 0.10 1.67 -2.85 -0.98 -0.79 119.74 114.47 2q4n s LYS 65 Ca 0.01 0.43 -0.01 0.00 -1.00 0.00 0.00 55.97 55.41 2q4n s LYS 65 Cb 0.03 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 2q4n s LYS 65 CO -0.08 -0.21 0.01 0.95 0.10 0.00 0.00 175.35 176.12 2q4n s THR 66 N -0.66 0.25 -0.06 3.79 -4.23 -0.75 -2.28 115.64 111.69 2q4n s THR 66 Ca -0.05 -1.88 -0.31 0.00 -1.18 0.00 0.00 61.69 58.27 2q4n s THR 66 Cb -0.02 -1.83 0.08 0.00 1.34 0.00 0.00 72.50 72.07 2q4n s THR 66 CO 0.04 -0.70 0.72 -1.66 -0.54 0.00 0.00 174.62 172.48 2q4n s TRP 67 N -3.93 -0.62 0.23 3.99 -2.14 -0.72 -2.25 118.94 113.49 2q4n s TRP 67 Ca 0.17 1.07 -0.30 0.00 2.66 0.00 0.00 56.10 59.69 2q4n s TRP 67 Cb 0.07 0.42 -0.10 0.00 -3.10 0.00 0.00 33.47 30.76 2q4n s TRP 67 CO -0.03 -0.58 1.41 0.15 -2.66 0.00 0.00 176.95 175.24 2q4n s LYS 68 N -1.19 4.30 0.60 3.25 1.02 -1.20 0.50 119.74 127.02 2q4n s LYS 68 Ca -0.10 2.24 0.33 0.00 0.02 0.00 0.00 55.97 58.46 2q4n s LYS 68 Cb -0.00 -3.14 1.95 0.00 -0.52 0.00 0.00 37.83 36.12 2q4n s LYS 68 CO 0.09 -0.39 2.27 -0.07 -0.92 0.00 0.00 175.35 176.33 2q4n h LEU 69 N 5.28 0.00 -5.82 3.17 3.38 -1.90 -3.09 115.31 116.32 2q4n h LEU 69 Ca -0.45 0.00 -0.77 0.00 0.09 0.00 0.00 57.88 56.75 2q4n h LEU 69 Cb 1.22 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.73 2q4n h LEU 69 CO 0.79 0.01 1.30 -1.84 0.09 0.00 0.00 178.44 178.78 2q4n n GLU 70 N -3.66 4.66 0.00 1.13 0.00 -1.26 -4.29 120.64 117.23 2q4n n GLU 70 Ca -0.03 -4.09 0.00 0.00 0.00 0.00 0.00 57.16 53.04 2q4n n GLU 70 Cb 0.09 -2.45 0.00 0.00 0.00 0.00 0.00 31.44 29.08 2q4n n GLU 70 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2q4n n SER 71 N 0.30 0.00 -0.05 -1.84 3.41 -1.26 -4.88 113.62 109.31 2q4n n SER 71 Ca 0.52 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 59.12 2q4n n SER 71 Cb 0.27 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.22 2q4n n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2q4n n GLY 72 N 0.00 0.30 3.74 5.00 0.00 -1.17 -4.96 105.19 108.10 2q4n n GLY 72 Ca 0.00 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2q4n n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q4n s ALA 73 N -1.55 3.60 1.05 4.61 0.00 -1.26 -4.91 121.76 123.29 2q4n s ALA 73 Ca 0.00 1.25 -0.12 0.00 0.00 0.00 0.00 51.96 53.09 2q4n s ALA 73 Cb 0.00 -3.53 0.22 0.00 0.00 0.00 0.00 23.12 19.80 2q4n s ALA 73 CO 0.00 -0.67 1.07 -2.14 0.00 0.00 0.00 175.76 174.02 2q4n s PRO 74 N -0.18 0.01 0.92 0.00 0.02 -1.26 -3.23 135.00 131.28 2q4n s PRO 74 Ca 0.59 0.82 -0.14 0.00 0.02 0.00 0.00 61.00 62.29 2q4n s PRO 74 Cb -0.40 -1.66 0.15 0.00 0.02 0.00 0.00 34.50 32.61 2q4n s PRO 74 CO 0.41 -3.09 1.22 -1.01 -0.33 0.00 0.00 177.00 174.19 2q4n s HIS 76 N -2.70 2.18 0.08 6.54 3.76 -0.95 -4.86 115.29 119.34 2q4n s HIS 76 Ca 0.66 0.60 -0.14 0.00 -0.15 0.00 0.00 55.06 56.03 2q4n s HIS 76 Cb -0.22 -3.70 0.02 0.00 1.11 0.00 0.00 32.58 29.80 2q4n s HIS 76 CO 0.61 -2.38 0.34 0.00 -0.85 0.00 0.00 174.74 172.45 2q4n s ALA 77 N -3.58 -0.75 -0.02 -1.40 0.00 -1.26 -1.82 121.76 112.93 2q4n s ALA 77 Ca 0.67 -0.06 -0.24 0.00 0.00 0.00 0.00 51.96 52.33 2q4n s ALA 77 Cb -0.09 0.47 0.05 0.00 0.00 0.00 0.00 23.12 23.55 2q4n s ALA 77 CO 0.52 -0.51 0.54 -1.83 0.00 0.00 0.00 175.76 174.47 2q4n s GLU 78 N -3.16 0.94 0.28 0.00 -1.05 0.03 0.02 118.70 115.77 2q4n s GLU 78 Ca -0.01 0.03 -0.18 0.00 -0.15 0.00 0.00 54.97 54.67 2q4n s GLU 78 Cb 0.01 0.43 0.02 0.00 -0.44 0.00 0.00 34.13 34.15 2q4n s GLU 78 CO -0.07 -0.29 0.65 -1.54 0.95 0.00 0.00 175.26 174.96 2q4n s SER 79 N -1.38 -0.15 0.00 0.83 1.04 -0.55 -0.33 113.70 113.16 2q4n s SER 79 Ca -0.11 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.54 2q4n s SER 79 Cb -0.02 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.80 2q4n s SER 79 CO 0.06 -1.33 0.00 0.61 0.98 0.00 0.00 173.24 173.56 2q4n n GLY 80 N -0.45 -0.48 3.25 7.32 0.00 0.12 -0.37 105.19 114.59 2q4n n GLY 80 Ca -0.04 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 2q4n n GLY 80 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2q4n s TYR 81 N -2.77 -0.16 -0.13 1.61 2.02 -0.24 0.96 117.35 118.64 2q4n s TYR 81 Ca 0.00 0.15 -0.00 0.00 -0.37 0.00 0.00 57.07 56.85 2q4n s TYR 81 Cb 0.00 0.11 0.03 0.00 -0.40 0.00 0.00 41.96 41.69 2q4n s TYR 81 CO 0.00 -0.45 -0.10 -0.06 -1.57 0.00 0.00 175.55 173.37 2q4n s PHE 82 N -1.90 1.75 -0.38 2.71 0.40 0.43 -0.44 117.98 120.55 2q4n s PHE 82 Ca -0.09 -0.94 0.04 0.00 -0.60 0.00 0.00 56.93 55.33 2q4n s PHE 82 Cb -0.03 -1.37 0.11 0.00 0.51 0.00 0.00 43.02 42.24 2q4n s PHE 82 CO 0.01 -0.58 0.10 1.03 0.70 0.00 0.00 175.22 176.48 2q4n s ARG 83 N 1.62 1.61 0.59 0.44 0.52 -0.54 -1.34 118.95 121.85 2q4n s ARG 83 Ca 0.05 -2.06 -0.14 0.00 -0.52 0.00 0.00 55.73 53.05 2q4n s ARG 83 Cb -0.13 -3.24 -0.04 0.00 0.52 0.00 0.00 34.95 32.06 2q4n s ARG 83 CO -0.09 -0.98 1.03 -1.25 0.02 0.00 0.00 175.30 174.03 2q4n s PRO 84 N 0.61 3.51 -0.01 3.54 0.04 -1.26 -2.42 135.00 139.01 2q4n s PRO 84 Ca 0.12 1.00 0.05 0.00 0.04 0.00 0.00 61.00 62.21 2q4n s PRO 84 Cb -0.21 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 2q4n s PRO 84 CO -0.06 -0.64 -0.16 1.03 0.04 0.00 0.00 177.00 177.21 2q4n s ARG 85 N -4.43 1.36 0.04 4.56 0.52 0.25 -4.91 118.95 116.33 2q4n s ARG 85 Ca 0.60 -0.59 0.11 0.00 -0.52 0.00 0.00 55.73 55.33 2q4n s ARG 85 Cb -0.13 -1.30 0.49 0.00 0.52 0.00 0.00 34.95 34.53 2q4n s ARG 85 CO 0.41 0.34 1.35 -0.35 0.02 0.00 0.00 175.30 177.08 2q4n n PRO 86 N 2.71 0.02 -0.03 3.54 -0.04 -1.26 0.29 135.00 140.23 2q4n n PRO 86 Ca -0.15 0.36 0.09 0.00 -0.04 0.00 0.00 63.50 63.76 2q4n n PRO 86 Cb 0.54 -1.55 0.45 0.00 -0.04 0.00 0.00 33.50 32.90 2q4n n PRO 86 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2q4n n ASP 87 N -1.60 0.63 0.00 3.54 5.75 -1.26 -4.92 116.55 118.69 2q4n n ASP 87 Ca 0.02 -1.57 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 2q4n n ASP 87 Cb 0.12 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 2q4n n ASP 87 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2q4n n GLY 88 N 0.90 1.36 3.84 6.12 0.00 0.15 -5.05 105.19 112.49 2q4n n GLY 88 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2q4n n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2q4n s SER 89 N -2.54 6.25 -0.21 1.61 1.04 -1.22 -1.42 113.70 117.21 2q4n s SER 89 Ca 0.00 1.59 -0.27 0.00 0.48 0.00 0.00 55.95 57.75 2q4n s SER 89 Cb 0.00 -2.50 0.10 0.00 0.10 0.00 0.00 66.02 63.71 2q4n s SER 89 CO 0.00 -0.84 0.85 -0.51 0.98 0.00 0.00 173.24 173.72 2q4n s ILE 90 N -2.75 0.00 0.06 -1.02 2.07 -1.11 0.87 121.20 119.32 2q4n s ILE 90 Ca 0.59 0.00 0.08 0.00 -1.41 0.00 0.00 60.65 59.91 2q4n s ILE 90 Cb -0.12 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.44 2q4n s ILE 90 CO 0.40 0.00 -0.22 -1.83 -1.91 0.00 0.00 174.94 171.38 2q4n s GLU 91 N -0.22 1.38 -0.07 3.50 -1.05 -1.02 -2.12 118.70 119.11 2q4n s GLU 91 Ca -0.01 -1.03 0.02 0.00 -0.15 0.00 0.00 54.97 53.80 2q4n s GLU 91 Cb -0.03 -1.55 0.02 0.00 -0.44 0.00 0.00 34.13 32.12 2q4n s GLU 91 CO 0.01 0.39 -0.11 0.08 0.95 0.00 0.00 175.26 176.58 2q4n s VAL 92 N -0.89 1.06 -0.06 1.83 1.01 -0.22 -1.46 120.40 121.66 2q4n s VAL 92 Ca 0.08 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.65 2q4n s VAL 92 Cb -0.09 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 2q4n s VAL 92 CO 0.03 0.34 -0.08 0.68 0.00 0.00 0.00 175.10 176.06 2q4n s VAL 93 N 0.78 3.58 -0.00 2.92 -7.23 0.42 -1.03 120.40 119.84 2q4n s VAL 93 Ca -0.13 -0.55 0.01 0.00 -1.81 0.00 0.00 61.98 59.50 2q4n s VAL 93 Cb -0.15 -2.46 -0.00 0.00 0.56 0.00 0.00 36.38 34.33 2q4n s VAL 93 CO 0.02 0.58 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.75 2q4n s ILE 94 N -0.81 0.16 -0.09 -0.62 1.01 -0.88 -1.08 121.20 118.89 2q4n s ILE 94 Ca 0.13 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.72 2q4n s ILE 94 Cb -0.11 -0.14 -0.02 0.00 0.01 0.00 0.00 42.46 42.20 2q4n s ILE 94 CO 0.02 0.05 -0.15 0.00 0.00 0.00 0.00 174.94 174.86 2q4n s ALA 95 N -0.00 2.59 0.02 9.38 0.00 0.50 -1.41 121.76 132.84 2q4n s ALA 95 Ca 0.00 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2q4n s ALA 95 Cb -0.01 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 2q4n s ALA 95 CO -0.00 0.40 0.04 -0.65 0.00 0.00 0.00 175.76 175.55 2q4n s GLN 96 N -0.17 2.87 0.57 0.00 -0.21 -1.09 -1.49 119.66 120.14 2q4n s GLN 96 Ca -0.01 -0.60 0.32 0.00 0.02 0.00 0.00 55.36 55.09 2q4n s GLN 96 Cb -0.13 -2.73 1.41 0.00 1.00 0.00 0.00 33.01 32.56 2q4n s GLN 96 CO 0.03 0.62 1.75 0.77 -2.12 0.00 0.00 175.29 176.33 2q4n h SER 97 N 4.01 0.00 0.79 5.90 0.02 -0.76 0.92 113.55 124.43 2q4n h SER 97 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2q4n h SER 97 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2q4n h SER 97 CO 0.61 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 176.65 2q4n n THR 98 N -3.81 0.22 -1.57 -2.27 -2.24 -1.26 -4.91 114.28 98.44 2q4n n THR 98 Ca 0.18 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 2q4n n THR 98 Cb 1.08 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 2q4n n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2q4n n GLY 99 N 1.10 0.97 2.93 3.38 0.00 0.32 -5.09 105.19 108.78 2q4n n GLY 99 Ca 0.08 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 2q4n n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q4n s LEU 100 N -0.54 2.56 0.46 0.99 1.02 -1.24 -4.59 118.68 117.35 2q4n s LEU 100 Ca 0.00 -1.20 0.01 0.00 0.02 0.00 0.00 54.13 52.96 2q4n s LEU 100 Cb 0.00 -1.16 0.01 0.00 0.02 0.00 0.00 46.19 45.06 2q4n s LEU 100 CO 0.00 -0.25 0.68 0.68 0.02 0.00 0.00 176.35 177.48 2q4n s VAL 101 N 1.41 3.66 -0.17 -1.59 -7.23 -0.11 -2.68 120.40 113.70 2q4n s VAL 101 Ca -0.05 -0.59 -0.15 0.00 -1.81 0.00 0.00 61.98 59.38 2q4n s VAL 101 Cb -0.19 -3.35 0.04 0.00 0.56 0.00 0.00 36.38 33.45 2q4n s VAL 101 CO -0.07 -0.23 0.44 -1.61 -0.31 0.00 0.00 175.10 173.32 2q4n s GLU 102 N -4.57 0.51 -0.19 4.82 2.02 -0.50 -0.32 118.70 120.47 2q4n s GLU 102 Ca 0.50 0.61 -0.05 0.00 0.02 0.00 0.00 54.97 56.05 2q4n s GLU 102 Cb -0.10 0.25 -0.03 0.00 0.10 0.00 0.00 34.13 34.35 2q4n s GLU 102 CO 0.37 -0.06 0.01 0.08 0.02 0.00 0.00 175.26 175.68 2q4n s VAL 103 N 0.24 4.13 -0.10 2.63 1.01 -0.42 -2.08 120.40 125.81 2q4n s VAL 103 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.72 2q4n s VAL 103 Cb -0.03 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 2q4n s VAL 103 CO 0.01 0.44 -0.10 -1.10 0.00 0.00 0.00 175.10 174.34 2q4n s GLN 104 N 0.81 3.12 -0.04 2.72 -1.52 -0.19 -1.15 119.66 123.40 2q4n s GLN 104 Ca 0.01 -0.63 0.03 0.00 -1.95 0.00 0.00 55.36 52.82 2q4n s GLN 104 Cb -0.14 -2.62 0.01 0.00 -0.22 0.00 0.00 33.01 30.04 2q4n s GLN 104 CO 0.02 0.40 -0.11 0.15 -0.25 0.00 0.00 175.29 175.50 2q4n s LYS 105 N -0.12 1.23 0.00 2.91 1.02 -0.68 -1.06 119.74 123.04 2q4n s LYS 105 Ca -0.00 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.62 2q4n s LYS 105 Cb -0.13 -1.10 0.00 0.00 -0.52 0.00 0.00 37.83 36.07 2q4n s LYS 105 CO 0.03 0.11 0.00 0.41 -0.92 0.00 0.00 175.35 174.98 2q4n n GLY 106 N 3.42 2.44 3.09 -3.33 0.00 -0.90 -1.34 105.19 108.56 2q4n n GLY 106 Ca -0.20 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 2q4n n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2q4n s THR 107 N -0.61 0.42 0.18 2.61 -4.23 0.18 -2.74 115.64 111.44 2q4n s THR 107 Ca 0.00 -1.58 0.08 0.00 -1.18 0.00 0.00 61.69 59.01 2q4n s THR 107 Cb 0.00 -1.21 -0.04 0.00 1.34 0.00 0.00 72.50 72.59 2q4n s THR 107 CO 0.00 -0.77 -0.16 -0.72 -0.54 0.00 0.00 174.62 172.43 2q4n s TYR 108 N -2.98 1.70 -0.03 3.99 -0.85 -0.51 0.18 117.35 118.85 2q4n s TYR 108 Ca 0.02 -0.53 -0.01 0.00 -0.52 0.00 0.00 57.07 56.02 2q4n s TYR 108 Cb 0.01 -0.82 0.03 0.00 0.38 0.00 0.00 41.96 41.56 2q4n s TYR 108 CO -0.05 0.32 0.05 1.21 -1.52 0.00 0.00 175.55 175.56 2q4n s ASN 109 N -2.95 0.70 0.15 -0.18 3.84 -0.75 -4.77 114.94 110.98 2q4n s ASN 109 Ca 0.18 0.08 -0.06 0.00 0.21 0.00 0.00 52.86 53.27 2q4n s ASN 109 Cb -0.03 -0.10 -0.01 0.00 -0.55 0.00 0.00 41.25 40.56 2q4n s ASN 109 CO 0.06 -0.20 1.40 0.58 -2.79 0.00 0.00 177.10 176.15 2q4n h VAL 110 N 6.38 1.33 0.00 -5.21 2.07 -1.90 -1.88 116.25 117.04 2q4n h VAL 110 Ca -0.26 -2.02 -0.02 0.00 0.82 0.00 0.00 66.70 65.23 2q4n h VAL 110 Cb 1.12 2.00 -0.00 0.00 -1.52 0.00 0.00 31.29 32.89 2q4n h VAL 110 CO 0.28 0.62 -0.08 0.44 0.02 0.00 0.00 177.57 178.85 2q4n h ASP 111 N 0.41 0.00 -0.01 0.57 3.32 -1.97 -2.07 116.42 116.67 2q4n h ASP 111 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2q4n h ASP 111 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 2q4n h ASP 111 CO 0.13 0.08 -0.48 -0.62 -1.72 0.00 0.00 179.24 176.64 2q4n n GLU 112 N -3.26 1.96 -3.78 3.56 1.02 -1.22 -4.99 120.64 113.92 2q4n n GLU 112 Ca -0.00 -0.44 -0.24 0.00 -0.02 0.00 0.00 57.16 56.46 2q4n n GLU 112 Cb 0.30 -1.22 0.02 0.00 -0.02 0.00 0.00 31.44 30.52 2q4n n GLU 112 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2q4n n GLN 113 N -0.67 -3.56 -4.20 3.49 6.02 -0.71 -4.52 117.38 113.23 2q4n n GLN 113 Ca 0.05 0.52 -0.15 0.00 -0.01 0.00 0.00 57.00 57.40 2q4n n GLN 113 Cb 0.28 -4.76 -0.11 0.00 1.02 0.00 0.00 30.24 26.67 2q4n n GLN 113 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2q4n s SER 114 N -4.18 1.62 -0.01 1.08 1.04 -1.20 -1.27 113.70 110.78 2q4n s SER 114 Ca 0.10 -0.82 0.01 0.00 0.48 0.00 0.00 55.95 55.72 2q4n s SER 114 Cb -0.03 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.08 2q4n s SER 114 CO 0.85 -0.23 -0.04 -0.63 0.98 0.00 0.00 173.24 174.17 2q4n s ILE 115 N -2.38 0.33 -0.13 -1.02 1.01 -0.22 -1.81 121.20 116.97 2q4n s ILE 115 Ca 0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 60.65 60.59 2q4n s ILE 115 Cb -0.03 -0.31 0.03 0.00 0.01 0.00 0.00 42.46 42.15 2q4n s ILE 115 CO 0.01 0.12 -0.09 -0.54 0.00 0.00 0.00 174.94 174.43 2q4n s LYS 116 N 0.19 1.72 0.02 2.79 1.02 0.13 -1.25 119.74 124.35 2q4n s LYS 116 Ca -0.02 -0.35 0.06 0.00 0.02 0.00 0.00 55.97 55.69 2q4n s LYS 116 Cb -0.05 -1.75 -0.02 0.00 -0.52 0.00 0.00 37.83 35.49 2q4n s LYS 116 CO -0.00 -0.27 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.46 2q4n s LEU 117 N 1.65 2.11 0.01 3.17 1.43 -0.79 0.47 118.68 126.73 2q4n s LEU 117 Ca 0.05 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 2q4n s LEU 117 Cb -0.13 -0.91 -0.01 0.00 0.03 0.00 0.00 46.19 45.17 2q4n s LEU 117 CO -0.09 0.17 -0.09 -0.54 0.23 0.00 0.00 176.35 176.03 2q4n s LYS 118 N -0.83 0.68 0.30 1.70 1.02 -0.45 -1.79 119.74 120.37 2q4n s LYS 118 Ca 0.06 -0.45 -0.29 0.00 0.02 0.00 0.00 55.97 55.31 2q4n s LYS 118 Cb -0.08 -0.63 -0.10 0.00 -0.52 0.00 0.00 37.83 36.50 2q4n s LYS 118 CO 0.01 0.16 1.14 -1.54 -0.92 0.00 0.00 175.35 174.20 2q4n s SER 119 N -0.60 7.12 -0.00 2.83 1.04 0.37 -1.69 113.70 122.77 2q4n s SER 119 Ca 0.01 2.34 0.10 0.00 0.48 0.00 0.00 55.95 58.88 2q4n s SER 119 Cb -0.05 -2.63 -0.11 0.00 0.10 0.00 0.00 66.02 63.33 2q4n s SER 119 CO 0.00 -0.26 0.41 -0.67 0.98 0.00 0.00 173.24 173.70 2q4n n ASP 120 N 1.01 0.65 -3.67 7.02 2.03 -0.30 -4.78 116.55 118.50 2q4n n ASP 120 Ca -0.00 -0.68 -0.09 0.00 0.52 0.00 0.00 54.79 54.54 2q4n n ASP 120 Cb 0.44 1.04 -0.09 0.00 -0.72 0.00 0.00 41.12 41.79 2q4n n ASP 120 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2q4n s LEU 121 N -2.57 -0.42 -0.09 -2.67 0.20 -1.15 -4.97 118.68 107.00 2q4n s LEU 121 Ca 0.03 1.14 0.02 0.00 0.69 0.00 0.00 54.13 56.02 2q4n s LEU 121 Cb 0.08 1.78 0.01 0.00 -0.43 0.00 0.00 46.19 47.63 2q4n s LEU 121 CO 0.41 -0.21 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.43 2q4n s VAL 122 N 1.43 1.34 0.09 1.68 1.01 -1.26 -1.30 120.40 123.39 2q4n s VAL 122 Ca -0.09 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.38 2q4n s VAL 122 Cb -0.07 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 2q4n s VAL 122 CO -0.15 0.41 -0.17 -0.83 0.00 0.00 0.00 175.10 174.36 2q4n s GLY 123 N 0.84 1.02 -1.34 4.51 0.00 0.57 -4.69 107.32 108.23 2q4n s GLY 123 Ca -0.10 -1.12 -0.05 0.00 0.00 0.00 0.00 44.72 43.45 2q4n s GLY 123 CO 0.01 -1.14 0.95 -2.01 0.00 0.00 0.00 173.10 170.92 2q4n n ASN 124 N 1.14 -3.35 -4.69 1.64 5.15 -1.26 -0.93 115.26 112.96 2q4n n ASN 124 Ca -0.20 -0.69 -0.35 0.00 -0.60 0.00 0.00 54.58 52.74 2q4n n ASN 124 Cb 0.54 -4.54 -0.09 0.00 -0.53 0.00 0.00 39.78 35.15 2q4n n ASN 124 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2q4n s ALA 125 N -3.43 3.31 0.16 5.20 0.00 -1.26 -4.32 121.76 121.41 2q4n s ALA 125 Ca 0.27 -0.80 -0.12 0.00 0.00 0.00 0.00 51.96 51.32 2q4n s ALA 125 Cb -0.13 -1.52 0.03 0.00 0.00 0.00 0.00 23.12 21.50 2q4n s ALA 125 CO 0.77 0.57 1.62 0.66 0.00 0.00 0.00 175.76 179.38 2q4n h SER 126 N 5.24 0.88 0.00 0.00 4.64 -1.97 -3.41 113.55 118.93 2q4n h SER 126 Ca -0.50 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 60.53 2q4n h SER 126 Cb 1.19 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2q4n h SER 126 CO 0.55 0.95 0.00 0.29 -0.87 0.00 0.00 176.83 177.76 2q4n n LYS 127 N -4.32 0.00 -2.58 4.77 5.02 -1.26 -5.09 118.16 114.70 2q4n n LYS 127 Ca 0.01 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 2q4n n LYS 127 Cb 0.30 -0.25 -0.05 0.00 -0.02 0.00 0.00 35.03 35.02 2q4n n LYS 127 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2q4n s VAL 128 N 0.00 3.88 -0.17 -0.18 1.01 -1.26 -4.20 120.40 119.49 2q4n s VAL 128 Ca 0.00 1.74 -0.07 0.00 0.00 0.00 0.00 61.98 63.64 2q4n s VAL 128 Cb 0.00 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 2q4n s VAL 128 CO 0.00 0.35 -0.21 0.29 0.00 0.00 0.00 175.10 175.53 2q4n n LYS 129 N 1.93 0.37 -3.94 2.72 4.76 -0.38 -4.79 118.16 118.83 2q4n n LYS 129 Ca 0.01 0.15 -0.12 0.00 -2.87 0.00 0.00 58.31 55.48 2q4n n LYS 129 Cb 0.46 -1.14 -0.13 0.00 -1.84 0.00 0.00 35.03 32.39 2q4n n LYS 129 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2q4n s GLU 130 N -2.31 0.15 -0.02 1.97 8.01 -1.25 -4.48 118.70 120.76 2q4n s GLU 130 Ca -0.24 -0.23 0.06 0.00 0.01 0.00 0.00 54.97 54.58 2q4n s GLU 130 Cb 0.09 -0.02 -0.01 0.00 -4.31 0.00 0.00 34.13 29.88 2q4n s GLU 130 CO 0.31 -0.00 -0.19 0.42 0.01 0.00 0.00 175.26 175.81 2q4n s ILE 131 N -0.49 1.50 0.04 -1.63 -1.09 -1.26 -1.40 121.20 116.86 2q4n s ILE 131 Ca -0.05 -0.80 0.05 0.00 -2.23 0.00 0.00 60.65 57.63 2q4n s ILE 131 Cb -0.03 -1.25 -0.03 0.00 -1.58 0.00 0.00 42.46 39.56 2q4n s ILE 131 CO -0.00 0.42 -0.12 -0.94 -1.23 0.00 0.00 174.94 173.07 2q4n s SER 132 N -0.36 4.25 -0.06 3.58 1.04 0.11 -0.48 113.70 121.78 2q4n s SER 132 Ca 0.05 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.18 2q4n s SER 132 Cb -0.08 -0.85 0.02 0.00 0.10 0.00 0.00 66.02 65.22 2q4n s SER 132 CO -0.00 0.25 -0.03 -0.13 0.98 0.00 0.00 173.24 174.31 2q4n s ARG 133 N -1.56 0.81 -0.01 4.02 0.52 -0.74 -0.90 118.95 121.10 2q4n s ARG 133 Ca 0.17 -0.04 0.05 0.00 -0.52 0.00 0.00 55.73 55.39 2q4n s ARG 133 Cb -0.11 -0.96 -0.01 0.00 0.52 0.00 0.00 34.95 34.39 2q4n s ARG 133 CO 0.08 -0.18 -0.17 -1.21 0.02 0.00 0.00 175.30 173.84 2q4n s GLU 134 N 1.39 1.32 0.10 3.54 2.02 -0.45 -1.88 118.70 124.73 2q4n s GLU 134 Ca -0.04 -0.62 0.10 0.00 0.02 0.00 0.00 54.97 54.43 2q4n s GLU 134 Cb -0.13 -1.29 -0.04 0.00 0.10 0.00 0.00 34.13 32.77 2q4n s GLU 134 CO -0.03 0.35 -0.25 -0.06 0.02 0.00 0.00 175.26 175.30 2q4n s PHE 135 N -0.44 2.12 -0.15 1.61 0.40 -0.38 -0.91 117.98 120.23 2q4n s PHE 135 Ca 0.06 -0.39 -0.09 0.00 -0.60 0.00 0.00 56.93 55.90 2q4n s PHE 135 Cb -0.07 -1.18 0.05 0.00 0.51 0.00 0.00 43.02 42.34 2q4n s PHE 135 CO -0.00 0.25 0.37 -2.00 0.70 0.00 0.00 175.22 174.54 2q4n s GLU 136 N -1.83 0.37 -0.27 0.44 2.12 -0.18 -1.06 118.70 118.29 2q4n s GLU 136 Ca 0.11 0.68 -0.27 0.00 0.36 0.00 0.00 54.97 55.84 2q4n s GLU 136 Cb -0.10 0.02 0.01 0.00 0.26 0.00 0.00 34.13 34.31 2q4n s GLU 136 CO 0.05 -0.13 0.97 -1.17 -0.54 0.00 0.00 175.26 174.43 2q4n s LEU 137 N 1.08 4.05 -0.25 2.70 2.96 -0.40 -1.58 118.68 127.25 2q4n s LEU 137 Ca -0.07 1.12 0.02 0.00 -0.22 0.00 0.00 54.13 54.97 2q4n s LEU 137 Cb -0.07 -3.40 0.05 0.00 0.50 0.00 0.00 46.19 43.27 2q4n s LEU 137 CO -0.09 -0.68 -0.11 0.68 -1.32 0.00 0.00 176.35 174.83 2q4n s VAL 138 N 3.21 2.28 -1.64 1.68 -7.23 0.89 -4.61 120.40 114.98 2q4n s VAL 138 Ca 0.41 -1.43 -0.17 0.00 -1.81 0.00 0.00 61.98 58.98 2q4n s VAL 138 Cb -0.14 -2.25 0.14 0.00 0.56 0.00 0.00 36.38 34.68 2q4n s VAL 138 CO 0.10 0.09 0.84 -0.67 -0.31 0.00 0.00 175.10 175.14 2q4n n ASP 139 N 4.50 -3.78 0.00 4.85 2.03 -1.26 -0.34 116.55 122.54 2q4n n ASP 139 Ca -0.15 -0.92 0.00 0.00 0.52 0.00 0.00 54.79 54.24 2q4n n ASP 139 Cb 0.44 -3.07 0.00 0.00 -0.72 0.00 0.00 41.12 37.77 2q4n n ASP 139 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2q4n n GLY 140 N -1.46 0.87 3.81 0.27 0.00 -1.26 -5.03 105.19 102.39 2q4n n GLY 140 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 2q4n n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q4n s LYS 141 N -0.17 3.21 -0.33 1.61 1.02 0.53 -4.56 119.74 121.05 2q4n s LYS 141 Ca 0.00 -0.35 -0.23 0.00 0.02 0.00 0.00 55.97 55.42 2q4n s LYS 141 Cb 0.00 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 2q4n s LYS 141 CO 0.00 0.70 0.76 -1.17 -0.92 0.00 0.00 175.35 174.72 2q4n s LEU 142 N -1.42 4.12 -0.16 3.17 2.96 0.38 -0.08 118.68 127.65 2q4n s LEU 142 Ca 0.20 0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 54.57 2q4n s LEU 142 Cb -0.12 -3.02 -0.02 0.00 0.50 0.00 0.00 46.19 43.53 2q4n s LEU 142 CO 0.10 -0.65 -0.05 -0.55 -1.32 0.00 0.00 176.35 173.88 2q4n s SER 143 N 1.72 4.56 0.43 3.68 0.15 -0.61 -0.39 113.70 123.24 2q4n s SER 143 Ca 0.31 -0.22 0.04 0.00 0.70 0.00 0.00 55.95 56.78 2q4n s SER 143 Cb -0.14 -1.74 -0.04 0.00 -1.71 0.00 0.00 66.02 62.39 2q4n s SER 143 CO 0.14 0.13 0.04 -0.72 1.20 0.00 0.00 173.24 174.03 2q4n s TYR 144 N 0.58 2.05 -0.16 3.44 -0.85 -0.40 -1.01 117.35 121.00 2q4n s TYR 144 Ca -0.04 -0.94 -0.09 0.00 -0.52 0.00 0.00 57.07 55.48 2q4n s TYR 144 Cb -0.15 -1.51 0.06 0.00 0.38 0.00 0.00 41.96 40.74 2q4n s TYR 144 CO 0.03 0.15 0.40 0.08 -1.52 0.00 0.00 175.55 174.68 2q4n s VAL 145 N -2.97 -0.03 -0.13 -3.49 1.01 -0.09 -3.07 120.40 111.64 2q4n s VAL 145 Ca 0.23 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.31 2q4n s VAL 145 Cb 0.05 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 2q4n s VAL 145 CO 0.12 0.04 -0.17 -0.69 0.00 0.00 0.00 175.10 174.40 2q4n s VAL 146 N 1.32 2.68 0.54 2.92 1.01 0.24 -1.34 120.40 127.76 2q4n s VAL 146 Ca -0.09 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.16 2q4n s VAL 146 Cb -0.08 -2.10 0.05 0.00 0.00 0.00 0.00 36.38 34.25 2q4n s VAL 146 CO -0.12 0.53 0.45 0.54 0.00 0.00 0.00 175.10 176.51 2q4n n ARG 147 N 3.69 0.69 -3.56 2.72 1.74 -0.08 0.67 116.66 122.53 2q4n n ARG 147 Ca -0.19 -3.31 -0.06 0.00 -0.77 0.00 0.00 57.85 53.52 2q4n n ARG 147 Cb 0.52 0.28 -0.02 0.00 -1.02 0.00 0.00 32.46 32.22 2q4n n ARG 147 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2q4n s SER 149 N -4.20 -0.23 0.38 0.55 1.04 -0.50 -0.71 113.70 110.03 2q4n s SER 149 Ca 0.34 0.03 0.06 0.00 0.48 0.00 0.00 55.95 56.87 2q4n s SER 149 Cb -0.03 0.24 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 2q4n s SER 149 CO 0.22 -0.37 0.24 0.42 0.98 0.00 0.00 173.24 174.72 2q4n s THR 150 N -2.54 0.19 0.36 2.02 -4.23 0.09 -1.24 115.64 110.29 2q4n s THR 150 Ca 0.07 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.72 2q4n s THR 150 Cb -0.01 -2.41 0.35 0.00 1.34 0.00 0.00 72.50 71.78 2q4n s THR 150 CO -0.06 0.00 1.73 0.74 -0.54 0.00 0.00 174.62 176.50 2q4n h THR 151 N 1.95 0.49 0.00 3.99 2.02 -1.96 -3.19 112.91 116.22 2q4n h THR 151 Ca -0.28 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2q4n h THR 151 Cb 1.25 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2q4n h THR 151 CO 0.42 0.09 -1.22 0.35 0.37 0.00 0.00 175.52 175.52 2q4n n THR 152 N -4.79 0.00 -3.70 3.16 -2.24 -1.26 -4.95 114.28 100.50 2q4n n THR 152 Ca 0.27 -0.25 -0.37 0.00 -2.27 0.00 0.00 64.05 61.44 2q4n n THR 152 Cb 0.85 0.45 -0.12 0.00 -2.10 0.00 0.00 70.33 69.41 2q4n n THR 152 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2q4n s ASN 153 N -2.90 5.41 0.78 3.42 -0.87 -1.20 -5.08 114.94 114.50 2q4n s ASN 153 Ca -0.02 -0.15 -0.11 0.00 -1.57 0.00 0.00 52.86 51.02 2q4n s ASN 153 Cb 0.07 -1.98 0.06 0.00 -0.02 0.00 0.00 41.25 39.38 2q4n s ASN 153 CO 0.44 -0.04 1.09 -2.84 -2.57 0.00 0.00 177.10 173.18 2q4n s PRO 154 N 1.66 2.18 -0.17 -0.60 0.02 -1.26 -0.73 135.00 136.10 2q4n s PRO 154 Ca 0.07 1.12 -0.32 0.00 0.02 0.00 0.00 61.00 61.89 2q4n s PRO 154 Cb -0.15 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.38 2q4n s PRO 154 CO 0.06 -1.69 2.06 -0.11 -0.33 0.00 0.00 177.00 176.99 2q4n n LEU 155 N -3.55 3.21 -3.86 -5.54 7.94 -1.26 -4.57 117.00 109.38 2q4n n LEU 155 Ca 0.09 0.63 -0.09 0.00 -1.11 0.00 0.00 56.01 55.52 2q4n n LEU 155 Cb 0.53 -1.42 -0.07 0.00 0.53 0.00 0.00 43.42 43.00 2q4n n LEU 155 CO 0.54 -0.34 -0.02 0.00 -1.11 0.00 0.00 177.39 176.45 2q4n s GLN 156 N 5.24 0.99 0.23 1.96 -2.07 -1.26 -4.97 119.66 119.78 2q4n s GLN 156 Ca 0.98 -0.99 -0.31 0.00 -1.82 0.00 0.00 55.36 53.22 2q4n s GLN 156 Cb -0.59 0.38 -0.14 0.00 -1.09 0.00 0.00 33.01 31.56 2q4n s GLN 156 CO 0.45 -0.35 1.19 -2.30 -1.32 0.00 0.00 175.29 172.97 2q4n n PRO 157 N -0.14 1.50 0.05 9.60 -0.02 -1.26 -4.37 135.00 140.36 2q4n n PRO 157 Ca -0.13 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2q4n n PRO 157 Cb 0.63 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2q4n n PRO 157 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2q4n n HIS 158 N 1.18 -0.49 -4.37 6.00 -0.00 0.21 -4.78 115.22 112.98 2q4n n HIS 158 Ca 0.12 0.09 -0.29 0.00 0.46 0.00 0.00 57.72 58.10 2q4n n HIS 158 Cb 0.29 0.14 -0.12 0.00 -0.12 0.00 0.00 29.99 30.18 2q4n n HIS 158 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2q4n s LEU 159 N -6.66 2.47 -0.07 0.27 1.43 -0.60 -0.96 118.68 114.57 2q4n s LEU 159 Ca 0.00 -0.72 -0.21 0.00 -1.03 0.00 0.00 54.13 52.17 2q4n s LEU 159 Cb 0.00 -1.31 0.05 0.00 0.03 0.00 0.00 46.19 44.95 2q4n s LEU 159 CO 0.00 0.16 0.49 -1.59 0.23 0.00 0.00 176.35 175.65 2q4n s LYS 160 N -2.24 0.79 -0.26 1.70 -2.85 -0.81 -0.59 119.74 115.48 2q4n s LYS 160 Ca 0.17 0.18 -0.26 0.00 -1.00 0.00 0.00 55.97 55.06 2q4n s LYS 160 Cb -0.10 0.37 0.10 0.00 -2.06 0.00 0.00 37.83 36.15 2q4n s LYS 160 CO 0.08 -0.21 0.92 0.00 0.10 0.00 0.00 175.35 176.24 2q4n s ALA 161 N -0.91 -1.90 0.05 0.59 0.00 -1.17 -1.66 121.76 116.76 2q4n s ALA 161 Ca -0.10 1.89 0.07 0.00 0.00 0.00 0.00 51.96 53.82 2q4n s ALA 161 Cb -0.03 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 2q4n s ALA 161 CO 0.06 -0.28 -0.17 0.42 0.00 0.00 0.00 175.76 175.79 2q4n s ILE 162 N 0.14 2.89 0.02 0.00 1.01 -1.16 -1.27 121.20 122.83 2q4n s ILE 162 Ca 0.01 -1.19 0.02 0.00 0.00 0.00 0.00 60.65 59.50 2q4n s ILE 162 Cb -0.05 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 40.18 2q4n s ILE 162 CO -0.03 0.31 -0.07 -0.76 0.00 0.00 0.00 174.94 174.40 2q4n s LEU 163 N -1.53 2.15 0.34 2.97 1.02 0.48 -3.29 118.68 120.82 2q4n s LEU 163 Ca 0.15 -0.35 -0.05 0.00 0.02 0.00 0.00 54.13 53.90 2q4n s LEU 163 Cb -0.11 -0.20 -0.05 0.00 0.02 0.00 0.00 46.19 45.86 2q4n s LEU 163 CO 0.06 -0.09 0.62 -1.81 0.02 0.00 0.00 176.35 175.15 2q4n s ASP 164 N -0.95 6.41 -0.15 2.29 1.01 0.12 -0.47 116.67 124.94 2q4n s ASP 164 Ca -0.05 0.78 -0.16 0.00 0.71 0.00 0.00 52.55 53.82 2q4n s ASP 164 Cb -0.07 -2.17 -0.04 0.00 1.01 0.00 0.00 42.92 41.65 2q4n s ASP 164 CO 0.00 -0.30 0.40 -0.75 0.21 0.00 0.00 175.17 174.73 2q4n s LYS 165 N -3.88 4.29 0.00 8.23 2.20 -1.26 -0.44 119.74 128.88 2q4n s LYS 165 Ca 0.45 0.29 0.32 0.00 -0.36 0.00 0.00 55.97 56.67 2q4n s LYS 165 Cb -0.10 -3.45 1.84 0.00 -1.51 0.00 0.00 37.83 34.61 2q4n s LYS 165 CO 0.33 0.16 2.19 1.28 -0.36 0.00 0.00 175.35 178.95