#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 -1.65 -2.69 0.52 -0.04 -1.26 -4.61 135.00 125.27 2q4n n PRO 15 Ca 0.00 -0.45 -0.42 0.00 -0.04 0.00 0.00 63.50 62.60 2q4n n PRO 15 Cb 0.00 -2.05 -0.03 0.00 -0.04 0.00 0.00 33.50 31.38 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 -2.40 4.69 0.50 0.52 1.01 -1.26 -4.11 120.40 119.35 2q4n s VAL 16 Ca 0.64 2.00 -0.22 0.00 0.00 0.00 0.00 61.98 64.40 2q4n s VAL 16 Cb -0.21 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 31.83 2q4n s VAL 16 CO 0.64 0.20 1.25 -2.28 0.00 0.00 0.00 175.10 174.91 2q4n s HIS 17 N 0.74 2.60 -0.07 5.22 2.46 -1.26 -4.82 115.29 120.16 2q4n s HIS 17 Ca 0.51 1.47 0.24 0.00 0.47 0.00 0.00 55.06 57.75 2q4n s HIS 17 Cb -0.22 -3.56 1.30 0.00 -0.13 0.00 0.00 32.58 29.97 2q4n s HIS 17 CO 0.29 -2.13 1.73 -1.00 -2.47 0.00 0.00 174.74 171.15 2q4n h PRO 18 N 1.73 0.00 0.00 2.88 0.13 -1.95 -1.00 132.00 133.80 2q4n h PRO 18 Ca -0.50 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.47 2q4n h PRO 18 Cb 1.27 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 2q4n h PRO 18 CO 0.59 0.00 -1.28 0.74 -0.23 0.00 0.00 178.00 177.81 2q4n h PHE 19 N 0.00 0.00 0.00 1.56 -1.00 -1.92 -3.33 116.94 112.26 2q4n h PHE 19 Ca 0.00 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.57 2q4n h PHE 19 Cb 0.05 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.57 2q4n h PHE 19 CO 0.00 0.58 -1.50 0.28 -1.61 0.00 0.00 178.31 176.05 2q4n n VAL 20 N -2.94 1.32 -0.29 -0.55 0.31 -0.46 -4.33 118.33 111.38 2q4n n VAL 20 Ca -0.08 -0.72 0.14 0.00 -0.01 0.00 0.00 64.34 63.67 2q4n n VAL 20 Cb 0.83 -0.83 0.39 0.00 -0.91 0.00 0.00 33.84 33.31 2q4n n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2q4n h ALA 21 N 1.29 1.87 0.00 3.52 0.00 -1.44 0.29 119.26 124.79 2q4n h ALA 21 Ca -0.20 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2q4n h ALA 21 Cb 1.72 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 2q4n h ALA 21 CO 0.06 -0.16 -0.05 -1.35 0.00 0.00 0.00 179.25 177.75 2q4n h PRO 22 N 0.66 0.00 -0.62 0.00 0.11 -1.79 -0.61 132.00 129.75 2q4n h PRO 22 Ca 0.50 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.48 2q4n h PRO 22 Cb 0.88 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.91 2q4n h PRO 22 CO -0.25 0.05 0.14 1.28 -0.21 0.00 0.00 178.00 179.01 2q4n n LEU 23 N -3.24 5.64 0.28 2.35 4.77 0.98 -4.61 117.00 123.18 2q4n n LEU 23 Ca -0.01 -3.14 0.15 0.00 -0.03 0.00 0.00 56.01 52.98 2q4n n LEU 23 Cb 0.25 -0.70 0.85 0.00 -2.33 0.00 0.00 43.42 41.49 2q4n n LEU 23 CO 0.27 0.76 1.05 0.77 -1.33 0.00 0.00 177.39 178.90 2q4n h SER 24 N 2.89 0.00 0.18 -1.43 4.64 -0.71 -1.38 113.55 117.75 2q4n h SER 24 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2q4n h SER 24 Cb 2.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.19 2q4n h SER 24 CO 0.59 0.06 0.00 0.10 -0.87 0.00 0.00 176.83 176.71 2q4n h TYR 25 N 0.00 0.00 0.00 4.77 -0.00 -1.82 -1.60 116.97 118.32 2q4n h TYR 25 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.70 2q4n h TYR 25 Cb 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.95 2q4n h TYR 25 CO 0.00 0.00 -0.12 -0.07 -0.00 0.00 0.00 178.16 177.97 2q4n h LEU 26 N 0.00 0.00 -9.90 0.10 3.38 -1.62 -3.47 115.31 103.80 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 0.09 0.00 0.09 0.00 0.09 0.00 0.00 40.66 40.94 2q4n h LEU 26 CO 0.00 0.12 0.79 -0.76 0.09 0.00 0.00 178.44 178.68 2q4n s LEU 27 N -6.29 4.34 0.00 1.67 1.43 -0.60 -4.51 118.68 114.71 2q4n s LEU 27 Ca 0.05 2.97 0.00 0.00 -1.03 0.00 0.00 54.13 56.12 2q4n s LEU 27 Cb 0.06 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.63 2q4n s LEU 27 CO 0.67 -0.84 0.00 0.61 0.23 0.00 0.00 176.35 177.03 2q4n n GLY 28 N 0.96 0.26 3.48 -3.19 0.00 -0.83 -4.97 105.19 100.89 2q4n n GLY 28 Ca 0.03 -2.30 -0.32 0.00 0.00 0.00 0.00 46.02 43.43 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 -0.10 3.06 -0.03 2.61 2.01 -1.26 -1.10 115.64 120.82 2q4n s THR 29 Ca 0.00 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.21 2q4n s THR 29 Cb 0.00 -2.23 0.01 0.00 0.01 0.00 0.00 72.50 70.29 2q4n s THR 29 CO 0.00 0.53 -0.09 0.26 -0.69 0.00 0.00 174.62 174.62 2q4n s TRP 30 N -0.79 1.05 -0.00 4.92 0.52 0.11 -0.26 118.94 124.48 2q4n s TRP 30 Ca 0.13 -0.29 0.01 0.00 0.02 0.00 0.00 56.10 55.97 2q4n s TRP 30 Cb -0.11 -0.76 -0.00 0.00 -1.15 0.00 0.00 33.47 31.45 2q4n s TRP 30 CO 0.02 -0.14 -0.04 0.50 0.02 0.00 0.00 176.95 177.31 2q4n s ARG 31 N 0.33 0.30 0.00 4.98 3.52 0.14 -0.44 118.95 127.78 2q4n s ARG 31 Ca -0.06 -0.15 0.00 0.00 -0.13 0.00 0.00 55.73 55.40 2q4n s ARG 31 Cb -0.10 -0.28 0.00 0.00 -1.56 0.00 0.00 34.95 33.00 2q4n s ARG 31 CO 0.01 0.08 0.00 0.41 -0.81 0.00 0.00 175.30 174.99 2q4n n GLY 32 N 2.95 1.69 3.65 8.12 0.00 -0.21 -1.42 105.19 119.97 2q4n n GLY 32 Ca -0.13 0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 4.90 1.59 0.22 1.61 -2.07 -1.12 -1.71 119.66 123.08 2q4n s GLN 33 Ca 0.00 -1.18 -0.07 0.00 -1.82 0.00 0.00 55.36 52.29 2q4n s GLN 33 Cb 0.00 0.50 0.03 0.00 -1.09 0.00 0.00 33.01 32.45 2q4n s GLN 33 CO 0.00 -0.68 0.41 0.41 -1.32 0.00 0.00 175.29 174.11 2q4n n GLY 34 N -0.40 1.66 3.11 2.60 0.00 -0.56 -2.40 105.19 109.21 2q4n n GLY 34 Ca -0.02 -1.23 -0.18 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.14 0.80 0.10 1.61 2.02 -0.40 -2.15 118.70 118.54 2q4n s GLU 35 Ca 0.11 -0.72 0.06 0.00 0.02 0.00 0.00 54.97 54.43 2q4n s GLU 35 Cb -0.02 -0.76 -0.03 0.00 0.10 0.00 0.00 34.13 33.41 2q4n s GLU 35 CO 0.08 0.18 -0.16 0.20 0.02 0.00 0.00 175.26 175.58 2q4n s GLY 36 N -1.19 1.04 -0.09 -1.39 0.00 0.17 -1.76 107.32 104.12 2q4n s GLY 36 Ca -0.01 -1.18 -0.30 0.00 0.00 0.00 0.00 44.72 43.22 2q4n s GLY 36 CO 0.01 -1.22 0.99 -1.83 0.00 0.00 0.00 173.10 171.05 2q4n s GLU 37 N -2.18 0.64 -0.23 2.90 -1.05 -0.46 -1.45 118.70 116.88 2q4n s GLU 37 Ca 0.05 -0.15 -0.28 0.00 -0.15 0.00 0.00 54.97 54.44 2q4n s GLU 37 Cb -0.08 0.30 0.13 0.00 -0.44 0.00 0.00 34.13 34.04 2q4n s GLU 37 CO 0.03 -0.26 1.07 -0.47 0.95 0.00 0.00 175.26 176.58 2q4n s TYR 38 N -2.45 -0.36 0.32 4.83 5.04 -1.26 -4.38 117.35 119.10 2q4n s TYR 38 Ca 0.04 0.76 0.05 0.00 -2.44 0.00 0.00 57.07 55.48 2q4n s TYR 38 Cb -0.01 0.42 0.85 0.00 0.35 0.00 0.00 41.96 43.58 2q4n s TYR 38 CO -0.05 -0.25 1.58 -1.35 -1.34 0.00 0.00 175.55 174.13 2q4n h PRO 39 N 3.20 0.02 -0.30 4.97 0.11 -2.01 -0.15 132.00 137.84 2q4n h PRO 39 Ca -0.22 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2q4n h PRO 39 Cb 1.17 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2q4n h PRO 39 CO 0.22 0.01 0.00 0.25 -0.21 0.00 0.00 178.00 178.27 2q4n n THR 40 N -5.43 0.30 -3.91 -1.15 -2.24 -1.26 -4.89 114.28 95.69 2q4n n THR 40 Ca 0.26 -0.25 -0.09 0.00 -2.27 0.00 0.00 64.05 61.70 2q4n n THR 40 Cb 0.84 0.02 -0.09 0.00 -2.10 0.00 0.00 70.33 69.01 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 -1.71 0.14 0.45 2.28 -4.36 -0.07 -5.17 121.20 112.77 2q4n s ILE 41 Ca 0.12 -1.18 -0.13 0.00 -0.26 0.00 0.00 60.65 59.20 2q4n s ILE 41 Cb 0.07 -1.11 -0.07 0.00 1.25 0.00 0.00 42.46 42.60 2q4n s ILE 41 CO 0.07 -0.65 0.86 -2.16 0.24 0.00 0.00 174.94 173.30 2q4n s PRO 42 N -3.14 3.84 0.57 0.37 0.04 -1.26 -4.07 135.00 131.34 2q4n s PRO 42 Ca -0.00 0.66 -0.21 0.00 0.04 0.00 0.00 61.00 61.48 2q4n s PRO 42 Cb 0.02 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 2q4n s PRO 42 CO -0.07 -0.14 1.35 -1.54 0.04 0.00 0.00 177.00 176.64 2q4n s SER 43 N -3.16 5.11 0.07 6.66 1.04 -1.26 -4.79 113.70 117.36 2q4n s SER 43 Ca 0.54 2.75 -0.08 0.00 0.48 0.00 0.00 55.95 59.64 2q4n s SER 43 Cb -0.10 -2.63 -0.00 0.00 0.10 0.00 0.00 66.02 63.38 2q4n s SER 43 CO 0.32 -1.68 0.18 0.72 0.98 0.00 0.00 173.24 173.76 2q4n s PHE 44 N -1.32 0.13 0.19 5.02 -0.71 -0.53 -5.01 117.98 115.76 2q4n s PHE 44 Ca 0.74 -0.48 0.11 0.00 -1.04 0.00 0.00 56.93 56.26 2q4n s PHE 44 Cb -0.40 -0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.30 2q4n s PHE 44 CO 0.46 -0.48 -0.22 1.03 -1.34 0.00 0.00 175.22 174.67 2q4n s ARG 45 N -3.30 1.60 0.08 1.99 0.52 -1.26 -0.65 118.95 117.93 2q4n s ARG 45 Ca 0.01 -1.48 -0.18 0.00 -0.52 0.00 0.00 55.73 53.56 2q4n s ARG 45 Cb 0.02 -1.90 0.04 0.00 0.52 0.00 0.00 34.95 33.64 2q4n s ARG 45 CO -0.08 0.41 0.43 1.52 0.02 0.00 0.00 175.30 177.60 2q4n s TYR 46 N -1.65 -0.28 0.33 -0.53 1.13 -0.91 -4.68 117.35 110.76 2q4n s TYR 46 Ca 0.21 0.14 -0.03 0.00 -1.41 0.00 0.00 57.07 55.97 2q4n s TYR 46 Cb -0.08 0.27 -0.04 0.00 -1.10 0.00 0.00 41.96 41.00 2q4n s TYR 46 CO 0.10 -0.65 0.58 0.20 -2.51 0.00 0.00 175.55 173.27 2q4n s GLY 47 N -2.35 1.66 -0.10 5.49 0.00 0.49 -1.49 107.32 111.02 2q4n s GLY 47 Ca -0.02 -0.66 -0.09 0.00 0.00 0.00 0.00 44.72 43.96 2q4n s GLY 47 CO -0.07 -0.56 0.25 1.85 0.00 0.00 0.00 173.10 174.58 2q4n s GLU 48 N -3.90 0.29 0.06 2.90 2.12 -0.69 -1.94 118.70 117.53 2q4n s GLU 48 Ca 0.43 0.36 0.07 0.00 0.36 0.00 0.00 54.97 56.19 2q4n s GLU 48 Cb -0.10 0.14 -0.03 0.00 0.26 0.00 0.00 34.13 34.39 2q4n s GLU 48 CO 0.33 -0.04 -0.20 -2.00 -0.54 0.00 0.00 175.26 172.81 2q4n s GLU 49 N 0.17 1.24 -0.03 4.30 2.12 -0.81 -1.04 118.70 124.64 2q4n s GLU 49 Ca -0.00 -1.00 -0.00 0.00 0.36 0.00 0.00 54.97 54.32 2q4n s GLU 49 Cb -0.02 -1.40 0.03 0.00 0.26 0.00 0.00 34.13 33.00 2q4n s GLU 49 CO 0.00 0.34 0.03 0.42 -0.54 0.00 0.00 175.26 175.51 2q4n s ILE 50 N -0.94 0.02 -0.08 -3.70 1.01 0.41 -0.68 121.20 117.23 2q4n s ILE 50 Ca 0.06 0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.97 2q4n s ILE 50 Cb -0.09 -0.17 -0.02 0.00 0.01 0.00 0.00 42.46 42.19 2q4n s ILE 50 CO 0.03 0.13 -0.17 -0.60 0.00 0.00 0.00 174.94 174.33 2q4n s ARG 51 N 1.34 2.85 -0.09 2.79 3.52 -0.68 -0.71 118.95 127.97 2q4n s ARG 51 Ca -0.05 -0.75 0.02 0.00 -0.13 0.00 0.00 55.73 54.81 2q4n s ARG 51 Cb -0.13 -2.41 -0.02 0.00 -1.56 0.00 0.00 34.95 30.84 2q4n s ARG 51 CO -0.03 0.40 -0.16 -0.06 -0.81 0.00 0.00 175.30 174.64 2q4n s PHE 52 N -0.15 2.70 0.30 5.12 0.08 -0.26 -1.65 117.98 124.12 2q4n s PHE 52 Ca -0.02 -0.55 0.02 0.00 0.12 0.00 0.00 56.93 56.50 2q4n s PHE 52 Cb -0.14 -1.73 -0.02 0.00 -0.57 0.00 0.00 43.02 40.56 2q4n s PHE 52 CO 0.04 -0.12 0.31 -1.12 -0.10 0.00 0.00 175.22 174.23 2q4n s SER 53 N -0.04 1.05 0.24 1.36 0.01 -0.46 -1.97 113.70 113.89 2q4n s SER 53 Ca -0.04 -1.56 -0.20 0.00 1.31 0.00 0.00 55.95 55.45 2q4n s SER 53 Cb -0.14 0.55 0.03 0.00 0.21 0.00 0.00 66.02 66.67 2q4n s SER 53 CO 0.04 -1.09 0.64 -1.38 0.41 0.00 0.00 173.24 171.87 2q4n s HIS 54 N -3.52 -0.21 -0.14 2.43 -3.43 -1.26 -0.09 115.29 109.08 2q4n s HIS 54 Ca 0.37 -0.17 0.18 0.00 -0.80 0.00 0.00 55.06 54.64 2q4n s HIS 54 Cb 0.02 0.58 0.44 0.00 -1.43 0.00 0.00 32.58 32.20 2q4n s HIS 54 CO 0.21 -1.08 1.18 -1.13 -2.00 0.00 0.00 174.74 171.92 2q4n n SER 55 N -0.42 1.80 -0.28 7.38 3.41 -1.26 -4.99 113.62 119.26 2q4n n SER 55 Ca -0.08 -2.82 -0.03 0.00 -0.26 0.00 0.00 58.87 55.68 2q4n n SER 55 Cb 0.61 -0.41 -0.01 0.00 -0.26 0.00 0.00 64.21 64.14 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 -0.33 0.59 4.00 5.00 0.00 -1.26 -4.90 105.19 108.29 2q4n n GLY 56 Ca 0.15 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.54 2.50 -1.30 1.61 -0.14 -1.26 -4.62 119.74 113.99 2q4n s LYS 57 Ca 0.00 -1.53 -0.09 0.00 -1.36 0.00 0.00 55.97 52.99 2q4n s LYS 57 Cb 0.00 -2.62 0.15 0.00 -1.68 0.00 0.00 37.83 33.68 2q4n s LYS 57 CO 0.00 -0.59 2.01 -0.35 -0.76 0.00 0.00 175.35 175.66 2q4n n PRO 58 N -2.01 3.82 -3.64 -1.68 -0.04 -1.26 -4.61 135.00 125.58 2q4n n PRO 58 Ca 0.11 -3.48 -0.05 0.00 -0.04 0.00 0.00 63.50 60.04 2q4n n PRO 58 Cb 0.61 -2.86 -0.07 0.00 -0.04 0.00 0.00 33.50 31.14 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 0.11 0.00 -0.07 0.52 1.01 -1.26 -4.45 120.40 116.26 2q4n s VAL 59 Ca 0.43 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.43 2q4n s VAL 59 Cb 0.12 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 2q4n s VAL 59 CO -0.02 0.00 -0.12 -0.63 0.00 0.00 0.00 175.10 174.33 2q4n s ILE 60 N 0.33 3.20 0.01 2.22 1.01 0.17 -4.65 121.20 123.48 2q4n s ILE 60 Ca 0.03 -0.66 -0.25 0.00 0.00 0.00 0.00 60.65 59.77 2q4n s ILE 60 Cb -0.05 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 2q4n s ILE 60 CO -0.11 0.58 0.76 0.00 0.00 0.00 0.00 174.94 176.17 2q4n s ALA 61 N -0.51 3.35 -0.10 9.38 0.00 0.88 0.10 121.76 134.86 2q4n s ALA 61 Ca 0.07 0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.32 2q4n s ALA 61 Cb -0.12 -3.01 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 2q4n s ALA 61 CO 0.02 0.00 -0.18 -0.47 0.00 0.00 0.00 175.76 175.13 2q4n s TYR 62 N 0.23 2.66 0.03 0.00 5.04 0.47 -1.36 117.35 124.43 2q4n s TYR 62 Ca 0.39 -0.70 0.02 0.00 -2.44 0.00 0.00 57.07 54.34 2q4n s TYR 62 Cb -0.20 -1.74 -0.02 0.00 0.35 0.00 0.00 41.96 40.36 2q4n s TYR 62 CO 0.22 -0.21 -0.07 0.99 -1.34 0.00 0.00 175.55 175.14 2q4n s THR 63 N 0.11 0.47 -0.08 4.34 2.01 -0.66 0.82 115.64 122.65 2q4n s THR 63 Ca -0.09 -0.83 -0.12 0.00 0.31 0.00 0.00 61.69 60.96 2q4n s THR 63 Cb -0.15 -0.51 0.03 0.00 0.01 0.00 0.00 72.50 71.88 2q4n s THR 63 CO 0.06 -0.25 0.31 -1.58 -0.69 0.00 0.00 174.62 172.46 2q4n s GLN 64 N -1.17 0.48 0.08 4.92 -0.44 0.34 -1.68 119.66 122.19 2q4n s GLN 64 Ca -0.07 0.20 -0.01 0.00 -2.50 0.00 0.00 55.36 52.98 2q4n s GLN 64 Cb -0.08 0.22 -0.04 0.00 -1.64 0.00 0.00 33.01 31.48 2q4n s GLN 64 CO 0.00 -0.09 -0.01 -1.59 0.50 0.00 0.00 175.29 174.10 2q4n s LYS 65 N -0.39 0.73 0.09 1.67 -2.85 0.14 -0.99 119.74 118.13 2q4n s LYS 65 Ca -0.05 -1.30 0.03 0.00 -1.00 0.00 0.00 55.97 53.65 2q4n s LYS 65 Cb -0.03 0.16 -0.04 0.00 -2.06 0.00 0.00 37.83 35.86 2q4n s LYS 65 CO 0.02 -0.14 -0.08 0.95 0.10 0.00 0.00 175.35 176.19 2q4n s THR 66 N -3.91 0.78 0.09 3.79 -4.23 -0.44 -1.93 115.64 109.79 2q4n s THR 66 Ca 0.12 -1.63 -0.07 0.00 -1.18 0.00 0.00 61.69 58.94 2q4n s THR 66 Cb 0.08 -1.32 -0.01 0.00 1.34 0.00 0.00 72.50 72.59 2q4n s THR 66 CO -0.06 -0.63 0.15 -1.66 -0.54 0.00 0.00 174.62 171.89 2q4n s TRP 67 N -2.61 0.29 0.21 3.99 -2.14 -0.82 -3.48 118.94 114.38 2q4n s TRP 67 Ca 0.04 -0.73 -0.30 0.00 2.66 0.00 0.00 56.10 57.77 2q4n s TRP 67 Cb -0.02 -0.14 -0.09 0.00 -3.10 0.00 0.00 33.47 30.12 2q4n s TRP 67 CO -0.01 -0.53 1.21 0.21 -2.66 0.00 0.00 176.95 175.16 2q4n s LYS 68 N -3.90 4.49 0.48 3.25 2.47 0.47 -0.38 119.74 126.62 2q4n s LYS 68 Ca 0.08 1.92 0.15 0.00 -1.56 0.00 0.00 55.97 56.55 2q4n s LYS 68 Cb 0.05 -3.21 1.14 0.00 -1.46 0.00 0.00 37.83 34.35 2q4n s LYS 68 CO -0.09 -0.08 2.09 -0.07 0.16 0.00 0.00 175.35 177.36 2q4n h LEU 69 N 4.91 0.04 -3.55 5.43 3.38 -1.91 -1.64 115.31 121.97 2q4n h LEU 69 Ca -0.45 -0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.15 2q4n h LEU 69 Cb 1.21 -0.01 -0.25 0.00 0.09 0.00 0.00 40.66 41.71 2q4n h LEU 69 CO 0.73 0.10 -0.33 -1.84 0.09 0.00 0.00 178.44 177.19 2q4n n GLU 70 N -4.46 2.64 0.00 1.13 0.00 -1.26 -4.57 120.64 114.12 2q4n n GLU 70 Ca -0.02 -3.63 0.00 0.00 0.00 0.00 0.00 57.16 53.51 2q4n n GLU 70 Cb 0.14 -2.04 0.00 0.00 0.00 0.00 0.00 31.44 29.54 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 -0.93 0.00 0.00 -1.84 3.41 -1.22 -5.02 113.62 108.02 2q4n n SER 71 Ca 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 2q4n n SER 71 Cb 0.91 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 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 0.96 3.70 5.00 0.00 -0.62 -5.03 105.19 109.20 2q4n n GLY 72 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2q4n n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q4n n ALA 73 N 0.73 2.28 -0.31 4.61 0.00 -1.25 -4.56 120.51 122.01 2q4n n ALA 73 Ca 0.00 0.35 -0.28 0.00 0.00 0.00 0.00 53.44 53.50 2q4n n ALA 73 Cb 0.00 -2.55 0.27 0.00 0.00 0.00 0.00 19.45 17.17 2q4n n ALA 73 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2q4n n PRO 74 N 5.02 -4.17 -1.42 0.00 -0.02 -1.26 -0.40 135.00 132.76 2q4n n PRO 74 Ca 0.17 -1.23 -0.29 0.00 -2.02 0.00 0.00 63.50 60.14 2q4n n PRO 74 Cb 0.36 -1.89 0.16 0.00 -0.02 0.00 0.00 33.50 32.10 2q4n n PRO 74 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2q4n s HIS 76 N -2.15 2.24 -0.25 6.00 3.76 -1.23 -4.63 115.29 119.04 2q4n s HIS 76 Ca 0.63 0.84 -0.26 0.00 -0.15 0.00 0.00 55.06 56.13 2q4n s HIS 76 Cb -0.13 -3.39 0.08 0.00 1.11 0.00 0.00 32.58 30.26 2q4n s HIS 76 CO 0.55 -2.63 0.80 0.00 -0.85 0.00 0.00 174.74 172.61 2q4n s ALA 77 N -3.20 -1.83 0.22 -1.40 0.00 -1.26 -1.33 121.76 112.96 2q4n s ALA 77 Ca 0.65 1.92 -0.01 0.00 0.00 0.00 0.00 51.96 54.52 2q4n s ALA 77 Cb -0.15 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 2q4n s ALA 77 CO 0.55 -0.32 0.18 -1.83 0.00 0.00 0.00 175.76 174.34 2q4n s GLU 78 N 0.18 1.30 0.30 0.00 -1.05 -0.16 -1.26 118.70 118.02 2q4n s GLU 78 Ca -0.00 -1.65 -0.19 0.00 -0.15 0.00 0.00 54.97 52.98 2q4n s GLU 78 Cb -0.04 0.30 0.03 0.00 -0.44 0.00 0.00 34.13 33.97 2q4n s GLU 78 CO -0.00 -0.45 0.72 -1.54 0.95 0.00 0.00 175.26 174.94 2q4n s SER 79 N -3.17 -0.17 0.00 0.83 1.04 -0.98 0.13 113.70 111.38 2q4n s SER 79 Ca 0.38 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 56.04 2q4n s SER 79 Cb 0.06 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.93 2q4n s SER 79 CO 0.14 -1.42 0.00 0.61 0.98 0.00 0.00 173.24 173.55 2q4n n GLY 80 N -0.47 -0.63 3.57 7.32 0.00 0.24 -1.73 105.19 113.49 2q4n n GLY 80 Ca -0.05 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.81 -0.14 1.61 2.02 -0.82 -0.39 117.35 114.82 2q4n s TYR 81 Ca 0.00 1.84 -0.05 0.00 -0.37 0.00 0.00 57.07 58.49 2q4n s TYR 81 Cb 0.00 0.36 -0.04 0.00 -0.40 0.00 0.00 41.96 41.88 2q4n s TYR 81 CO 0.00 -0.40 0.03 -0.06 -1.57 0.00 0.00 175.55 173.55 2q4n s PHE 82 N 0.78 3.21 -0.50 2.71 0.40 0.28 -1.16 117.98 123.71 2q4n s PHE 82 Ca -0.03 0.09 0.03 0.00 -0.60 0.00 0.00 56.93 56.42 2q4n s PHE 82 Cb -0.05 -1.95 0.15 0.00 0.51 0.00 0.00 43.02 41.68 2q4n s PHE 82 CO -0.06 0.28 0.31 1.03 0.70 0.00 0.00 175.22 177.49 2q4n s ARG 83 N -0.19 1.52 0.48 0.44 0.52 0.17 0.41 118.95 122.31 2q4n s ARG 83 Ca 0.06 -2.35 -0.17 0.00 -0.52 0.00 0.00 55.73 52.76 2q4n s ARG 83 Cb -0.12 -2.49 -0.08 0.00 0.52 0.00 0.00 34.95 32.77 2q4n s ARG 83 CO 0.02 -1.22 0.95 -1.25 0.02 0.00 0.00 175.30 173.82 2q4n s PRO 84 N -0.12 3.98 0.14 3.54 0.04 -1.26 -1.48 135.00 139.84 2q4n s PRO 84 Ca 0.21 0.93 0.05 0.00 0.04 0.00 0.00 61.00 62.24 2q4n s PRO 84 Cb -0.16 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 2q4n s PRO 84 CO -0.06 -0.19 -0.12 1.03 0.04 0.00 0.00 177.00 177.69 2q4n s ARG 85 N -3.85 1.05 0.46 4.56 0.52 0.19 -4.78 118.95 117.10 2q4n s ARG 85 Ca 0.59 -1.33 0.16 0.00 -0.52 0.00 0.00 55.73 54.63 2q4n s ARG 85 Cb -0.10 -0.81 1.08 0.00 0.52 0.00 0.00 34.95 35.65 2q4n s ARG 85 CO 0.28 0.14 2.01 -1.00 0.02 0.00 0.00 175.30 176.74 2q4n h PRO 86 N 3.19 0.00 0.00 3.54 0.13 -1.88 -0.43 132.00 136.56 2q4n h PRO 86 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2q4n h PRO 86 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2q4n h PRO 86 CO 0.56 0.17 0.00 -0.40 -0.23 0.00 0.00 178.00 178.10 2q4n n ASP 87 N -4.22 0.00 0.00 1.44 5.68 -1.26 -4.78 116.55 113.40 2q4n n ASP 87 Ca -0.02 -0.09 0.00 0.00 -0.50 0.00 0.00 54.79 54.18 2q4n n ASP 87 Cb 0.24 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 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 -0.52 0.54 3.80 6.12 0.00 -0.17 -5.02 105.19 109.94 2q4n n GLY 88 Ca 0.05 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.70 6.01 0.19 1.61 1.04 -1.19 -1.86 113.70 116.79 2q4n s SER 89 Ca 0.00 0.35 0.07 0.00 0.48 0.00 0.00 55.95 56.85 2q4n s SER 89 Cb 0.00 -1.89 -0.05 0.00 0.10 0.00 0.00 66.02 64.18 2q4n s SER 89 CO 0.00 0.38 -0.13 -0.51 0.98 0.00 0.00 173.24 173.96 2q4n s ILE 90 N -0.85 1.60 0.01 -1.02 2.07 0.10 0.55 121.20 123.65 2q4n s ILE 90 Ca 0.14 -2.18 0.01 0.00 -1.41 0.00 0.00 60.65 57.21 2q4n s ILE 90 Cb -0.12 -2.00 -0.01 0.00 0.13 0.00 0.00 42.46 40.46 2q4n s ILE 90 CO 0.03 -0.63 -0.05 -1.83 -1.91 0.00 0.00 174.94 170.55 2q4n s GLU 91 N -3.67 0.38 -0.05 3.50 -1.05 -0.55 -1.84 118.70 115.42 2q4n s GLU 91 Ca 0.21 -0.30 0.03 0.00 -0.15 0.00 0.00 54.97 54.76 2q4n s GLU 91 Cb 0.00 -0.31 0.01 0.00 -0.44 0.00 0.00 34.13 33.39 2q4n s GLU 91 CO 0.05 0.08 -0.13 0.08 0.95 0.00 0.00 175.26 176.29 2q4n s VAL 92 N -0.43 1.17 -0.06 1.83 1.01 -0.35 0.44 120.40 124.02 2q4n s VAL 92 Ca -0.02 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.48 2q4n s VAL 92 Cb -0.04 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 2q4n s VAL 92 CO -0.00 0.35 -0.23 0.68 0.00 0.00 0.00 175.10 175.90 2q4n s VAL 93 N 0.37 2.26 -0.02 2.92 -7.23 -0.31 -1.82 120.40 116.57 2q4n s VAL 93 Ca -0.09 -1.00 0.01 0.00 -1.81 0.00 0.00 61.98 59.09 2q4n s VAL 93 Cb -0.13 -1.84 0.01 0.00 0.56 0.00 0.00 36.38 34.99 2q4n s VAL 93 CO 0.03 0.57 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.74 2q4n s ILE 94 N -0.27 0.21 -0.07 -0.62 1.01 -0.70 -1.94 121.20 118.83 2q4n s ILE 94 Ca -0.00 -0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.67 2q4n s ILE 94 Cb -0.13 -0.24 -0.02 0.00 0.01 0.00 0.00 42.46 42.08 2q4n s ILE 94 CO 0.03 0.11 -0.20 0.00 0.00 0.00 0.00 174.94 174.88 2q4n s ALA 95 N 0.48 2.39 0.18 9.38 0.00 -0.70 -0.13 121.76 133.35 2q4n s ALA 95 Ca -0.05 -1.01 0.07 0.00 0.00 0.00 0.00 51.96 50.98 2q4n s ALA 95 Cb -0.08 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 2q4n s ALA 95 CO -0.01 0.44 0.01 -0.65 0.00 0.00 0.00 175.76 175.54 2q4n s GLN 96 N -0.27 2.42 0.52 0.00 -0.21 0.16 -2.31 119.66 119.98 2q4n s GLN 96 Ca 0.00 -1.11 0.22 0.00 0.02 0.00 0.00 55.36 54.50 2q4n s GLN 96 Cb -0.13 -2.36 1.39 0.00 1.00 0.00 0.00 33.01 32.91 2q4n s GLN 96 CO 0.03 0.45 2.12 1.03 -2.12 0.00 0.00 175.29 176.80 2q4n h SER 97 N 2.66 0.00 0.00 5.90 0.87 -1.49 -1.33 113.55 120.16 2q4n h SER 97 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2q4n h SER 97 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2q4n h SER 97 CO 0.58 0.08 0.00 0.35 -0.53 0.00 0.00 176.83 177.31 2q4n n THR 98 N -4.08 0.00 -0.34 2.23 -2.24 -1.26 -4.90 114.28 103.69 2q4n n THR 98 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2q4n n THR 98 Cb 0.17 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 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 0.60 1.33 3.79 3.38 0.00 -0.50 -5.06 105.19 108.72 2q4n n GLY 99 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.03 0.99 1.02 -1.25 -4.71 118.68 118.79 2q4n s LEU 100 Ca 0.00 1.89 0.06 0.00 0.02 0.00 0.00 54.13 56.10 2q4n s LEU 100 Cb 0.00 -4.30 -0.01 0.00 0.02 0.00 0.00 46.19 41.90 2q4n s LEU 100 CO 0.00 -0.42 -0.21 0.68 0.02 0.00 0.00 176.35 176.42 2q4n s VAL 101 N -1.84 1.71 0.07 -1.59 -7.23 -0.33 -0.66 120.40 110.53 2q4n s VAL 101 Ca 0.59 -0.91 0.09 0.00 -1.81 0.00 0.00 61.98 59.95 2q4n s VAL 101 Cb -0.17 -1.43 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 2q4n s VAL 101 CO 0.22 0.48 -0.25 -1.61 -0.31 0.00 0.00 175.10 173.63 2q4n s GLU 102 N -0.35 1.60 -0.17 4.82 2.02 0.82 -0.52 118.70 126.91 2q4n s GLU 102 Ca 0.04 -1.15 0.00 0.00 0.02 0.00 0.00 54.97 53.88 2q4n s GLU 102 Cb -0.10 -1.86 0.04 0.00 0.10 0.00 0.00 34.13 32.31 2q4n s GLU 102 CO 0.00 0.47 -0.10 0.08 0.02 0.00 0.00 175.26 175.73 2q4n s VAL 103 N -0.89 1.45 -0.04 2.63 1.01 0.37 -1.71 120.40 123.21 2q4n s VAL 103 Ca 0.11 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.37 2q4n s VAL 103 Cb -0.10 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 2q4n s VAL 103 CO 0.03 0.23 -0.24 -1.10 0.00 0.00 0.00 175.10 174.02 2q4n s GLN 104 N 1.50 2.38 0.02 2.72 -1.52 -0.76 -0.24 119.66 123.76 2q4n s GLN 104 Ca 0.01 -0.89 -0.01 0.00 -1.95 0.00 0.00 55.36 52.52 2q4n s GLN 104 Cb -0.15 -2.14 -0.02 0.00 -0.22 0.00 0.00 33.01 30.48 2q4n s GLN 104 CO -0.09 0.48 -0.02 0.15 -0.25 0.00 0.00 175.29 175.57 2q4n s LYS 105 N -0.40 0.36 0.00 2.91 1.02 -0.98 -1.21 119.74 121.44 2q4n s LYS 105 Ca 0.04 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.37 2q4n s LYS 105 Cb -0.12 0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.32 2q4n s LYS 105 CO 0.01 -0.06 0.00 0.41 -0.92 0.00 0.00 175.35 174.79 2q4n n GLY 106 N 1.43 -0.76 3.18 -3.33 0.00 -0.77 -2.30 105.19 102.65 2q4n n GLY 106 Ca -0.23 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 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 -4.00 0.30 0.09 2.61 -4.23 -0.95 -0.72 115.64 108.74 2q4n s THR 107 Ca 0.00 -1.93 0.06 0.00 -1.18 0.00 0.00 61.69 58.64 2q4n s THR 107 Cb 0.00 -2.05 -0.03 0.00 1.34 0.00 0.00 72.50 71.76 2q4n s THR 107 CO 0.00 -0.49 -0.17 -0.72 -0.54 0.00 0.00 174.62 172.70 2q4n s TYR 108 N -3.91 1.44 -0.11 3.99 -0.85 -0.78 -0.20 117.35 116.94 2q4n s TYR 108 Ca 0.23 -0.45 0.03 0.00 -0.52 0.00 0.00 57.07 56.37 2q4n s TYR 108 Cb 0.07 -0.79 0.00 0.00 0.38 0.00 0.00 41.96 41.62 2q4n s TYR 108 CO 0.02 0.12 -0.23 1.21 -1.52 0.00 0.00 175.55 175.15 2q4n s ASN 109 N -1.87 3.07 0.21 -0.18 3.84 0.09 -4.81 114.94 115.29 2q4n s ASN 109 Ca 0.02 -0.57 0.26 0.00 0.21 0.00 0.00 52.86 52.78 2q4n s ASN 109 Cb -0.10 -1.41 0.82 0.00 -0.55 0.00 0.00 41.25 40.02 2q4n s ASN 109 CO 0.03 0.13 1.78 0.52 -2.79 0.00 0.00 177.10 176.77 2q4n n VAL 110 N 3.70 0.59 0.49 -5.21 0.31 -1.26 -0.80 118.33 116.15 2q4n n VAL 110 Ca -0.19 -0.27 0.12 0.00 -0.01 0.00 0.00 64.34 63.98 2q4n n VAL 110 Cb 0.52 -0.60 0.25 0.00 -0.91 0.00 0.00 33.84 33.10 2q4n n VAL 110 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2q4n n ASP 111 N -2.25 3.11 0.00 4.52 8.00 -1.26 -4.11 116.55 124.56 2q4n n ASP 111 Ca 0.06 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.61 2q4n n ASP 111 Cb 0.43 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 2q4n n ASP 111 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2q4n n GLU 112 N 1.26 3.71 -3.39 -1.24 1.02 -1.18 -5.03 120.64 115.80 2q4n n GLU 112 Ca 0.19 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 57.13 2q4n n GLU 112 Cb 0.55 -0.38 0.06 0.00 -0.02 0.00 0.00 31.44 31.64 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 -0.16 -1.82 -4.37 3.49 6.02 0.02 -4.61 117.38 115.95 2q4n n GLN 113 Ca 0.00 0.78 -0.18 0.00 -0.01 0.00 0.00 57.00 57.58 2q4n n GLN 113 Cb 0.00 -5.20 -0.10 0.00 1.02 0.00 0.00 30.24 25.96 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 -3.38 1.96 -0.14 1.08 1.04 -1.06 -2.74 113.70 110.47 2q4n s SER 114 Ca 0.42 -1.28 -0.11 0.00 0.48 0.00 0.00 55.95 55.46 2q4n s SER 114 Cb -0.09 -0.01 0.04 0.00 0.10 0.00 0.00 66.02 66.06 2q4n s SER 114 CO 0.78 -0.55 0.36 -0.63 0.98 0.00 0.00 173.24 174.18 2q4n s ILE 115 N -3.40 -0.01 -0.11 -1.02 1.01 -0.90 -0.73 121.20 116.04 2q4n s ILE 115 Ca 0.32 0.04 -0.01 0.00 0.00 0.00 0.00 60.65 61.00 2q4n s ILE 115 Cb 0.07 -0.52 0.03 0.00 0.01 0.00 0.00 42.46 42.05 2q4n s ILE 115 CO 0.11 0.01 -0.05 -0.54 0.00 0.00 0.00 174.94 174.48 2q4n s LYS 116 N 0.58 1.23 -0.00 2.79 1.02 0.73 -0.96 119.74 125.13 2q4n s LYS 116 Ca -0.03 -0.18 0.05 0.00 0.02 0.00 0.00 55.97 55.84 2q4n s LYS 116 Cb -0.05 -1.46 -0.01 0.00 -0.52 0.00 0.00 37.83 35.79 2q4n s LYS 116 CO -0.03 -0.30 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.41 2q4n s LEU 117 N 1.78 2.06 0.04 3.17 1.43 0.10 -2.25 118.68 125.01 2q4n s LEU 117 Ca 0.04 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 2q4n s LEU 117 Cb -0.13 -0.86 -0.02 0.00 0.03 0.00 0.00 46.19 45.21 2q4n s LEU 117 CO -0.07 0.19 -0.08 -0.54 0.23 0.00 0.00 176.35 176.07 2q4n s LYS 118 N -0.54 0.56 0.52 1.70 1.02 -0.97 -0.32 119.74 121.70 2q4n s LYS 118 Ca 0.06 -0.69 -0.20 0.00 0.02 0.00 0.00 55.97 55.16 2q4n s LYS 118 Cb -0.07 -0.39 -0.07 0.00 -0.52 0.00 0.00 37.83 36.79 2q4n s LYS 118 CO -0.00 0.08 1.12 -1.54 -0.92 0.00 0.00 175.35 174.08 2q4n s SER 119 N -1.36 5.92 -0.00 2.83 1.04 0.18 -2.31 113.70 119.99 2q4n s SER 119 Ca -0.07 2.15 0.06 0.00 0.48 0.00 0.00 55.95 58.56 2q4n s SER 119 Cb -0.09 -2.58 -0.07 0.00 0.10 0.00 0.00 66.02 63.38 2q4n s SER 119 CO 0.01 -1.08 0.21 -0.67 0.98 0.00 0.00 173.24 172.68 2q4n n ASP 120 N -1.10 1.45 -3.67 7.02 2.03 0.67 -4.83 116.55 118.11 2q4n n ASP 120 Ca 0.10 -0.41 -0.09 0.00 0.52 0.00 0.00 54.79 54.91 2q4n n ASP 120 Cb 0.51 1.10 -0.09 0.00 -0.72 0.00 0.00 41.12 41.92 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 -2.68 -0.47 -0.23 -2.67 0.20 -0.92 -5.00 118.68 106.91 2q4n s LEU 121 Ca 0.01 1.20 0.01 0.00 0.69 0.00 0.00 54.13 56.03 2q4n s LEU 121 Cb 0.04 1.88 0.06 0.00 -0.43 0.00 0.00 46.19 47.75 2q4n s LEU 121 CO 0.24 -0.21 -0.05 -0.69 -0.29 0.00 0.00 176.35 175.35 2q4n s VAL 122 N 1.33 1.50 -0.02 1.68 1.01 -1.26 -0.48 120.40 124.17 2q4n s VAL 122 Ca -0.08 -1.19 0.01 0.00 0.00 0.00 0.00 61.98 60.71 2q4n s VAL 122 Cb -0.06 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2q4n s VAL 122 CO -0.14 -0.10 0.00 -0.83 0.00 0.00 0.00 175.10 174.04 2q4n s GLY 123 N 1.41 1.87 -0.79 4.51 0.00 0.32 -4.53 107.32 110.12 2q4n s GLY 123 Ca -0.06 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.74 2q4n s GLY 123 CO -0.06 -0.78 0.00 -2.01 0.00 0.00 0.00 173.10 170.25 2q4n n ASN 124 N 1.51 -3.35 -4.82 1.64 5.15 -1.26 -1.18 115.26 112.95 2q4n n ASN 124 Ca -0.15 0.07 -0.36 0.00 -0.60 0.00 0.00 54.58 53.53 2q4n n ASN 124 Cb 0.53 -2.28 -0.07 0.00 -0.53 0.00 0.00 39.78 37.43 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 -2.38 3.79 0.11 5.20 0.00 -1.26 -4.60 121.76 122.60 2q4n s ALA 125 Ca 0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 51.96 51.22 2q4n s ALA 125 Cb 0.00 -2.08 -0.15 0.00 0.00 0.00 0.00 23.12 20.89 2q4n s ALA 125 CO 0.00 0.43 1.31 0.66 0.00 0.00 0.00 175.76 178.15 2q4n h SER 126 N 5.62 0.92 0.00 0.00 4.64 -1.98 -3.43 113.55 119.32 2q4n h SER 126 Ca -0.49 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 60.21 2q4n h SER 126 Cb 1.20 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2q4n h SER 126 CO 0.65 1.41 -0.70 0.29 -0.87 0.00 0.00 176.83 177.61 2q4n n LYS 127 N -3.92 0.37 -1.86 4.77 5.02 -1.26 -5.06 118.16 116.22 2q4n n LYS 127 Ca -0.07 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.81 2q4n n LYS 127 Cb 0.76 -0.85 -0.00 0.00 -0.02 0.00 0.00 35.03 34.91 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 -1.70 2.18 -0.06 -0.18 1.01 -1.26 -4.26 120.40 116.13 2q4n s VAL 128 Ca 0.00 0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.10 2q4n s VAL 128 Cb 0.00 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 2q4n s VAL 128 CO 0.00 0.04 -0.13 0.29 0.00 0.00 0.00 175.10 175.30 2q4n n LYS 129 N 0.48 0.21 -4.52 2.72 4.76 0.13 -4.81 118.16 117.12 2q4n n LYS 129 Ca 0.01 0.09 -0.21 0.00 -2.87 0.00 0.00 58.31 55.33 2q4n n LYS 129 Cb 0.40 -0.85 -0.15 0.00 -1.84 0.00 0.00 35.03 32.58 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 -2.25 0.96 -0.08 1.97 8.01 -1.23 -4.53 118.70 121.55 2q4n s GLU 130 Ca -0.13 -0.42 0.04 0.00 0.01 0.00 0.00 54.97 54.48 2q4n s GLU 130 Cb 0.04 -0.92 -0.01 0.00 -4.31 0.00 0.00 34.13 28.92 2q4n s GLU 130 CO 0.17 0.25 -0.20 0.42 0.01 0.00 0.00 175.26 175.90 2q4n s ILE 131 N -0.25 2.45 0.14 -1.63 1.01 -1.26 0.15 121.20 121.80 2q4n s ILE 131 Ca 0.04 -0.91 0.11 0.00 0.00 0.00 0.00 60.65 59.88 2q4n s ILE 131 Cb -0.05 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 2q4n s ILE 131 CO -0.00 0.56 -0.25 -0.55 0.00 0.00 0.00 174.94 174.70 2q4n s SER 132 N -0.07 3.20 -0.05 3.58 0.15 0.11 0.49 113.70 121.12 2q4n s SER 132 Ca -0.05 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 55.83 2q4n s SER 132 Cb -0.14 -0.21 0.03 0.00 -1.71 0.00 0.00 66.02 63.98 2q4n s SER 132 CO 0.04 0.14 -0.01 -0.13 1.20 0.00 0.00 173.24 174.48 2q4n s ARG 133 N -2.18 0.54 -0.17 5.44 0.52 0.56 -1.68 118.95 121.97 2q4n s ARG 133 Ca 0.14 0.04 0.01 0.00 -0.52 0.00 0.00 55.73 55.40 2q4n s ARG 133 Cb -0.09 -0.73 0.02 0.00 0.52 0.00 0.00 34.95 34.67 2q4n s ARG 133 CO 0.06 -0.17 -0.20 -1.21 0.02 0.00 0.00 175.30 173.80 2q4n s GLU 134 N 1.29 2.97 0.04 3.54 2.02 -0.73 -0.00 118.70 127.82 2q4n s GLU 134 Ca -0.06 -0.82 0.04 0.00 0.02 0.00 0.00 54.97 54.15 2q4n s GLU 134 Cb -0.13 -2.52 -0.04 0.00 0.10 0.00 0.00 34.13 31.54 2q4n s GLU 134 CO -0.02 -0.17 -0.04 -0.06 0.02 0.00 0.00 175.26 174.99 2q4n s PHE 135 N 1.20 2.94 -0.10 1.61 0.40 -0.13 -1.60 117.98 122.30 2q4n s PHE 135 Ca 0.02 -0.02 -0.05 0.00 -0.60 0.00 0.00 56.93 56.28 2q4n s PHE 135 Cb -0.14 -1.58 0.05 0.00 0.51 0.00 0.00 43.02 41.86 2q4n s PHE 135 CO -0.11 0.43 0.24 -2.00 0.70 0.00 0.00 175.22 174.49 2q4n s GLU 136 N -1.81 0.19 -0.26 0.44 2.12 -0.61 -2.12 118.70 116.66 2q4n s GLU 136 Ca 0.21 0.54 -0.26 0.00 0.36 0.00 0.00 54.97 55.82 2q4n s GLU 136 Cb -0.11 -0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.16 2q4n s GLU 136 CO 0.12 -0.17 0.89 -1.17 -0.54 0.00 0.00 175.26 174.38 2q4n s LEU 137 N 1.36 4.07 -0.22 2.70 2.96 -1.11 -0.25 118.68 128.20 2q4n s LEU 137 Ca -0.08 1.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.90 2q4n s LEU 137 Cb -0.11 -3.27 0.04 0.00 0.50 0.00 0.00 46.19 43.35 2q4n s LEU 137 CO -0.08 -0.59 -0.13 0.68 -1.32 0.00 0.00 176.35 174.90 2q4n s VAL 138 N 3.00 1.95 -1.48 1.68 -7.23 0.15 -4.63 120.40 113.84 2q4n s VAL 138 Ca 0.37 -1.22 -0.14 0.00 -1.81 0.00 0.00 61.98 59.18 2q4n s VAL 138 Cb -0.15 -1.96 0.11 0.00 0.56 0.00 0.00 36.38 34.94 2q4n s VAL 138 CO 0.08 0.20 0.68 -0.67 -0.31 0.00 0.00 175.10 175.08 2q4n n ASP 139 N 4.57 -3.63 0.00 4.85 2.03 -1.26 -0.37 116.55 122.74 2q4n n ASP 139 Ca -0.16 -0.70 0.00 0.00 0.52 0.00 0.00 54.79 54.45 2q4n n ASP 139 Cb 0.46 -2.98 0.00 0.00 -0.72 0.00 0.00 41.12 37.88 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 -1.31 0.78 3.86 0.27 0.00 -1.26 -5.04 105.19 102.49 2q4n n GLY 140 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.10 3.20 -0.35 1.61 1.02 0.50 -4.48 119.74 121.15 2q4n s LYS 141 Ca 0.00 -0.54 -0.17 0.00 0.02 0.00 0.00 55.97 55.28 2q4n s LYS 141 Cb 0.00 -2.91 -0.01 0.00 -0.52 0.00 0.00 37.83 34.39 2q4n s LYS 141 CO 0.00 0.59 0.44 -1.17 -0.92 0.00 0.00 175.35 174.30 2q4n s LEU 142 N -2.43 4.40 0.11 3.17 2.96 0.34 -0.68 118.68 126.55 2q4n s LEU 142 Ca 0.32 -0.14 0.04 0.00 -0.22 0.00 0.00 54.13 54.13 2q4n s LEU 142 Cb -0.13 -2.47 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 2q4n s LEU 142 CO 0.25 -0.42 0.10 -0.55 -1.32 0.00 0.00 176.35 174.41 2q4n s SER 143 N 1.75 5.54 0.11 3.68 0.15 0.65 -0.45 113.70 125.13 2q4n s SER 143 Ca 0.15 -0.04 -0.15 0.00 0.70 0.00 0.00 55.95 56.61 2q4n s SER 143 Cb -0.16 -1.48 0.03 0.00 -1.71 0.00 0.00 66.02 62.70 2q4n s SER 143 CO 0.13 0.14 0.37 -0.72 1.20 0.00 0.00 173.24 174.36 2q4n s TYR 144 N -1.51 -0.16 -0.13 3.44 -0.85 0.25 -1.57 117.35 116.82 2q4n s TYR 144 Ca 0.30 -0.13 0.02 0.00 -0.52 0.00 0.00 57.07 56.74 2q4n s TYR 144 Cb -0.11 0.21 0.00 0.00 0.38 0.00 0.00 41.96 42.44 2q4n s TYR 144 CO 0.23 -0.66 -0.20 0.08 -1.52 0.00 0.00 175.55 173.47 2q4n s VAL 145 N -3.62 2.31 -0.18 -3.49 1.01 -0.62 -0.61 120.40 115.19 2q4n s VAL 145 Ca 0.02 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 2q4n s VAL 145 Cb 0.02 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 2q4n s VAL 145 CO -0.11 0.54 -0.10 -0.69 0.00 0.00 0.00 175.10 174.75 2q4n s VAL 146 N 0.63 3.02 0.52 2.92 1.01 0.08 -1.77 120.40 126.81 2q4n s VAL 146 Ca -0.11 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.26 2q4n s VAL 146 Cb -0.16 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.91 2q4n s VAL 146 CO 0.03 0.48 0.12 0.54 0.00 0.00 0.00 175.10 176.26 2q4n n ARG 147 N 4.36 0.73 -3.94 2.72 1.74 -0.68 -0.22 116.66 121.38 2q4n n ARG 147 Ca -0.19 -3.66 -0.09 0.00 -0.77 0.00 0.00 57.85 53.15 2q4n n ARG 147 Cb 0.51 0.81 -0.08 0.00 -1.02 0.00 0.00 32.46 32.69 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 -3.94 0.19 0.24 0.55 1.04 0.12 0.09 113.70 112.00 2q4n s SER 149 Ca 0.09 -0.79 0.01 0.00 0.48 0.00 0.00 55.95 55.74 2q4n s SER 149 Cb -0.01 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 2q4n s SER 149 CO 0.06 -0.73 0.14 0.42 0.98 0.00 0.00 173.24 174.11 2q4n s THR 150 N -3.90 0.17 0.28 2.02 -4.23 -0.41 -0.70 115.64 108.87 2q4n s THR 150 Ca 0.08 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.65 2q4n s THR 150 Cb 0.05 -2.53 0.36 0.00 1.34 0.00 0.00 72.50 71.72 2q4n s THR 150 CO -0.08 0.00 1.38 0.41 -0.54 0.00 0.00 174.62 175.79 2q4n n THR 151 N -0.40 -0.37 0.21 3.99 -1.04 -1.26 -2.80 114.28 112.62 2q4n n THR 151 Ca 0.02 1.90 0.02 0.00 -2.04 0.00 0.00 64.05 63.96 2q4n n THR 151 Cb 0.65 -2.84 0.00 0.00 -1.82 0.00 0.00 70.33 66.33 2q4n n THR 151 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2q4n n THR 152 N -5.22 0.00 -3.34 12.58 -2.24 -1.26 -4.94 114.28 109.87 2q4n n THR 152 Ca 0.23 -0.46 -0.45 0.00 -2.27 0.00 0.00 64.05 61.10 2q4n n THR 152 Cb 0.77 1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 70.01 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 -0.79 6.16 0.74 3.42 0.02 -1.12 -5.07 114.94 118.30 2q4n s ASN 153 Ca 0.04 -1.69 -0.14 0.00 -1.02 0.00 0.00 52.86 50.05 2q4n s ASN 153 Cb 0.04 -2.20 0.04 0.00 0.02 0.00 0.00 41.25 39.16 2q4n s ASN 153 CO 0.11 -0.81 1.16 -2.84 0.02 0.00 0.00 177.10 174.75 2q4n s PRO 154 N 1.60 2.17 -0.31 -0.60 0.02 -1.26 -1.29 135.00 135.33 2q4n s PRO 154 Ca 0.03 1.59 -0.38 0.00 0.02 0.00 0.00 61.00 62.26 2q4n s PRO 154 Cb -0.29 -1.86 -0.17 0.00 0.02 0.00 0.00 34.50 32.21 2q4n s PRO 154 CO 0.04 -1.77 1.22 -0.11 -0.33 0.00 0.00 177.00 176.04 2q4n n LEU 155 N -2.90 0.74 -3.82 -5.54 7.94 -1.26 -4.73 117.00 107.42 2q4n n LEU 155 Ca 0.12 0.99 -0.08 0.00 -1.11 0.00 0.00 56.01 55.93 2q4n n LEU 155 Cb 0.51 -0.74 -0.03 0.00 0.53 0.00 0.00 43.42 43.69 2q4n n LEU 155 CO 0.48 -0.94 0.40 0.00 -1.11 0.00 0.00 177.39 176.22 2q4n s GLN 156 N 1.84 1.65 0.31 1.96 -2.07 -1.26 -4.98 119.66 117.12 2q4n s GLN 156 Ca 0.85 -0.96 -0.29 0.00 -1.82 0.00 0.00 55.36 53.14 2q4n s GLN 156 Cb -1.20 0.58 -0.13 0.00 -1.09 0.00 0.00 33.01 31.17 2q4n s GLN 156 CO 0.63 -0.74 1.34 -2.30 -1.32 0.00 0.00 175.29 172.90 2q4n n PRO 157 N -0.43 2.14 0.10 9.60 -0.02 -1.26 -4.39 135.00 140.74 2q4n n PRO 157 Ca -0.06 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2q4n n PRO 157 Cb 0.60 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 0.84 -1.46 -4.39 6.00 -0.00 -0.97 -4.79 115.22 110.45 2q4n n HIS 158 Ca 0.07 0.26 -0.23 0.00 0.46 0.00 0.00 57.72 58.27 2q4n n HIS 158 Cb 0.35 0.36 -0.13 0.00 -0.12 0.00 0.00 29.99 30.44 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 -6.86 2.24 -0.05 0.27 1.43 0.70 -1.35 118.68 115.06 2q4n s LEU 159 Ca 0.00 -0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 2q4n s LEU 159 Cb 0.00 -0.85 0.02 0.00 0.03 0.00 0.00 46.19 45.39 2q4n s LEU 159 CO 0.00 0.07 0.26 -1.59 0.23 0.00 0.00 176.35 175.32 2q4n s LYS 160 N -1.60 0.48 0.14 1.70 -2.85 -0.72 -0.74 119.74 116.15 2q4n s LYS 160 Ca 0.05 0.02 -0.18 0.00 -1.00 0.00 0.00 55.97 54.86 2q4n s LYS 160 Cb -0.09 0.21 0.04 0.00 -2.06 0.00 0.00 37.83 35.93 2q4n s LYS 160 CO 0.03 -0.10 0.47 0.00 0.10 0.00 0.00 175.35 175.85 2q4n s ALA 161 N -0.68 -1.13 -0.04 0.59 0.00 0.22 -1.28 121.76 119.44 2q4n s ALA 161 Ca -0.08 0.09 0.02 0.00 0.00 0.00 0.00 51.96 51.99 2q4n s ALA 161 Cb -0.04 0.77 0.01 0.00 0.00 0.00 0.00 23.12 23.86 2q4n s ALA 161 CO 0.02 -0.70 -0.07 0.42 0.00 0.00 0.00 175.76 175.43 2q4n s ILE 162 N -3.80 0.71 -0.04 0.00 1.01 -1.01 0.87 121.20 118.94 2q4n s ILE 162 Ca 0.03 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.45 2q4n s ILE 162 Cb 0.01 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.80 2q4n s ILE 162 CO -0.11 0.25 -0.12 -0.76 0.00 0.00 0.00 174.94 174.20 2q4n s LEU 163 N 0.63 1.76 0.25 2.97 1.02 0.40 -2.79 118.68 122.92 2q4n s LEU 163 Ca -0.10 -0.26 -0.20 0.00 0.02 0.00 0.00 54.13 53.59 2q4n s LEU 163 Cb -0.13 -0.73 -0.09 0.00 0.02 0.00 0.00 46.19 45.27 2q4n s LEU 163 CO 0.01 0.08 0.76 -1.81 0.02 0.00 0.00 176.35 175.41 2q4n s ASP 164 N 0.30 7.07 0.25 2.29 1.01 -0.51 0.13 116.67 127.21 2q4n s ASP 164 Ca -0.06 1.47 -0.30 0.00 0.71 0.00 0.00 52.55 54.37 2q4n s ASP 164 Cb -0.11 -2.44 -0.09 0.00 1.01 0.00 0.00 42.92 41.29 2q4n s ASP 164 CO 0.02 -0.01 1.13 -0.75 0.21 0.00 0.00 175.17 175.77 2q4n s LYS 165 N -2.08 4.59 0.00 8.23 2.20 -1.26 0.28 119.74 131.70 2q4n s LYS 165 Ca 0.45 1.83 0.26 0.00 -0.36 0.00 0.00 55.97 58.15 2q4n s LYS 165 Cb -0.16 -3.20 0.65 0.00 -1.51 0.00 0.00 37.83 33.61 2q4n s LYS 165 CO 0.21 0.11 1.52 1.28 -0.36 0.00 0.00 175.35 178.11