#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q4n n PRO 15 N 0.00 1.22 -2.16 0.52 -0.04 -1.26 -4.74 135.00 128.53 2q4n n PRO 15 Ca 0.00 0.45 -0.40 0.00 -0.04 0.00 0.00 63.50 63.52 2q4n n PRO 15 Cb 0.00 -2.26 -0.02 0.00 -0.04 0.00 0.00 33.50 31.18 2q4n n PRO 15 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2q4n s VAL 16 N -1.40 2.83 0.59 0.52 1.01 -1.26 -4.05 120.40 118.64 2q4n s VAL 16 Ca 0.72 0.79 -0.17 0.00 0.00 0.00 0.00 61.98 63.32 2q4n s VAL 16 Cb -0.44 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2q4n s VAL 16 CO 0.50 0.15 1.08 -2.28 0.00 0.00 0.00 175.10 174.54 2q4n s HIS 17 N -1.22 2.86 0.52 5.22 2.46 -1.26 -4.88 115.29 118.99 2q4n s HIS 17 Ca 0.52 1.53 0.21 0.00 0.47 0.00 0.00 55.06 57.79 2q4n s HIS 17 Cb -0.37 -3.09 1.41 0.00 -0.13 0.00 0.00 32.58 30.40 2q4n s HIS 17 CO 0.48 -1.27 2.15 -1.00 -2.47 0.00 0.00 174.74 172.63 2q4n h PRO 18 N 0.59 0.00 -0.03 2.88 0.13 -1.92 -1.35 132.00 132.31 2q4n h PRO 18 Ca -0.48 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.43 2q4n h PRO 18 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2q4n h PRO 18 CO 0.57 0.04 -0.90 0.74 -0.23 0.00 0.00 178.00 178.21 2q4n h PHE 19 N 0.00 0.67 0.00 1.56 0.04 -1.93 -3.11 116.94 114.18 2q4n h PHE 19 Ca -0.00 -0.35 -0.07 0.00 2.80 0.00 0.00 57.97 60.35 2q4n h PHE 19 Cb 0.07 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 2q4n h PHE 19 CO 0.00 1.16 -0.33 0.28 -0.60 0.00 0.00 178.31 178.82 2q4n h VAL 20 N 0.28 0.76 -0.76 -0.55 2.07 -1.75 -3.38 116.25 112.92 2q4n h VAL 20 Ca -0.07 -1.42 0.15 0.00 0.82 0.00 0.00 66.70 66.17 2q4n h VAL 20 Cb 1.53 1.90 -0.05 0.00 -1.52 0.00 0.00 31.29 33.15 2q4n h VAL 20 CO 0.16 0.32 0.51 0.00 0.02 0.00 0.00 177.57 178.58 2q4n h ALA 21 N 1.67 2.12 0.00 1.67 0.00 -1.17 -1.21 119.26 122.34 2q4n h ALA 21 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2q4n h ALA 21 Cb 0.88 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2q4n h ALA 21 CO 0.04 -0.33 -0.02 -1.35 0.00 0.00 0.00 179.25 177.59 2q4n h PRO 22 N 0.41 0.00 -0.64 0.00 0.11 -1.79 -2.70 132.00 127.39 2q4n h PRO 22 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 2q4n h PRO 22 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2q4n h PRO 22 CO -0.12 0.02 0.00 1.28 -0.21 0.00 0.00 178.00 178.97 2q4n n LEU 23 N -3.14 4.93 0.28 2.35 4.77 -0.46 -4.58 117.00 121.15 2q4n n LEU 23 Ca -0.01 -2.50 0.16 0.00 -0.03 0.00 0.00 56.01 53.63 2q4n n LEU 23 Cb 0.24 -0.64 0.84 0.00 -2.33 0.00 0.00 43.42 41.53 2q4n n LEU 23 CO 0.26 0.60 1.04 0.77 -1.33 0.00 0.00 177.39 178.72 2q4n h SER 24 N 3.45 0.00 0.05 -1.43 4.64 -1.52 0.31 113.55 119.06 2q4n h SER 24 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2q4n h SER 24 Cb 1.69 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.78 2q4n h SER 24 CO 0.39 0.07 -0.04 0.10 -0.87 0.00 0.00 176.83 176.48 2q4n h TYR 25 N 0.00 0.00 0.00 4.77 -0.00 -1.86 -1.55 116.97 118.33 2q4n h TYR 25 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.68 2q4n h TYR 25 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.99 2q4n h TYR 25 CO 0.00 0.04 -0.25 -0.07 -0.00 0.00 0.00 178.16 177.87 2q4n h LEU 26 N 0.00 0.00 -9.52 0.10 3.38 -1.30 -3.45 115.31 104.51 2q4n h LEU 26 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2q4n h LEU 26 Cb 0.07 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.86 2q4n h LEU 26 CO 0.00 0.25 1.09 -0.76 0.09 0.00 0.00 178.44 179.12 2q4n s LEU 27 N -7.60 4.39 0.00 1.67 1.43 -0.59 -4.52 118.68 113.46 2q4n s LEU 27 Ca -0.02 2.74 0.00 0.00 -1.03 0.00 0.00 54.13 55.82 2q4n s LEU 27 Cb 0.13 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.78 2q4n s LEU 27 CO 0.66 -0.99 0.00 0.61 0.23 0.00 0.00 176.35 176.86 2q4n n GLY 28 N 4.18 0.80 3.57 -3.19 0.00 -0.62 -4.98 105.19 104.96 2q4n n GLY 28 Ca 0.17 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.15 3.54 -0.03 2.61 2.01 -1.26 -2.34 115.64 119.01 2q4n s THR 29 Ca 0.00 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.24 2q4n s THR 29 Cb 0.00 -2.52 0.00 0.00 0.01 0.00 0.00 72.50 69.99 2q4n s THR 29 CO 0.00 0.42 -0.10 0.26 -0.69 0.00 0.00 174.62 174.50 2q4n s TRP 30 N -0.96 1.05 -0.05 4.92 0.52 0.67 -0.29 118.94 124.79 2q4n s TRP 30 Ca 0.16 -0.27 0.02 0.00 0.02 0.00 0.00 56.10 56.04 2q4n s TRP 30 Cb -0.11 -0.74 0.01 0.00 -1.15 0.00 0.00 33.47 31.49 2q4n s TRP 30 CO 0.06 -0.10 -0.10 0.50 0.02 0.00 0.00 176.95 177.33 2q4n s ARG 31 N 0.16 1.41 0.00 4.98 3.52 -0.66 -0.83 118.95 127.53 2q4n s ARG 31 Ca -0.03 -0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.23 2q4n s ARG 31 Cb -0.09 -1.21 0.00 0.00 -1.56 0.00 0.00 34.95 32.09 2q4n s ARG 31 CO 0.01 0.03 0.00 0.41 -0.81 0.00 0.00 175.30 174.94 2q4n n GLY 32 N 3.74 3.02 3.03 8.12 0.00 0.57 -0.52 105.19 123.15 2q4n n GLY 32 Ca -0.23 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 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 1.81 0.44 0.29 1.61 -2.07 0.77 -1.66 119.66 120.85 2q4n s GLN 33 Ca 0.00 -0.70 0.04 0.00 -1.82 0.00 0.00 55.36 52.87 2q4n s GLN 33 Cb 0.00 -0.11 -0.01 0.00 -1.09 0.00 0.00 33.01 31.79 2q4n s GLN 33 CO 0.00 0.01 0.13 0.41 -1.32 0.00 0.00 175.29 174.51 2q4n n GLY 34 N 1.49 3.41 3.30 2.60 0.00 0.39 -1.25 105.19 115.14 2q4n n GLY 34 Ca -0.23 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.64 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 -3.11 0.47 0.04 1.61 2.02 -0.60 -1.44 118.70 117.68 2q4n s GLU 35 Ca 0.18 0.56 0.08 0.00 0.02 0.00 0.00 54.97 55.81 2q4n s GLU 35 Cb 0.01 0.23 -0.03 0.00 0.10 0.00 0.00 34.13 34.44 2q4n s GLU 35 CO 0.13 -0.06 -0.22 0.20 0.02 0.00 0.00 175.26 175.33 2q4n s GLY 36 N 0.22 1.48 -0.07 -1.39 0.00 -0.03 -2.01 107.32 105.52 2q4n s GLY 36 Ca -0.00 -1.22 -0.30 0.00 0.00 0.00 0.00 44.72 43.20 2q4n s GLY 36 CO 0.00 -1.11 0.92 -1.83 0.00 0.00 0.00 173.10 171.09 2q4n s GLU 37 N -1.31 0.74 -0.07 2.90 -1.05 -0.27 -0.56 118.70 119.09 2q4n s GLU 37 Ca 0.13 -0.08 -0.30 0.00 -0.15 0.00 0.00 54.97 54.57 2q4n s GLU 37 Cb -0.10 0.34 0.11 0.00 -0.44 0.00 0.00 34.13 34.04 2q4n s GLU 37 CO 0.03 -0.28 0.93 -0.47 0.95 0.00 0.00 175.26 176.42 2q4n s TYR 38 N -2.18 -0.36 0.53 4.83 5.04 -1.26 -4.25 117.35 119.71 2q4n s TYR 38 Ca 0.01 0.40 0.29 0.00 -2.44 0.00 0.00 57.07 55.33 2q4n s TYR 38 Cb -0.01 0.50 1.44 0.00 0.35 0.00 0.00 41.96 44.24 2q4n s TYR 38 CO -0.03 -0.46 1.92 -1.35 -1.34 0.00 0.00 175.55 174.28 2q4n h PRO 39 N 2.25 0.02 -0.02 4.97 0.11 -2.01 -0.94 132.00 136.36 2q4n h PRO 39 Ca -0.21 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2q4n h PRO 39 Cb 1.21 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2q4n h PRO 39 CO 0.31 0.01 0.00 0.25 -0.21 0.00 0.00 178.00 178.36 2q4n n THR 40 N -4.31 0.01 -4.27 -1.15 -2.24 -1.26 -4.94 114.28 96.12 2q4n n THR 40 Ca 0.16 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.56 2q4n n THR 40 Cb 0.84 0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 69.38 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 -1.99 0.61 0.26 2.28 -4.36 -0.36 -5.16 121.20 112.48 2q4n s ILE 41 Ca 0.38 -1.99 -0.10 0.00 -0.26 0.00 0.00 60.65 58.68 2q4n s ILE 41 Cb 0.21 -2.36 -0.07 0.00 1.25 0.00 0.00 42.46 41.49 2q4n s ILE 41 CO 0.33 -0.25 0.59 -2.16 0.24 0.00 0.00 174.94 173.69 2q4n s PRO 42 N -3.97 3.82 0.61 0.37 0.04 -1.26 -4.14 135.00 130.47 2q4n s PRO 42 Ca 0.30 0.32 -0.19 0.00 0.04 0.00 0.00 61.00 61.48 2q4n s PRO 42 Cb 0.07 -2.60 -0.03 0.00 0.04 0.00 0.00 34.50 31.97 2q4n s PRO 42 CO 0.08 0.27 1.15 -1.13 0.04 0.00 0.00 177.00 177.42 2q4n n SER 43 N -0.28 1.57 -3.77 6.66 3.41 -1.26 -4.72 113.62 115.23 2q4n n SER 43 Ca 0.01 0.84 -0.10 0.00 -0.26 0.00 0.00 58.87 59.36 2q4n n SER 43 Cb 0.53 -1.48 -0.07 0.00 -0.26 0.00 0.00 64.21 62.93 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 -1.43 -0.01 0.39 7.33 -0.71 0.28 -4.98 117.98 118.85 2q4n s PHE 44 Ca 0.78 -0.31 0.08 0.00 -1.04 0.00 0.00 56.93 56.44 2q4n s PHE 44 Cb -0.40 0.07 -0.06 0.00 -1.21 0.00 0.00 43.02 41.42 2q4n s PHE 44 CO 0.44 -0.57 0.10 1.03 -1.34 0.00 0.00 175.22 174.88 2q4n s ARG 45 N -3.47 2.14 -0.04 1.99 0.52 -1.26 -0.85 118.95 117.98 2q4n s ARG 45 Ca 0.02 -1.84 -0.29 0.00 -0.52 0.00 0.00 55.73 53.09 2q4n s ARG 45 Cb 0.02 -1.92 0.09 0.00 0.52 0.00 0.00 34.95 33.67 2q4n s ARG 45 CO -0.09 -0.02 0.78 1.52 0.02 0.00 0.00 175.30 177.51 2q4n s TYR 46 N -2.58 -0.51 0.20 -0.53 1.13 -0.52 -4.73 117.35 109.80 2q4n s TYR 46 Ca 0.38 0.71 -0.11 0.00 -1.41 0.00 0.00 57.07 56.64 2q4n s TYR 46 Cb 0.03 0.47 -0.07 0.00 -1.10 0.00 0.00 41.96 41.29 2q4n s TYR 46 CO 0.21 -0.57 0.53 0.20 -2.51 0.00 0.00 175.55 173.41 2q4n s GLY 47 N -1.66 2.33 0.01 5.49 0.00 0.59 -0.46 107.32 113.63 2q4n s GLY 47 Ca -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 44.72 44.42 2q4n s GLY 47 CO 0.01 -0.08 -0.01 1.85 0.00 0.00 0.00 173.10 174.87 2q4n s GLU 48 N -2.54 0.25 -0.01 2.90 2.12 -0.66 0.74 118.70 121.50 2q4n s GLU 48 Ca 0.44 -0.45 -0.01 0.00 0.36 0.00 0.00 54.97 55.31 2q4n s GLU 48 Cb -0.12 0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.36 2q4n s GLU 48 CO 0.21 -0.04 0.02 -2.00 -0.54 0.00 0.00 175.26 172.90 2q4n s GLU 49 N -1.10 0.04 -0.05 4.30 2.12 -0.40 -0.32 118.70 123.28 2q4n s GLU 49 Ca -0.12 0.01 -0.01 0.00 0.36 0.00 0.00 54.97 55.21 2q4n s GLU 49 Cb -0.07 0.02 0.03 0.00 0.26 0.00 0.00 34.13 34.36 2q4n s GLU 49 CO -0.01 -0.00 0.00 0.42 -0.54 0.00 0.00 175.26 175.13 2q4n s ILE 50 N -0.04 0.26 0.01 -3.70 1.01 -0.01 -0.91 121.20 117.82 2q4n s ILE 50 Ca -0.01 0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.81 2q4n s ILE 50 Cb -0.00 -0.39 -0.03 0.00 0.01 0.00 0.00 42.46 42.04 2q4n s ILE 50 CO 0.00 0.21 -0.07 -0.60 0.00 0.00 0.00 174.94 174.48 2q4n s ARG 51 N 1.57 2.51 -0.10 2.79 3.52 -0.21 -0.24 118.95 128.80 2q4n s ARG 51 Ca -0.02 -0.76 0.02 0.00 -0.13 0.00 0.00 55.73 54.84 2q4n s ARG 51 Cb -0.13 -2.48 0.02 0.00 -1.56 0.00 0.00 34.95 30.80 2q4n s ARG 51 CO -0.03 0.59 -0.13 -0.06 -0.81 0.00 0.00 175.30 174.86 2q4n s PHE 52 N -1.02 1.76 0.27 5.12 0.08 -0.99 -1.44 117.98 121.76 2q4n s PHE 52 Ca 0.18 -0.79 0.03 0.00 0.12 0.00 0.00 56.93 56.46 2q4n s PHE 52 Cb -0.11 -1.30 -0.03 0.00 -0.57 0.00 0.00 43.02 41.01 2q4n s PHE 52 CO 0.08 -0.43 0.24 -1.54 -0.10 0.00 0.00 175.22 173.47 2q4n s SER 53 N 1.01 0.93 0.22 1.36 1.04 0.15 -1.58 113.70 116.83 2q4n s SER 53 Ca -0.07 -1.56 -0.17 0.00 0.48 0.00 0.00 55.95 54.63 2q4n s SER 53 Cb -0.15 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.48 2q4n s SER 53 CO -0.01 -0.99 0.54 -1.38 0.98 0.00 0.00 173.24 172.38 2q4n s HIS 54 N -3.73 0.00 -0.21 5.02 -3.43 -1.26 -0.50 115.29 111.17 2q4n s HIS 54 Ca 0.39 -0.37 0.14 0.00 -0.80 0.00 0.00 55.06 54.42 2q4n s HIS 54 Cb 0.04 0.38 0.45 0.00 -1.43 0.00 0.00 32.58 32.02 2q4n s HIS 54 CO 0.20 -0.98 1.18 -1.13 -2.00 0.00 0.00 174.74 172.01 2q4n n SER 55 N -0.37 2.68 -0.96 7.38 3.41 -1.26 -4.94 113.62 119.56 2q4n n SER 55 Ca -0.07 -3.17 -0.13 0.00 -0.26 0.00 0.00 58.87 55.24 2q4n n SER 55 Cb 0.62 -0.42 -0.05 0.00 -0.26 0.00 0.00 64.21 64.10 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 -0.61 1.32 3.98 5.00 0.00 -1.26 -5.01 105.19 108.61 2q4n n GLY 56 Ca 0.23 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.99 2.50 -0.09 1.61 -0.14 -1.26 -4.19 119.74 115.19 2q4n s LYS 57 Ca 0.00 -1.56 -0.00 0.00 -1.36 0.00 0.00 55.97 53.05 2q4n s LYS 57 Cb 0.00 -2.55 0.07 0.00 -1.68 0.00 0.00 37.83 33.66 2q4n s LYS 57 CO 0.00 -0.53 1.89 -0.35 -0.76 0.00 0.00 175.35 175.61 2q4n n PRO 58 N -1.93 1.23 -4.41 -1.68 -0.04 -1.26 -4.36 135.00 122.54 2q4n n PRO 58 Ca 0.09 -0.45 -0.20 0.00 -0.04 0.00 0.00 63.50 62.90 2q4n n PRO 58 Cb 0.61 -1.18 -0.14 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.64 0.94 -0.17 0.52 1.01 -1.26 -4.13 120.40 116.67 2q4n s VAL 59 Ca 0.09 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.37 2q4n s VAL 59 Cb 0.07 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.63 2q4n s VAL 59 CO 0.00 0.13 -0.17 -0.63 0.00 0.00 0.00 175.10 174.43 2q4n s ILE 60 N -0.54 2.45 0.13 2.22 1.01 0.16 -4.51 121.20 122.12 2q4n s ILE 60 Ca 0.03 -0.83 -0.30 0.00 0.00 0.00 0.00 60.65 59.55 2q4n s ILE 60 Cb -0.06 -2.03 -0.06 0.00 0.01 0.00 0.00 42.46 40.31 2q4n s ILE 60 CO 0.00 0.52 0.94 0.00 0.00 0.00 0.00 174.94 176.40 2q4n s ALA 61 N 1.02 3.27 -0.06 9.38 0.00 0.34 0.11 121.76 135.82 2q4n s ALA 61 Ca -0.02 0.56 0.04 0.00 0.00 0.00 0.00 51.96 52.54 2q4n s ALA 61 Cb -0.15 -3.24 -0.00 0.00 0.00 0.00 0.00 23.12 19.73 2q4n s ALA 61 CO -0.04 0.02 -0.18 -0.47 0.00 0.00 0.00 175.76 175.08 2q4n s TYR 62 N -0.20 1.91 0.00 0.00 5.04 -0.13 -0.67 117.35 123.29 2q4n s TYR 62 Ca 0.45 -0.63 -0.03 0.00 -2.44 0.00 0.00 57.07 54.42 2q4n s TYR 62 Cb -0.24 -1.30 -0.01 0.00 0.35 0.00 0.00 41.96 40.77 2q4n s TYR 62 CO 0.30 -0.24 0.05 0.95 -1.34 0.00 0.00 175.55 175.27 2q4n s THR 63 N 0.20 0.07 0.00 4.34 -4.23 -0.52 -0.69 115.64 114.80 2q4n s THR 63 Ca -0.09 -0.56 -0.10 0.00 -1.18 0.00 0.00 61.69 59.76 2q4n s THR 63 Cb -0.14 -0.27 0.01 0.00 1.34 0.00 0.00 72.50 73.44 2q4n s THR 63 CO 0.04 -0.31 0.19 -1.58 -0.54 0.00 0.00 174.62 172.42 2q4n s GLN 64 N -0.97 0.55 0.05 3.99 -0.44 0.10 -1.04 119.66 121.90 2q4n s GLN 64 Ca -0.11 -0.36 -0.09 0.00 -2.50 0.00 0.00 55.36 52.31 2q4n s GLN 64 Cb -0.06 0.24 -0.00 0.00 -1.64 0.00 0.00 33.01 31.54 2q4n s GLN 64 CO 0.00 -0.14 0.18 -1.59 0.50 0.00 0.00 175.29 174.23 2q4n s LYS 65 N -1.46 0.71 0.15 1.67 -2.85 -0.09 -2.72 119.74 115.15 2q4n s LYS 65 Ca -0.14 -0.73 0.08 0.00 -1.00 0.00 0.00 55.97 54.19 2q4n s LYS 65 Cb -0.06 0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 35.95 2q4n s LYS 65 CO 0.02 -0.20 -0.19 0.95 0.10 0.00 0.00 175.35 176.03 2q4n s THR 66 N -2.88 1.79 0.08 3.79 -4.23 0.37 -1.28 115.64 113.27 2q4n s THR 66 Ca -0.03 -1.83 -0.05 0.00 -1.18 0.00 0.00 61.69 58.61 2q4n s THR 66 Cb 0.00 -1.77 -0.02 0.00 1.34 0.00 0.00 72.50 72.05 2q4n s THR 66 CO -0.06 -0.25 0.10 -1.66 -0.54 0.00 0.00 174.62 172.21 2q4n s TRP 67 N -1.83 0.33 0.23 3.99 -2.14 0.23 -4.09 118.94 115.66 2q4n s TRP 67 Ca 0.13 -0.81 -0.30 0.00 2.66 0.00 0.00 56.10 57.79 2q4n s TRP 67 Cb -0.07 -0.21 -0.09 0.00 -3.10 0.00 0.00 33.47 30.01 2q4n s TRP 67 CO 0.06 -0.48 1.21 0.15 -2.66 0.00 0.00 176.95 175.23 2q4n s LYS 68 N -3.89 4.48 0.47 3.25 1.02 0.29 -0.30 119.74 125.06 2q4n s LYS 68 Ca 0.07 1.95 0.23 0.00 0.02 0.00 0.00 55.97 58.24 2q4n s LYS 68 Cb 0.06 -3.19 1.19 0.00 -0.52 0.00 0.00 37.83 35.37 2q4n s LYS 68 CO -0.10 -0.07 1.97 -0.07 -0.92 0.00 0.00 175.35 176.16 2q4n h LEU 69 N 4.69 0.00 -2.98 3.17 3.38 -1.89 -1.01 115.31 120.66 2q4n h LEU 69 Ca -0.46 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.29 2q4n h LEU 69 Cb 1.22 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.83 2q4n h LEU 69 CO 0.72 0.19 0.28 -1.84 0.09 0.00 0.00 178.44 177.88 2q4n n GLU 70 N -3.70 2.12 0.00 1.13 0.00 -1.26 -4.41 120.64 114.52 2q4n n GLU 70 Ca -0.01 -1.76 0.00 0.00 0.00 0.00 0.00 57.16 55.38 2q4n n GLU 70 Cb 0.31 -1.75 0.00 0.00 0.00 0.00 0.00 31.44 30.00 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 -0.24 0.00 0.00 -1.84 3.41 -1.24 -4.91 113.62 108.81 2q4n n SER 71 Ca 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 2q4n n SER 71 Cb 1.08 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.03 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 0.53 3.68 5.00 0.00 -0.39 -4.99 105.19 109.01 2q4n n GLY 72 Ca 0.00 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.00 3.68 1.07 4.61 0.00 -1.16 -4.60 121.76 123.36 2q4n s ALA 73 Ca 0.00 1.35 -0.12 0.00 0.00 0.00 0.00 51.96 53.19 2q4n s ALA 73 Cb 0.00 -3.78 0.23 0.00 0.00 0.00 0.00 23.12 19.57 2q4n s ALA 73 CO 0.00 -1.35 1.07 -2.14 0.00 0.00 0.00 175.76 173.35 2q4n s PRO 74 N 3.43 -0.23 0.89 0.00 0.02 -1.26 0.10 135.00 137.96 2q4n s PRO 74 Ca 0.82 1.14 -0.12 0.00 0.02 0.00 0.00 61.00 62.87 2q4n s PRO 74 Cb -0.43 -1.61 0.13 0.00 0.02 0.00 0.00 34.50 32.60 2q4n s PRO 74 CO 0.37 -3.35 1.11 -1.01 -0.33 0.00 0.00 177.00 173.79 2q4n s HIS 76 N -2.51 2.48 0.15 6.54 3.76 -1.26 -4.84 115.29 119.61 2q4n s HIS 76 Ca 0.68 1.04 -0.03 0.00 -0.15 0.00 0.00 55.06 56.60 2q4n s HIS 76 Cb -0.24 -3.24 -0.03 0.00 1.11 0.00 0.00 32.58 30.17 2q4n s HIS 76 CO 0.62 -2.31 0.14 0.00 -0.85 0.00 0.00 174.74 172.34 2q4n s ALA 77 N -3.11 0.66 0.14 -1.40 0.00 -1.26 -0.48 121.76 116.31 2q4n s ALA 77 Ca 0.63 -1.35 -0.13 0.00 0.00 0.00 0.00 51.96 51.11 2q4n s ALA 77 Cb -0.16 0.96 0.02 0.00 0.00 0.00 0.00 23.12 23.93 2q4n s ALA 77 CO 0.55 -0.56 0.35 -1.83 0.00 0.00 0.00 175.76 174.28 2q4n s GLU 78 N -4.05 1.10 0.18 0.00 -1.05 -1.10 -1.25 118.70 112.54 2q4n s GLU 78 Ca 0.25 -0.90 -0.21 0.00 -0.15 0.00 0.00 54.97 53.95 2q4n s GLU 78 Cb 0.06 0.43 0.05 0.00 -0.44 0.00 0.00 34.13 34.24 2q4n s GLU 78 CO 0.03 -0.42 0.58 -1.54 0.95 0.00 0.00 175.26 174.86 2q4n s SER 79 N -2.87 -0.45 0.00 0.83 1.04 0.44 -0.72 113.70 111.97 2q4n s SER 79 Ca 0.08 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.33 2q4n s SER 79 Cb 0.02 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.74 2q4n s SER 79 CO -0.07 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.74 2q4n n GLY 80 N -0.37 -0.64 3.38 7.32 0.00 0.13 0.17 105.19 115.17 2q4n n GLY 80 Ca -0.14 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 -4.00 -0.59 -0.16 1.61 2.02 -0.51 -0.96 117.35 114.76 2q4n s TYR 81 Ca 0.00 1.37 -0.07 0.00 -0.37 0.00 0.00 57.07 58.00 2q4n s TYR 81 Cb 0.00 0.24 -0.04 0.00 -0.40 0.00 0.00 41.96 41.76 2q4n s TYR 81 CO 0.00 -0.30 0.09 -0.06 -1.57 0.00 0.00 175.55 173.71 2q4n s PHE 82 N 0.62 3.36 -0.43 2.71 0.40 0.29 -2.05 117.98 122.89 2q4n s PHE 82 Ca -0.03 0.26 0.02 0.00 -0.60 0.00 0.00 56.93 56.58 2q4n s PHE 82 Cb -0.05 -2.02 0.14 0.00 0.51 0.00 0.00 43.02 41.60 2q4n s PHE 82 CO -0.04 0.38 0.24 1.03 0.70 0.00 0.00 175.22 177.53 2q4n s ARG 83 N -0.17 1.18 0.42 0.44 0.52 0.20 0.36 118.95 121.90 2q4n s ARG 83 Ca 0.09 -1.92 -0.13 0.00 -0.52 0.00 0.00 55.73 53.25 2q4n s ARG 83 Cb -0.12 -2.17 -0.07 0.00 0.52 0.00 0.00 34.95 33.11 2q4n s ARG 83 CO 0.01 -1.17 0.83 -1.25 0.02 0.00 0.00 175.30 173.73 2q4n s PRO 84 N 0.44 3.86 0.31 3.54 0.04 -1.26 -1.80 135.00 140.13 2q4n s PRO 84 Ca 0.18 0.64 0.05 0.00 0.04 0.00 0.00 61.00 61.91 2q4n s PRO 84 Cb -0.23 -2.32 -0.06 0.00 0.04 0.00 0.00 34.50 31.92 2q4n s PRO 84 CO -0.00 -0.07 0.02 1.03 0.04 0.00 0.00 177.00 178.01 2q4n s ARG 85 N -3.78 1.62 0.48 4.56 0.52 -1.01 -4.63 118.95 116.71 2q4n s ARG 85 Ca 0.54 -1.87 0.27 0.00 -0.52 0.00 0.00 55.73 54.15 2q4n s ARG 85 Cb -0.10 -0.97 0.93 0.00 0.52 0.00 0.00 34.95 35.33 2q4n s ARG 85 CO 0.29 -0.11 1.82 -1.00 0.02 0.00 0.00 175.30 176.32 2q4n h PRO 86 N 2.17 0.00 0.00 3.54 0.13 -1.90 -2.56 132.00 133.37 2q4n h PRO 86 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2q4n h PRO 86 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2q4n h PRO 86 CO 0.69 0.11 0.00 -0.40 -0.23 0.00 0.00 178.00 178.17 2q4n n ASP 87 N -3.20 0.00 0.00 1.44 5.68 -1.26 -4.92 116.55 114.29 2q4n n ASP 87 Ca 0.01 -0.18 0.00 0.00 -0.50 0.00 0.00 54.79 54.13 2q4n n ASP 87 Cb 0.42 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 2q4n n ASP 87 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2q4n n GLY 88 N 0.23 3.05 3.57 6.12 0.00 -0.97 -5.00 105.19 112.20 2q4n n GLY 88 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 2q4n n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2q4n n SER 89 N 0.02 -0.45 -3.80 1.61 3.41 -1.26 0.12 113.62 113.27 2q4n n SER 89 Ca 0.00 0.46 -0.12 0.00 -0.26 0.00 0.00 58.87 58.95 2q4n n SER 89 Cb 0.00 -1.36 -0.10 0.00 -0.26 0.00 0.00 64.21 62.49 2q4n n SER 89 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2q4n s ILE 90 N -2.30 0.05 -0.07 -1.33 2.07 0.51 -2.40 121.20 117.73 2q4n s ILE 90 Ca 0.65 -0.44 0.05 0.00 -1.41 0.00 0.00 60.65 59.50 2q4n s ILE 90 Cb -0.26 -0.50 -0.00 0.00 0.13 0.00 0.00 42.46 41.82 2q4n s ILE 90 CO 0.59 -0.24 -0.23 -0.70 -1.91 0.00 0.00 174.94 172.45 2q4n s GLU 91 N -1.02 2.54 -0.08 3.50 2.12 -0.75 -2.51 118.70 122.50 2q4n s GLU 91 Ca -0.11 -0.82 0.02 0.00 0.36 0.00 0.00 54.97 54.43 2q4n s GLU 91 Cb -0.05 -2.06 0.01 0.00 0.26 0.00 0.00 34.13 32.29 2q4n s GLU 91 CO 0.03 0.27 -0.14 0.08 -0.54 0.00 0.00 175.26 174.95 2q4n s VAL 92 N 0.10 1.30 -0.09 3.70 1.01 -1.08 -0.63 120.40 124.71 2q4n s VAL 92 Ca -0.10 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.35 2q4n s VAL 92 Cb -0.15 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.05 2q4n s VAL 92 CO 0.05 0.39 -0.20 0.68 0.00 0.00 0.00 175.10 176.03 2q4n s VAL 93 N 0.73 1.75 -0.13 2.92 -7.23 -0.87 0.53 120.40 118.11 2q4n s VAL 93 Ca -0.13 -0.83 -0.00 0.00 -1.81 0.00 0.00 61.98 59.20 2q4n s VAL 93 Cb -0.16 -1.54 0.03 0.00 0.56 0.00 0.00 36.38 35.27 2q4n s VAL 93 CO 0.03 0.49 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.60 2q4n s ILE 94 N 0.51 1.08 -0.09 -0.62 1.01 -1.01 -1.43 121.20 120.66 2q4n s ILE 94 Ca -0.16 -0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.01 2q4n s ILE 94 Cb -0.17 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.13 2q4n s ILE 94 CO 0.06 0.33 0.24 0.00 0.00 0.00 0.00 174.94 175.56 2q4n s ALA 95 N 1.68 3.79 0.05 9.38 0.00 0.44 -1.90 121.76 135.20 2q4n s ALA 95 Ca 0.04 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.55 2q4n s ALA 95 Cb -0.13 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 2q4n s ALA 95 CO -0.08 0.51 -0.05 -0.65 0.00 0.00 0.00 175.76 175.48 2q4n s GLN 96 N -0.84 2.46 0.35 0.00 -0.21 -0.60 -0.42 119.66 120.41 2q4n s GLN 96 Ca 0.17 -0.82 0.26 0.00 0.02 0.00 0.00 55.36 55.00 2q4n s GLN 96 Cb -0.13 -2.48 1.20 0.00 1.00 0.00 0.00 33.01 32.60 2q4n s GLN 96 CO 0.07 0.56 1.79 1.03 -2.12 0.00 0.00 175.29 176.62 2q4n h SER 97 N 3.99 0.00 0.51 5.90 0.87 -1.49 0.63 113.55 123.97 2q4n h SER 97 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2q4n h SER 97 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2q4n h SER 97 CO 0.55 0.00 0.00 0.35 -0.53 0.00 0.00 176.83 177.20 2q4n n THR 98 N -2.45 0.83 -0.35 2.23 -2.24 -1.26 -4.91 114.28 106.14 2q4n n THR 98 Ca 0.01 0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 2q4n n THR 98 Cb 0.18 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 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 0.16 0.79 3.89 3.38 0.00 0.21 -5.11 105.19 108.51 2q4n n GLY 99 Ca 0.05 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 4.08 0.15 0.99 1.02 -1.19 -4.70 118.68 119.03 2q4n s LEU 100 Ca 0.00 -0.02 0.10 0.00 0.02 0.00 0.00 54.13 54.23 2q4n s LEU 100 Cb 0.00 -2.65 -0.04 0.00 0.02 0.00 0.00 46.19 43.52 2q4n s LEU 100 CO 0.00 0.00 -0.20 0.68 0.02 0.00 0.00 176.35 176.85 2q4n s VAL 101 N -1.89 2.63 -0.05 -1.59 -7.23 -0.86 -1.55 120.40 109.85 2q4n s VAL 101 Ca 0.33 -1.70 0.02 0.00 -1.81 0.00 0.00 61.98 58.82 2q4n s VAL 101 Cb -0.10 -2.22 0.01 0.00 0.56 0.00 0.00 36.38 34.63 2q4n s VAL 101 CO 0.27 0.02 -0.09 -1.61 -0.31 0.00 0.00 175.10 173.37 2q4n s GLU 102 N -2.33 1.32 -0.29 4.82 2.02 -0.80 -0.30 118.70 123.15 2q4n s GLU 102 Ca 0.18 -0.30 -0.06 0.00 0.02 0.00 0.00 54.97 54.82 2q4n s GLU 102 Cb -0.10 -1.16 0.01 0.00 0.10 0.00 0.00 34.13 32.99 2q4n s GLU 102 CO 0.10 0.01 0.05 0.08 0.02 0.00 0.00 175.26 175.52 2q4n s VAL 103 N 0.68 3.77 0.10 2.63 1.01 -0.70 -2.41 120.40 125.48 2q4n s VAL 103 Ca -0.12 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.13 2q4n s VAL 103 Cb -0.15 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2q4n s VAL 103 CO 0.02 0.11 0.20 -1.10 0.00 0.00 0.00 175.10 174.33 2q4n s GLN 104 N 1.47 3.29 0.01 2.72 -1.52 0.19 -0.96 119.66 124.87 2q4n s GLN 104 Ca 0.02 -0.57 0.01 0.00 -1.95 0.00 0.00 55.36 52.87 2q4n s GLN 104 Cb -0.17 -2.93 -0.01 0.00 -0.22 0.00 0.00 33.01 29.68 2q4n s GLN 104 CO 0.01 0.56 -0.04 0.15 -0.25 0.00 0.00 175.29 175.72 2q4n s LYS 105 N -2.77 0.33 0.00 2.91 -0.14 -0.27 -2.63 119.74 117.17 2q4n s LYS 105 Ca 0.33 -0.38 0.00 0.00 -1.36 0.00 0.00 55.97 54.56 2q4n s LYS 105 Cb -0.12 -0.18 0.00 0.00 -1.68 0.00 0.00 37.83 35.85 2q4n s LYS 105 CO 0.27 0.04 0.00 0.41 -0.76 0.00 0.00 175.35 175.30 2q4n n GLY 106 N 2.31 -0.63 3.19 -3.33 0.00 -1.04 -1.30 105.19 104.39 2q4n n GLY 106 Ca -0.18 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 2q4n n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2q4n s THR 107 N -3.73 0.21 0.16 2.61 -1.32 -1.17 -0.36 115.64 112.04 2q4n s THR 107 Ca 0.00 -1.95 0.07 0.00 -1.21 0.00 0.00 61.69 58.60 2q4n s THR 107 Cb 0.00 -2.20 -0.04 0.00 -1.51 0.00 0.00 72.50 68.74 2q4n s THR 107 CO 0.00 -0.33 -0.15 -0.72 -2.21 0.00 0.00 174.62 171.21 2q4n s TYR 108 N -3.99 1.62 -0.12 9.09 -0.85 0.33 -2.22 117.35 121.21 2q4n s TYR 108 Ca 0.28 -0.54 0.00 0.00 -0.52 0.00 0.00 57.07 56.29 2q4n s TYR 108 Cb 0.07 -0.80 0.02 0.00 0.38 0.00 0.00 41.96 41.63 2q4n s TYR 108 CO 0.05 0.26 -0.11 1.21 -1.52 0.00 0.00 175.55 175.45 2q4n s ASN 109 N -2.79 2.32 -0.02 -0.18 3.84 -0.24 -4.78 114.94 113.08 2q4n s ASN 109 Ca 0.15 -0.37 -0.24 0.00 0.21 0.00 0.00 52.86 52.61 2q4n s ASN 109 Cb -0.04 -0.97 -0.20 0.00 -0.55 0.00 0.00 41.25 39.50 2q4n s ASN 109 CO 0.05 -0.07 1.21 0.58 -2.79 0.00 0.00 177.10 176.08 2q4n h VAL 110 N 6.10 1.43 -0.84 -5.21 2.07 -1.97 0.53 116.25 118.37 2q4n h VAL 110 Ca -0.33 -1.43 0.16 0.00 0.82 0.00 0.00 66.70 65.93 2q4n h VAL 110 Cb 1.14 2.28 -0.10 0.00 -1.52 0.00 0.00 31.29 33.09 2q4n h VAL 110 CO 0.46 0.39 0.39 0.44 0.02 0.00 0.00 177.57 179.26 2q4n h ASP 111 N -0.38 0.40 0.11 0.57 3.32 -1.98 0.86 116.42 119.32 2q4n h ASP 111 Ca 0.00 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2q4n h ASP 111 Cb 0.68 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2q4n h ASP 111 CO 0.02 0.13 -0.39 -0.62 -1.72 0.00 0.00 179.24 176.66 2q4n n GLU 112 N -4.95 0.98 -3.59 3.56 1.02 -1.14 -4.97 120.64 111.55 2q4n n GLU 112 Ca 0.18 -0.72 -0.24 0.00 -0.02 0.00 0.00 57.16 56.36 2q4n n GLU 112 Cb 0.49 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.47 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 -0.38 -2.80 -4.28 3.49 6.02 0.17 -4.56 117.38 115.03 2q4n n GLN 113 Ca 0.10 0.61 -0.16 0.00 -0.01 0.00 0.00 57.00 57.54 2q4n n GLN 113 Cb 0.41 -4.90 -0.10 0.00 1.02 0.00 0.00 30.24 26.66 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 -3.78 2.08 -0.07 1.08 1.04 0.02 -1.86 113.70 112.20 2q4n s SER 114 Ca 0.30 -0.99 -0.03 0.00 0.48 0.00 0.00 55.95 55.71 2q4n s SER 114 Cb -0.08 -0.06 0.04 0.00 0.10 0.00 0.00 66.02 66.02 2q4n s SER 114 CO 0.82 -0.25 0.14 -0.63 0.98 0.00 0.00 173.24 174.29 2q4n s ILE 115 N -3.05 -0.19 -0.19 -1.02 1.01 -0.14 -1.08 121.20 116.54 2q4n s ILE 115 Ca 0.17 0.32 0.01 0.00 0.00 0.00 0.00 60.65 61.16 2q4n s ILE 115 Cb 0.00 -0.26 0.03 0.00 0.01 0.00 0.00 42.46 42.25 2q4n s ILE 115 CO 0.03 0.13 -0.15 -0.54 0.00 0.00 0.00 174.94 174.42 2q4n s LYS 116 N 1.99 2.46 -0.02 2.79 1.02 -0.94 -0.19 119.74 126.85 2q4n s LYS 116 Ca 0.00 -0.85 0.07 0.00 0.02 0.00 0.00 55.97 55.21 2q4n s LYS 116 Cb -0.12 -2.47 -0.02 0.00 -0.52 0.00 0.00 37.83 34.70 2q4n s LYS 116 CO -0.05 -0.33 -0.21 -0.51 -0.92 0.00 0.00 175.35 173.32 2q4n s LEU 117 N 1.34 2.34 0.02 3.17 1.43 0.22 -3.05 118.68 124.14 2q4n s LEU 117 Ca 0.01 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 2q4n s LEU 117 Cb -0.15 -1.42 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 2q4n s LEU 117 CO -0.10 0.32 -0.10 -0.54 0.23 0.00 0.00 176.35 176.15 2q4n s LYS 118 N -0.80 0.73 -0.11 1.70 1.02 -0.42 -1.37 119.74 120.49 2q4n s LYS 118 Ca 0.11 -0.53 -0.30 0.00 0.02 0.00 0.00 55.97 55.28 2q4n s LYS 118 Cb -0.10 -0.68 -0.03 0.00 -0.52 0.00 0.00 37.83 36.50 2q4n s LYS 118 CO 0.00 0.17 1.34 -1.54 -0.92 0.00 0.00 175.35 174.41 2q4n s SER 119 N -0.74 6.90 0.40 2.83 1.04 -0.97 -1.11 113.70 122.05 2q4n s SER 119 Ca 0.00 1.85 0.12 0.00 0.48 0.00 0.00 55.95 58.41 2q4n s SER 119 Cb -0.06 -2.54 0.81 0.00 0.10 0.00 0.00 66.02 64.33 2q4n s SER 119 CO 0.00 -0.76 1.90 -0.78 0.98 0.00 0.00 173.24 174.58 2q4n h ASP 120 N 8.30 0.06 -4.61 7.02 3.58 -1.38 -3.47 116.42 125.92 2q4n h ASP 120 Ca -0.31 -0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.15 2q4n h ASP 120 Cb 1.13 -0.02 -0.19 0.00 1.72 0.00 0.00 39.33 41.97 2q4n h ASP 120 CO 0.95 0.32 0.37 -0.22 -2.88 0.00 0.00 179.24 177.78 2q4n s LEU 121 N -8.48 -0.50 -0.11 2.28 0.20 -1.23 -5.02 118.68 105.83 2q4n s LEU 121 Ca -0.04 0.43 0.02 0.00 0.69 0.00 0.00 54.13 55.23 2q4n s LEU 121 Cb 0.15 2.21 0.01 0.00 -0.43 0.00 0.00 46.19 48.14 2q4n s LEU 121 CO 0.72 -0.54 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.39 2q4n s VAL 122 N -1.65 1.56 -0.06 1.68 1.01 -1.26 -1.72 120.40 119.96 2q4n s VAL 122 Ca -0.04 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 2q4n s VAL 122 Cb -0.00 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2q4n s VAL 122 CO 0.02 0.45 0.07 -0.83 0.00 0.00 0.00 175.10 174.82 2q4n s GLY 123 N 0.99 2.01 -1.48 4.51 0.00 0.59 -4.56 107.32 109.37 2q4n s GLY 123 Ca -0.06 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 43.87 2q4n s GLY 123 CO -0.02 -0.60 0.00 -2.01 0.00 0.00 0.00 173.10 170.47 2q4n n ASN 124 N 1.67 -4.68 -4.79 1.64 5.15 -1.26 -2.03 115.26 110.96 2q4n n ASN 124 Ca -0.16 0.33 -0.38 0.00 -0.60 0.00 0.00 54.58 53.76 2q4n n ASN 124 Cb 0.54 -3.46 -0.06 0.00 -0.53 0.00 0.00 39.78 36.27 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 -2.54 3.42 -0.40 5.20 0.00 -1.26 -4.74 121.76 121.43 2q4n s ALA 125 Ca 0.00 0.31 0.22 0.00 0.00 0.00 0.00 51.96 52.48 2q4n s ALA 125 Cb 0.00 -2.92 -0.23 0.00 0.00 0.00 0.00 23.12 19.96 2q4n s ALA 125 CO 0.00 0.30 0.71 -1.13 0.00 0.00 0.00 175.76 175.63 2q4n n SER 126 N 1.24 0.42 0.01 0.00 3.41 -1.26 -4.87 113.62 112.57 2q4n n SER 126 Ca -0.04 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.27 2q4n n SER 126 Cb 0.50 1.46 0.00 0.00 -0.26 0.00 0.00 64.21 65.91 2q4n n SER 126 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2q4n n LYS 127 N -2.02 0.00 -2.30 4.33 5.02 -1.26 -5.08 118.16 116.85 2q4n n LYS 127 Ca -0.01 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.92 2q4n n LYS 127 Cb 0.48 -0.13 -0.01 0.00 -0.02 0.00 0.00 35.03 35.35 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 -2.00 3.21 -0.06 -0.18 1.01 -1.26 -4.25 120.40 116.87 2q4n s VAL 128 Ca 0.00 0.85 -0.01 0.00 0.00 0.00 0.00 61.98 62.82 2q4n s VAL 128 Cb 0.00 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 2q4n s VAL 128 CO 0.00 -0.06 -0.06 0.29 0.00 0.00 0.00 175.10 175.26 2q4n n LYS 129 N -0.71 0.13 -4.09 2.72 4.76 -0.18 -4.78 118.16 116.01 2q4n n LYS 129 Ca 0.08 0.04 -0.10 0.00 -2.87 0.00 0.00 58.31 55.47 2q4n n LYS 129 Cb 0.49 -0.91 -0.11 0.00 -1.84 0.00 0.00 35.03 32.67 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 -2.11 0.60 -0.02 1.97 8.01 -0.90 -4.49 118.70 121.76 2q4n s GLU 130 Ca -0.08 -1.02 0.01 0.00 0.01 0.00 0.00 54.97 53.89 2q4n s GLU 130 Cb 0.03 -0.06 0.02 0.00 -4.31 0.00 0.00 34.13 29.80 2q4n s GLU 130 CO 0.11 -0.03 -0.02 0.42 0.01 0.00 0.00 175.26 175.75 2q4n s ILE 131 N -2.73 0.31 -0.03 -1.63 1.01 -1.26 -1.16 121.20 115.71 2q4n s ILE 131 Ca -0.00 -0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.64 2q4n s ILE 131 Cb -0.01 -0.34 -0.03 0.00 0.01 0.00 0.00 42.46 42.09 2q4n s ILE 131 CO -0.04 0.15 -0.14 -0.44 0.00 0.00 0.00 174.94 174.46 2q4n s SER 132 N 0.61 4.02 -0.09 3.58 0.01 0.63 -2.28 113.70 120.19 2q4n s SER 132 Ca -0.07 -0.23 0.04 0.00 1.31 0.00 0.00 55.95 57.00 2q4n s SER 132 Cb -0.10 -0.82 0.00 0.00 0.21 0.00 0.00 66.02 65.31 2q4n s SER 132 CO -0.01 0.33 -0.20 -0.13 0.41 0.00 0.00 173.24 173.64 2q4n s ARG 133 N -0.88 2.57 -0.06 12.44 0.52 -0.47 -1.11 118.95 131.96 2q4n s ARG 133 Ca 0.12 -0.73 0.00 0.00 -0.52 0.00 0.00 55.73 54.61 2q4n s ARG 133 Cb -0.11 -1.99 0.02 0.00 0.52 0.00 0.00 34.95 33.39 2q4n s ARG 133 CO 0.02 0.15 -0.05 -1.21 0.02 0.00 0.00 175.30 174.23 2q4n s GLU 134 N 0.40 1.00 0.12 3.54 2.02 -1.26 0.70 118.70 125.22 2q4n s GLU 134 Ca -0.16 -0.12 0.07 0.00 0.02 0.00 0.00 54.97 54.78 2q4n s GLU 134 Cb -0.17 -1.06 -0.04 0.00 0.10 0.00 0.00 34.13 32.96 2q4n s GLU 134 CO 0.07 -0.15 -0.06 -0.06 0.02 0.00 0.00 175.26 175.08 2q4n s PHE 135 N 1.26 2.80 -0.26 1.61 0.40 0.73 -1.66 117.98 122.87 2q4n s PHE 135 Ca -0.05 -0.13 -0.14 0.00 -0.60 0.00 0.00 56.93 56.00 2q4n s PHE 135 Cb -0.14 -1.43 0.08 0.00 0.51 0.00 0.00 43.02 42.04 2q4n s PHE 135 CO -0.02 0.46 0.63 -2.00 0.70 0.00 0.00 175.22 174.99 2q4n s GLU 136 N -2.41 0.63 0.08 0.44 2.12 -0.11 -0.97 118.70 118.49 2q4n s GLU 136 Ca 0.24 1.14 -0.30 0.00 0.36 0.00 0.00 54.97 56.40 2q4n s GLU 136 Cb -0.11 0.12 -0.05 0.00 0.26 0.00 0.00 34.13 34.35 2q4n s GLU 136 CO 0.16 -0.15 1.03 -1.17 -0.54 0.00 0.00 175.26 174.58 2q4n s LEU 137 N 1.62 4.44 -0.19 2.70 2.96 -0.78 -2.11 118.68 127.32 2q4n s LEU 137 Ca -0.10 1.84 -0.04 0.00 -0.22 0.00 0.00 54.13 55.61 2q4n s LEU 137 Cb -0.06 -3.58 0.10 0.00 0.50 0.00 0.00 46.19 43.14 2q4n s LEU 137 CO -0.18 -0.22 0.32 0.68 -1.32 0.00 0.00 176.35 175.63 2q4n s VAL 138 N 0.43 -0.50 -1.56 1.68 -7.23 0.17 -4.83 120.40 108.57 2q4n s VAL 138 Ca 0.51 0.06 -0.05 0.00 -1.81 0.00 0.00 61.98 60.69 2q4n s VAL 138 Cb -0.25 -0.65 0.01 0.00 0.56 0.00 0.00 36.38 36.05 2q4n s VAL 138 CO 0.30 -0.04 0.59 -0.67 -0.31 0.00 0.00 175.10 174.97 2q4n n ASP 139 N 5.36 -6.02 0.00 4.85 -0.08 -1.26 -2.59 116.55 116.80 2q4n n ASP 139 Ca -0.06 -0.29 0.00 0.00 -1.51 0.00 0.00 54.79 52.94 2q4n n ASP 139 Cb 0.50 -4.87 0.00 0.00 2.34 0.00 0.00 41.12 39.09 2q4n n ASP 139 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2q4n n GLY 140 N -1.50 1.78 3.77 0.27 0.00 -1.26 -5.01 105.19 103.24 2q4n n GLY 140 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.06 3.92 -0.05 1.61 1.02 -1.07 -4.60 119.74 120.51 2q4n s LYS 141 Ca 0.00 -0.21 -0.30 0.00 0.02 0.00 0.00 55.97 55.48 2q4n s LYS 141 Cb 0.00 -3.32 -0.03 0.00 -0.52 0.00 0.00 37.83 33.96 2q4n s LYS 141 CO 0.00 0.45 1.10 -1.17 -0.92 0.00 0.00 175.35 174.81 2q4n s LEU 142 N -0.08 4.29 0.04 3.17 2.96 -1.03 -0.65 118.68 127.38 2q4n s LEU 142 Ca 0.10 1.71 0.06 0.00 -0.22 0.00 0.00 54.13 55.77 2q4n s LEU 142 Cb -0.11 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 2q4n s LEU 142 CO 0.00 -0.48 -0.16 -0.44 -1.32 0.00 0.00 176.35 173.95 2q4n s SER 143 N 1.23 1.91 0.27 3.68 0.01 -0.90 -1.42 113.70 118.49 2q4n s SER 143 Ca 0.53 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 57.31 2q4n s SER 143 Cb -0.22 -0.13 -0.03 0.00 0.21 0.00 0.00 66.02 65.85 2q4n s SER 143 CO 0.22 0.06 0.25 -0.72 0.41 0.00 0.00 173.24 173.47 2q4n s TYR 144 N -0.86 1.33 -0.42 2.43 -0.85 -0.91 -0.93 117.35 117.14 2q4n s TYR 144 Ca 0.03 -1.44 0.04 0.00 -0.52 0.00 0.00 57.07 55.19 2q4n s TYR 144 Cb -0.08 -0.52 0.17 0.00 0.38 0.00 0.00 41.96 41.91 2q4n s TYR 144 CO 0.02 -0.81 0.39 0.08 -1.52 0.00 0.00 175.55 173.71 2q4n s VAL 145 N -3.75 0.09 0.23 -3.49 1.01 -0.66 -2.07 120.40 111.77 2q4n s VAL 145 Ca 0.38 -2.28 -0.31 0.00 0.00 0.00 0.00 61.98 59.77 2q4n s VAL 145 Cb 0.04 -1.03 -0.11 0.00 0.00 0.00 0.00 36.38 35.28 2q4n s VAL 145 CO 0.19 -1.01 1.55 -0.69 0.00 0.00 0.00 175.10 175.13 2q4n s VAL 146 N 0.29 2.43 0.02 2.92 1.01 -0.68 -4.47 120.40 121.92 2q4n s VAL 146 Ca 0.31 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.63 2q4n s VAL 146 Cb 0.01 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.18 2q4n s VAL 146 CO -0.16 0.04 0.00 0.54 0.00 0.00 0.00 175.10 175.53 2q4n n ARG 147 N 2.95 1.79 -3.69 2.72 1.74 -0.27 -1.58 116.66 120.33 2q4n n ARG 147 Ca 0.10 -0.16 -0.11 0.00 -0.77 0.00 0.00 57.85 56.91 2q4n n ARG 147 Cb 0.38 0.05 -0.06 0.00 -1.02 0.00 0.00 32.46 31.82 2q4n n ARG 147 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2q4n s SER 149 N -1.12 -0.17 0.28 0.55 0.15 -0.31 -0.27 113.70 112.80 2q4n s SER 149 Ca 0.00 -0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.41 2q4n s SER 149 Cb 0.00 0.42 -0.01 0.00 -1.71 0.00 0.00 66.02 64.72 2q4n s SER 149 CO 0.00 -0.75 0.12 0.35 1.20 0.00 0.00 173.24 174.16 2q4n n THR 150 N 0.10 0.00 0.26 6.45 -2.24 0.82 -1.02 114.28 118.65 2q4n n THR 150 Ca -0.17 -1.67 0.09 0.00 -2.27 0.00 0.00 64.05 60.03 2q4n n THR 150 Cb 0.62 0.64 0.66 0.00 -2.10 0.00 0.00 70.33 70.15 2q4n n THR 150 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2q4n h THR 151 N 1.52 0.94 0.00 4.28 2.02 -1.95 -3.25 112.91 116.46 2q4n h THR 151 Ca -0.21 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.82 2q4n h THR 151 Cb 0.85 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 2q4n h THR 151 CO 0.33 0.04 -0.96 0.35 0.37 0.00 0.00 175.52 175.66 2q4n n THR 152 N -4.35 0.00 -3.94 3.16 -2.24 -1.26 -4.92 114.28 100.73 2q4n n THR 152 Ca -0.03 -0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 61.15 2q4n n THR 152 Cb 0.13 0.62 -0.14 0.00 -2.10 0.00 0.00 70.33 68.84 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 -2.51 4.51 0.87 3.42 -0.87 -1.23 -5.11 114.94 114.03 2q4n s ASN 153 Ca -0.00 -0.33 -0.11 0.00 -1.57 0.00 0.00 52.86 50.85 2q4n s ASN 153 Cb 0.06 -1.78 0.11 0.00 -0.02 0.00 0.00 41.25 39.63 2q4n s ASN 153 CO 0.38 -0.00 1.09 -2.84 -2.57 0.00 0.00 177.10 173.16 2q4n s PRO 154 N 1.39 1.47 -0.31 -0.60 0.02 -1.26 -0.13 135.00 135.59 2q4n s PRO 154 Ca 0.05 0.84 -0.43 0.00 0.02 0.00 0.00 61.00 61.47 2q4n s PRO 154 Cb -0.14 -1.83 -0.19 0.00 0.02 0.00 0.00 34.50 32.36 2q4n s PRO 154 CO -0.01 -2.10 1.50 -0.11 -0.33 0.00 0.00 177.00 175.96 2q4n n LEU 155 N -3.79 1.25 -3.72 -5.54 7.94 -1.26 -4.51 117.00 107.37 2q4n n LEU 155 Ca 0.07 1.15 -0.07 0.00 -1.11 0.00 0.00 56.01 56.05 2q4n n LEU 155 Cb 0.55 -0.97 -0.02 0.00 0.53 0.00 0.00 43.42 43.51 2q4n n LEU 155 CO 0.55 -0.98 0.53 0.00 -1.11 0.00 0.00 177.39 176.38 2q4n s GLN 156 N 2.31 1.47 0.30 1.96 -2.07 -1.26 -4.94 119.66 117.44 2q4n s GLN 156 Ca 0.99 -0.76 -0.29 0.00 -1.82 0.00 0.00 55.36 53.48 2q4n s GLN 156 Cb -1.32 0.54 -0.13 0.00 -1.09 0.00 0.00 33.01 31.01 2q4n s GLN 156 CO 0.71 -0.67 1.31 -2.30 -1.32 0.00 0.00 175.29 173.02 2q4n n PRO 157 N -0.43 2.04 0.00 9.60 -0.02 -1.26 -4.40 135.00 140.53 2q4n n PRO 157 Ca -0.07 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2q4n n PRO 157 Cb 0.61 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 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 0.87 0.00 -4.10 6.00 -0.00 -0.61 -4.71 115.22 112.67 2q4n n HIS 158 Ca 0.07 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.11 2q4n n HIS 158 Cb 0.34 0.09 -0.13 0.00 -0.12 0.00 0.00 29.99 30.17 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 -4.40 2.10 0.02 0.27 1.43 -0.65 -1.12 118.68 116.34 2q4n s LEU 159 Ca 0.00 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 2q4n s LEU 159 Cb 0.00 -0.20 -0.01 0.00 0.03 0.00 0.00 46.19 46.01 2q4n s LEU 159 CO 0.00 -0.05 -0.04 -1.59 0.23 0.00 0.00 176.35 174.90 2q4n s LYS 160 N -0.67 0.33 0.04 1.70 -2.85 -0.85 -1.68 119.74 115.76 2q4n s LYS 160 Ca -0.03 -0.46 -0.20 0.00 -1.00 0.00 0.00 55.97 54.27 2q4n s LYS 160 Cb -0.05 -0.12 0.04 0.00 -2.06 0.00 0.00 37.83 35.65 2q4n s LYS 160 CO -0.00 0.02 0.47 0.00 0.10 0.00 0.00 175.35 175.93 2q4n s ALA 161 N -0.92 -1.17 -0.03 0.59 0.00 -0.88 -1.56 121.76 117.79 2q4n s ALA 161 Ca -0.08 0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.39 2q4n s ALA 161 Cb -0.07 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.39 2q4n s ALA 161 CO -0.00 -0.46 -0.05 0.42 0.00 0.00 0.00 175.76 175.67 2q4n s ILE 162 N -2.31 0.49 0.04 0.00 1.01 -0.38 -2.14 121.20 117.91 2q4n s ILE 162 Ca -0.06 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.44 2q4n s ILE 162 Cb -0.01 -0.47 -0.02 0.00 0.01 0.00 0.00 42.46 41.96 2q4n s ILE 162 CO -0.01 0.18 -0.08 -0.76 0.00 0.00 0.00 174.94 174.27 2q4n s LEU 163 N 0.45 2.25 0.01 2.97 1.02 -0.50 -0.16 118.68 124.71 2q4n s LEU 163 Ca -0.06 -0.54 -0.02 0.00 0.02 0.00 0.00 54.13 53.54 2q4n s LEU 163 Cb -0.09 -0.17 -0.04 0.00 0.02 0.00 0.00 46.19 45.91 2q4n s LEU 163 CO -0.00 -0.19 0.17 -1.81 0.02 0.00 0.00 176.35 174.53 2q4n s ASP 164 N -1.54 6.24 -0.19 2.29 1.01 0.33 -2.45 116.67 122.35 2q4n s ASP 164 Ca -0.10 0.29 -0.29 0.00 0.71 0.00 0.00 52.55 53.17 2q4n s ASP 164 Cb -0.10 -1.93 -0.02 0.00 1.01 0.00 0.00 42.92 41.89 2q4n s ASP 164 CO 0.00 0.25 1.40 -0.75 0.21 0.00 0.00 175.17 176.28 2q4n s LYS 165 N -2.02 4.06 0.00 8.23 2.20 -1.26 -1.65 119.74 129.30 2q4n s LYS 165 Ca 0.28 1.64 0.17 0.00 -0.36 0.00 0.00 55.97 57.70 2q4n s LYS 165 Cb -0.13 -3.88 1.04 0.00 -1.51 0.00 0.00 37.83 33.36 2q4n s LYS 165 CO 0.20 -0.95 1.44 1.28 -0.36 0.00 0.00 175.35 176.96