#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 4.02 -0.01 0.52 0.04 -1.26 -4.78 135.00 133.54 2q4n s PRO 15 Ca 0.00 1.77 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 2q4n s PRO 15 Cb 0.00 -2.61 -0.05 0.00 0.04 0.00 0.00 34.50 31.88 2q4n s PRO 15 CO 0.00 -0.33 1.28 0.08 0.04 0.00 0.00 177.00 178.07 2q4n s VAL 16 N -1.47 3.99 0.53 -0.36 1.01 -1.26 -4.13 120.40 118.71 2q4n s VAL 16 Ca 0.58 1.37 -0.22 0.00 0.00 0.00 0.00 61.98 63.71 2q4n s VAL 16 Cb -0.29 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 2q4n s VAL 16 CO 0.36 0.02 1.26 1.57 0.00 0.00 0.00 175.10 178.31 2q4n n HIS 17 N 4.96 1.96 0.28 5.22 -0.00 -1.26 -4.79 115.22 121.60 2q4n n HIS 17 Ca 0.11 0.45 0.16 0.00 0.46 0.00 0.00 57.72 58.90 2q4n n HIS 17 Cb 0.45 -2.32 0.84 0.00 -0.12 0.00 0.00 29.99 28.84 2q4n n HIS 17 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2q4n h PRO 18 N 1.35 0.00 0.00 1.57 0.13 -1.94 -1.52 132.00 131.59 2q4n h PRO 18 Ca -0.50 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.55 2q4n h PRO 18 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2q4n h PRO 18 CO 0.56 0.07 -0.39 0.74 -0.23 0.00 0.00 178.00 178.75 2q4n h PHE 19 N 0.00 0.00 0.09 1.56 -1.00 -1.90 -3.23 116.94 112.46 2q4n h PHE 19 Ca -0.00 0.00 -0.30 0.00 2.81 0.00 0.00 57.97 60.48 2q4n h PHE 19 Cb 0.27 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.82 2q4n h PHE 19 CO 0.00 0.39 -1.54 0.28 -1.61 0.00 0.00 178.31 175.83 2q4n h VAL 20 N 0.00 1.13 -0.97 -0.55 2.07 -1.63 -3.39 116.25 112.90 2q4n h VAL 20 Ca -0.00 -2.81 0.29 0.00 0.82 0.00 0.00 66.70 65.00 2q4n h VAL 20 Cb 0.91 2.71 -0.14 0.00 -1.52 0.00 0.00 31.29 33.24 2q4n h VAL 20 CO 0.05 0.79 0.47 0.00 0.02 0.00 0.00 177.57 178.91 2q4n h ALA 21 N 0.57 1.74 0.00 1.67 0.00 -1.44 0.32 119.26 122.13 2q4n h ALA 21 Ca -0.24 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2q4n h ALA 21 Cb 2.00 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.97 2q4n h ALA 21 CO 0.14 -0.51 -0.10 -1.35 0.00 0.00 0.00 179.25 177.43 2q4n h PRO 22 N 0.32 0.00 -0.59 0.00 0.11 -1.76 -1.14 132.00 128.93 2q4n h PRO 22 Ca 0.67 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.77 2q4n h PRO 22 Cb 1.46 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.57 2q4n h PRO 22 CO -0.61 0.10 0.01 1.28 -0.21 0.00 0.00 178.00 178.57 2q4n n LEU 23 N -3.88 5.73 0.29 2.35 4.77 0.08 -4.66 117.00 121.68 2q4n n LEU 23 Ca -0.02 -2.91 0.18 0.00 -0.03 0.00 0.00 56.01 53.22 2q4n n LEU 23 Cb 0.20 -0.69 0.85 0.00 -2.33 0.00 0.00 43.42 41.45 2q4n n LEU 23 CO 0.31 0.63 1.04 0.77 -1.33 0.00 0.00 177.39 178.81 2q4n h SER 24 N 3.93 0.00 0.38 -1.43 4.64 -0.96 -1.82 113.55 118.29 2q4n h SER 24 Ca 0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2q4n h SER 24 Cb 1.99 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.08 2q4n h SER 24 CO 0.50 0.03 -0.04 0.10 -0.87 0.00 0.00 176.83 176.56 2q4n h TYR 25 N 0.00 0.00 -0.02 4.77 -0.00 -1.83 -2.19 116.97 117.71 2q4n h TYR 25 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.64 2q4n h TYR 25 Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.05 2q4n h TYR 25 CO 0.00 0.04 -0.42 -0.07 -0.00 0.00 0.00 178.16 177.71 2q4n h LEU 26 N 0.00 0.04 -9.41 0.10 3.38 -1.71 -3.45 115.31 104.26 2q4n h LEU 26 Ca -0.00 -0.01 -0.53 0.00 0.09 0.00 0.00 57.88 57.42 2q4n h LEU 26 Cb 0.24 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.00 2q4n h LEU 26 CO 0.00 0.46 1.08 -0.76 0.09 0.00 0.00 178.44 179.31 2q4n s LEU 27 N -8.10 4.38 0.00 1.67 1.43 -0.82 -4.33 118.68 112.91 2q4n s LEU 27 Ca -0.03 2.53 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 2q4n s LEU 27 Cb 0.14 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.81 2q4n s LEU 27 CO 0.74 -0.95 0.00 0.61 0.23 0.00 0.00 176.35 176.98 2q4n n GLY 28 N 4.17 0.75 3.40 -3.19 0.00 -0.49 -4.95 105.19 104.87 2q4n n GLY 28 Ca 0.17 -2.04 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.48 2.41 0.04 2.61 2.01 -1.26 -0.51 115.64 119.46 2q4n s THR 29 Ca 0.00 -1.38 0.04 0.00 0.31 0.00 0.00 61.69 60.66 2q4n s THR 29 Cb 0.00 -1.99 -0.02 0.00 0.01 0.00 0.00 72.50 70.49 2q4n s THR 29 CO 0.00 0.30 -0.12 0.26 -0.69 0.00 0.00 174.62 174.38 2q4n s TRP 30 N -0.90 1.04 -0.05 4.92 0.52 0.11 -0.54 118.94 124.04 2q4n s TRP 30 Ca 0.13 -0.36 -0.04 0.00 0.02 0.00 0.00 56.10 55.85 2q4n s TRP 30 Cb -0.10 -0.62 0.02 0.00 -1.15 0.00 0.00 33.47 31.62 2q4n s TRP 30 CO 0.04 0.01 0.12 0.50 0.02 0.00 0.00 176.95 177.64 2q4n s ARG 31 N -1.16 0.13 0.00 4.98 3.52 0.04 -1.02 118.95 125.43 2q4n s ARG 31 Ca -0.01 0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.80 2q4n s ARG 31 Cb -0.08 0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.33 2q4n s ARG 31 CO 0.01 -0.05 0.00 0.41 -0.81 0.00 0.00 175.30 174.86 2q4n n GLY 32 N 3.27 1.34 3.34 8.12 0.00 -0.73 -1.85 105.19 118.69 2q4n n GLY 32 Ca -0.15 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 3.63 1.12 0.00 1.61 -2.07 -1.03 -1.90 119.66 121.02 2q4n s GLN 33 Ca 0.00 -1.02 0.00 0.00 -1.82 0.00 0.00 55.36 52.52 2q4n s GLN 33 Cb 0.00 0.41 0.00 0.00 -1.09 0.00 0.00 33.01 32.33 2q4n s GLN 33 CO 0.00 -0.42 0.00 0.41 -1.32 0.00 0.00 175.29 173.96 2q4n n GLY 34 N -0.21 3.19 3.10 2.60 0.00 -1.19 -2.03 105.19 110.65 2q4n n GLY 34 Ca -0.10 -1.35 -0.11 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.76 0.49 -0.04 1.61 2.02 -0.38 -3.89 118.70 116.75 2q4n s GLU 35 Ca 0.00 -0.48 -0.03 0.00 0.02 0.00 0.00 54.97 54.47 2q4n s GLU 35 Cb 0.00 0.20 0.01 0.00 0.10 0.00 0.00 34.13 34.44 2q4n s GLU 35 CO 0.00 -0.11 0.10 0.20 0.02 0.00 0.00 175.26 175.47 2q4n s GLY 36 N -1.53 -0.07 -0.01 -1.39 0.00 -0.80 -2.00 107.32 101.53 2q4n s GLY 36 Ca -0.13 0.31 -0.29 0.00 0.00 0.00 0.00 44.72 44.60 2q4n s GLY 36 CO 0.00 0.31 0.68 -1.83 0.00 0.00 0.00 173.10 172.26 2q4n s GLU 37 N 0.17 1.08 -0.09 2.90 -1.05 -0.76 -1.66 118.70 119.29 2q4n s GLU 37 Ca -0.01 0.11 -0.19 0.00 -0.15 0.00 0.00 54.97 54.73 2q4n s GLU 37 Cb -0.02 0.51 0.04 0.00 -0.44 0.00 0.00 34.13 34.22 2q4n s GLU 37 CO -0.00 -0.37 0.47 -0.47 0.95 0.00 0.00 175.26 175.84 2q4n s TYR 38 N -1.68 -0.43 0.23 4.83 5.04 -1.26 -4.20 117.35 119.88 2q4n s TYR 38 Ca -0.08 0.88 0.14 0.00 -2.44 0.00 0.00 57.07 55.57 2q4n s TYR 38 Cb -0.00 0.20 0.76 0.00 0.35 0.00 0.00 41.96 43.27 2q4n s TYR 38 CO 0.05 -0.39 1.33 -1.35 -1.34 0.00 0.00 175.55 173.85 2q4n h PRO 39 N 4.26 0.00 -0.14 4.97 0.11 -2.02 0.79 132.00 139.97 2q4n h PRO 39 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 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 0.32 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.36 2q4n n THR 40 N -2.21 0.29 -4.23 -1.15 -2.24 -1.26 -5.04 114.28 98.44 2q4n n THR 40 Ca -0.01 -0.65 -0.13 0.00 -2.27 0.00 0.00 64.05 61.00 2q4n n THR 40 Cb 0.43 1.06 -0.10 0.00 -2.10 0.00 0.00 70.33 69.62 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 -1.12 0.31 0.12 2.28 -4.36 0.27 -5.14 121.20 113.56 2q4n s ILE 41 Ca 0.20 -1.97 -0.19 0.00 -0.26 0.00 0.00 60.65 58.43 2q4n s ILE 41 Cb 0.13 -2.35 -0.07 0.00 1.25 0.00 0.00 42.46 41.41 2q4n s ILE 41 CO 0.18 -0.20 0.61 -2.16 0.24 0.00 0.00 174.94 173.60 2q4n s PRO 42 N -4.05 4.20 0.72 0.37 0.04 -1.26 -4.44 135.00 130.57 2q4n s PRO 42 Ca 0.32 0.74 -0.16 0.00 0.04 0.00 0.00 61.00 61.95 2q4n s PRO 42 Cb 0.07 -3.12 0.02 0.00 0.04 0.00 0.00 34.50 31.51 2q4n s PRO 42 CO 0.08 0.56 1.17 -1.13 0.04 0.00 0.00 177.00 177.73 2q4n n SER 43 N 1.37 1.30 -3.74 6.66 3.41 -1.26 -4.88 113.62 116.48 2q4n n SER 43 Ca -0.08 0.71 -0.10 0.00 -0.26 0.00 0.00 58.87 59.14 2q4n n SER 43 Cb 0.51 -1.50 -0.05 0.00 -0.26 0.00 0.00 64.21 62.91 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 -1.74 -0.05 -0.03 7.33 -0.71 -0.67 -5.04 117.98 117.09 2q4n s PHE 44 Ca 0.77 -0.30 0.04 0.00 -1.04 0.00 0.00 56.93 56.40 2q4n s PHE 44 Cb -0.34 0.21 -0.00 0.00 -1.21 0.00 0.00 43.02 41.68 2q4n s PHE 44 CO 0.46 -0.75 -0.13 1.03 -1.34 0.00 0.00 175.22 174.49 2q4n s ARG 45 N -3.86 1.33 0.18 1.99 0.52 -1.26 -1.90 118.95 115.96 2q4n s ARG 45 Ca 0.07 -0.47 0.02 0.00 -0.52 0.00 0.00 55.73 54.82 2q4n s ARG 45 Cb 0.02 -1.21 -0.05 0.00 0.52 0.00 0.00 34.95 34.23 2q4n s ARG 45 CO -0.07 0.21 0.02 1.52 0.02 0.00 0.00 175.30 176.99 2q4n s TYR 46 N 0.01 1.24 0.63 -0.53 1.13 -1.25 -4.56 117.35 114.02 2q4n s TYR 46 Ca -0.01 -1.05 0.01 0.00 -1.41 0.00 0.00 57.07 54.60 2q4n s TYR 46 Cb -0.09 -0.71 0.08 0.00 -1.10 0.00 0.00 41.96 40.14 2q4n s TYR 46 CO 0.01 -0.25 0.88 0.20 -2.51 0.00 0.00 175.55 173.88 2q4n s GLY 47 N -3.19 1.79 -0.10 5.49 0.00 0.23 -3.20 107.32 108.35 2q4n s GLY 47 Ca 0.26 -1.53 -0.30 0.00 0.00 0.00 0.00 44.72 43.15 2q4n s GLY 47 CO 0.05 -1.11 0.81 1.85 0.00 0.00 0.00 173.10 174.71 2q4n s GLU 48 N -4.94 0.86 0.02 2.90 2.12 -0.80 -2.81 118.70 116.06 2q4n s GLU 48 Ca 0.61 0.24 0.01 0.00 0.36 0.00 0.00 54.97 56.19 2q4n s GLU 48 Cb -0.08 0.41 -0.02 0.00 0.26 0.00 0.00 34.13 34.70 2q4n s GLU 48 CO 0.41 -0.26 -0.05 -2.00 -0.54 0.00 0.00 175.26 172.82 2q4n s GLU 49 N -1.10 0.37 -0.00 4.30 2.12 0.41 -1.77 118.70 123.02 2q4n s GLU 49 Ca -0.07 -0.55 0.01 0.00 0.36 0.00 0.00 54.97 54.72 2q4n s GLU 49 Cb -0.00 -0.11 -0.00 0.00 0.26 0.00 0.00 34.13 34.27 2q4n s GLU 49 CO 0.06 0.01 -0.02 0.42 -0.54 0.00 0.00 175.26 175.19 2q4n s ILE 50 N -1.11 0.15 -0.20 -3.70 1.01 -0.19 -1.87 121.20 115.29 2q4n s ILE 50 Ca -0.10 -0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.45 2q4n s ILE 50 Cb -0.08 -0.14 0.04 0.00 0.01 0.00 0.00 42.46 42.29 2q4n s ILE 50 CO -0.00 0.02 -0.14 -0.60 0.00 0.00 0.00 174.94 174.22 2q4n s ARG 51 N -0.10 2.41 -0.12 2.79 3.52 0.98 0.05 118.95 128.49 2q4n s ARG 51 Ca 0.00 -0.90 -0.07 0.00 -0.13 0.00 0.00 55.73 54.64 2q4n s ARG 51 Cb -0.01 -2.51 -0.04 0.00 -1.56 0.00 0.00 34.95 30.83 2q4n s ARG 51 CO -0.00 -0.36 0.14 -0.06 -0.81 0.00 0.00 175.30 174.21 2q4n s PHE 52 N 1.32 3.59 0.25 5.12 0.08 0.33 -2.40 117.98 126.28 2q4n s PHE 52 Ca 0.00 0.52 -0.13 0.00 0.12 0.00 0.00 56.93 57.45 2q4n s PHE 52 Cb -0.15 -1.94 -0.00 0.00 -0.57 0.00 0.00 43.02 40.35 2q4n s PHE 52 CO -0.09 0.73 0.49 -1.54 -0.10 0.00 0.00 175.22 174.70 2q4n s SER 53 N -1.00 -0.06 0.31 1.36 1.04 -0.87 -1.39 113.70 113.09 2q4n s SER 53 Ca 0.15 -0.94 -0.09 0.00 0.48 0.00 0.00 55.95 55.54 2q4n s SER 53 Cb -0.12 0.60 0.01 0.00 0.10 0.00 0.00 66.02 66.61 2q4n s SER 53 CO 0.04 -1.16 0.54 -1.38 0.98 0.00 0.00 173.24 172.25 2q4n s HIS 54 N -3.95 0.60 -0.01 5.02 -3.43 -1.26 0.51 115.29 112.76 2q4n s HIS 54 Ca 0.22 -0.96 0.07 0.00 -0.80 0.00 0.00 55.06 53.59 2q4n s HIS 54 Cb -0.01 0.20 0.12 0.00 -1.43 0.00 0.00 32.58 31.47 2q4n s HIS 54 CO 0.09 -1.16 1.05 -1.13 -2.00 0.00 0.00 174.74 171.60 2q4n n SER 55 N -0.98 0.35 0.00 7.38 3.41 -1.26 -4.90 113.62 117.61 2q4n n SER 55 Ca -0.02 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 2q4n n SER 55 Cb 0.61 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 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 0.07 1.40 3.93 5.00 0.00 -1.26 -4.90 105.19 109.44 2q4n n GLY 56 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.58 1.69 0.00 1.61 -0.14 -1.26 -4.16 119.74 116.89 2q4n s LYS 57 Ca 0.00 -0.24 -0.05 0.00 -1.36 0.00 0.00 55.97 54.31 2q4n s LYS 57 Cb 0.00 -2.03 -0.23 0.00 -1.68 0.00 0.00 37.83 33.88 2q4n s LYS 57 CO 0.00 -1.66 3.24 -0.35 -0.76 0.00 0.00 175.35 175.81 2q4n n PRO 58 N -3.25 1.75 -3.79 -1.68 -0.04 -1.26 -4.53 135.00 122.19 2q4n n PRO 58 Ca 0.10 -0.87 -0.13 0.00 -0.04 0.00 0.00 63.50 62.56 2q4n n PRO 58 Cb 0.60 -1.93 -0.14 0.00 -0.04 0.00 0.00 33.50 31.99 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 1.23 -0.03 -0.15 0.52 1.01 -1.26 -4.31 120.40 117.42 2q4n s VAL 59 Ca 0.58 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.64 2q4n s VAL 59 Cb 0.28 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 36.46 2q4n s VAL 59 CO 0.00 0.04 -0.08 -0.63 0.00 0.00 0.00 175.10 174.43 2q4n s ILE 60 N 0.62 3.53 0.29 2.22 1.01 -1.12 -4.42 121.20 123.33 2q4n s ILE 60 Ca -0.05 -0.49 -0.22 0.00 0.00 0.00 0.00 60.65 59.90 2q4n s ILE 60 Cb -0.06 -2.53 -0.09 0.00 0.01 0.00 0.00 42.46 39.79 2q4n s ILE 60 CO -0.03 0.50 0.83 0.00 0.00 0.00 0.00 174.94 176.25 2q4n s ALA 61 N 0.38 3.28 -0.16 9.38 0.00 0.18 -2.22 121.76 132.60 2q4n s ALA 61 Ca -0.07 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.21 2q4n s ALA 61 Cb -0.15 -2.99 0.03 0.00 0.00 0.00 0.00 23.12 20.01 2q4n s ALA 61 CO 0.04 0.25 -0.14 -0.47 0.00 0.00 0.00 175.76 175.44 2q4n s TYR 62 N -1.68 2.31 -0.04 0.00 5.04 -0.66 -2.05 117.35 120.26 2q4n s TYR 62 Ca 0.49 -1.36 0.05 0.00 -2.44 0.00 0.00 57.07 53.80 2q4n s TYR 62 Cb -0.16 -1.65 -0.01 0.00 0.35 0.00 0.00 41.96 40.50 2q4n s TYR 62 CO 0.21 -0.71 -0.18 0.95 -1.34 0.00 0.00 175.55 174.49 2q4n s THR 63 N 1.44 1.45 -0.01 4.34 -4.23 -1.01 -0.25 115.64 117.37 2q4n s THR 63 Ca 0.04 -0.74 -0.04 0.00 -1.18 0.00 0.00 61.69 59.77 2q4n s THR 63 Cb -0.14 -1.24 0.00 0.00 1.34 0.00 0.00 72.50 72.46 2q4n s THR 63 CO -0.10 0.42 0.09 -1.58 -0.54 0.00 0.00 174.62 172.90 2q4n s GLN 64 N -0.05 0.29 0.16 3.99 -0.44 -0.73 -0.01 119.66 122.88 2q4n s GLN 64 Ca -0.02 -0.21 -0.03 0.00 -2.50 0.00 0.00 55.36 52.60 2q4n s GLN 64 Cb -0.11 0.12 -0.03 0.00 -1.64 0.00 0.00 33.01 31.35 2q4n s GLN 64 CO 0.02 -0.06 0.15 -1.59 0.50 0.00 0.00 175.29 174.30 2q4n s LYS 65 N -0.78 1.08 0.22 1.67 -2.85 -0.78 -2.14 119.74 116.16 2q4n s LYS 65 Ca -0.09 -1.43 0.00 0.00 -1.00 0.00 0.00 55.97 53.46 2q4n s LYS 65 Cb -0.05 0.29 -0.05 0.00 -2.06 0.00 0.00 37.83 35.96 2q4n s LYS 65 CO 0.00 -0.35 0.10 0.95 0.10 0.00 0.00 175.35 176.16 2q4n s THR 66 N -4.06 0.31 0.09 3.79 -4.23 -0.50 -0.45 115.64 110.60 2q4n s THR 66 Ca 0.26 -1.99 -0.03 0.00 -1.18 0.00 0.00 61.69 58.76 2q4n s THR 66 Cb 0.06 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.41 2q4n s THR 66 CO 0.05 -0.07 0.16 -2.67 -0.54 0.00 0.00 174.62 171.55 2q4n n TRP 67 N -0.34 -1.13 -3.60 3.99 2.14 -1.12 -3.97 117.44 113.40 2q4n n TRP 67 Ca -0.00 -0.47 -0.37 0.00 2.07 0.00 0.00 57.50 58.74 2q4n n TRP 67 Cb 0.66 0.19 -0.08 0.00 -0.81 0.00 0.00 31.31 31.26 2q4n n TRP 67 CO 0.00 0.00 0.00 0.15 2.07 0.00 0.00 177.69 179.91 2q4n s LYS 68 N -2.07 4.14 0.42 -2.67 1.02 -0.99 0.78 119.74 120.37 2q4n s LYS 68 Ca 0.05 -0.12 0.17 0.00 0.02 0.00 0.00 55.97 56.09 2q4n s LYS 68 Cb -0.01 -3.50 1.07 0.00 -0.52 0.00 0.00 37.83 34.87 2q4n s LYS 68 CO 0.03 0.11 1.87 -0.07 -0.92 0.00 0.00 175.35 176.37 2q4n h LEU 69 N 7.27 0.41 0.01 3.17 3.38 -1.89 -1.40 115.31 126.24 2q4n h LEU 69 Ca -0.39 0.04 -0.31 0.00 0.09 0.00 0.00 57.88 57.31 2q4n h LEU 69 Cb 1.16 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 2q4n h LEU 69 CO 0.70 0.17 -1.81 -1.84 0.09 0.00 0.00 178.44 175.76 2q4n n GLU 70 N -4.50 0.65 -0.05 1.13 0.00 -1.26 -4.45 120.64 112.15 2q4n n GLU 70 Ca 0.18 0.26 -0.01 0.00 0.00 0.00 0.00 57.16 57.60 2q4n n GLU 70 Cb 0.66 -1.76 -0.13 0.00 0.00 0.00 0.00 31.44 30.21 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 -3.06 1.03 0.00 -1.84 3.41 -1.20 -5.01 113.62 106.95 2q4n n SER 71 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 2q4n n SER 71 Cb 1.06 1.29 0.00 0.00 -0.26 0.00 0.00 64.21 66.30 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 1.79 0.95 3.77 5.00 0.00 -0.53 -5.01 105.19 111.16 2q4n n GLY 72 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.91 3.56 1.08 4.61 0.00 -1.26 -4.61 121.76 122.23 2q4n s ALA 73 Ca 0.00 1.42 -0.12 0.00 0.00 0.00 0.00 51.96 53.25 2q4n s ALA 73 Cb 0.00 -3.55 0.21 0.00 0.00 0.00 0.00 23.12 19.78 2q4n s ALA 73 CO 0.00 -0.85 0.93 -2.30 0.00 0.00 0.00 175.76 173.54 2q4n n PRO 74 N 0.88 -1.63 -2.12 0.00 -0.02 -1.26 -2.33 135.00 128.50 2q4n n PRO 74 Ca 0.01 -0.43 -0.28 0.00 -2.02 0.00 0.00 63.50 60.79 2q4n n PRO 74 Cb 0.40 -2.17 0.06 0.00 -0.02 0.00 0.00 33.50 31.77 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 -2.46 3.09 0.07 6.00 3.76 -1.25 -4.85 115.29 119.64 2q4n s HIS 76 Ca 0.66 0.68 -0.06 0.00 -0.15 0.00 0.00 55.06 56.19 2q4n s HIS 76 Cb -0.23 -3.12 -0.02 0.00 1.11 0.00 0.00 32.58 30.33 2q4n s HIS 76 CO 0.63 -1.29 0.11 0.00 -0.85 0.00 0.00 174.74 173.34 2q4n s ALA 77 N -3.27 0.03 0.16 -1.40 0.00 -1.26 -1.40 121.76 114.62 2q4n s ALA 77 Ca 0.59 -0.79 -0.17 0.00 0.00 0.00 0.00 51.96 51.58 2q4n s ALA 77 Cb -0.11 0.38 0.03 0.00 0.00 0.00 0.00 23.12 23.42 2q4n s ALA 77 CO 0.47 -0.43 0.47 -1.83 0.00 0.00 0.00 175.76 174.44 2q4n s GLU 78 N -3.68 1.24 -0.05 0.00 -1.05 -0.91 -1.04 118.70 113.20 2q4n s GLU 78 Ca 0.04 -0.77 -0.27 0.00 -0.15 0.00 0.00 54.97 53.82 2q4n s GLU 78 Cb 0.05 0.50 0.06 0.00 -0.44 0.00 0.00 34.13 34.30 2q4n s GLU 78 CO -0.10 -0.51 0.60 -1.54 0.95 0.00 0.00 175.26 174.66 2q4n s SER 79 N -2.84 -0.56 0.00 0.83 1.04 0.81 -1.77 113.70 111.22 2q4n s SER 79 Ca 0.06 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.11 2q4n s SER 79 Cb 0.00 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.66 2q4n s SER 79 CO -0.08 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.21 2q4n n GLY 80 N 1.11 1.61 3.00 7.32 0.00 0.65 0.11 105.19 118.99 2q4n n GLY 80 Ca -0.19 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.81 -0.22 -0.09 1.61 2.02 -0.31 -1.66 117.35 116.89 2q4n s TYR 81 Ca 0.00 0.57 -0.01 0.00 -0.37 0.00 0.00 57.07 57.26 2q4n s TYR 81 Cb 0.00 -0.00 -0.03 0.00 -0.40 0.00 0.00 41.96 41.53 2q4n s TYR 81 CO 0.00 -0.17 -0.02 -0.06 -1.57 0.00 0.00 175.55 173.73 2q4n s PHE 82 N 0.91 3.08 -0.40 2.71 0.40 -0.94 -2.03 117.98 121.71 2q4n s PHE 82 Ca -0.07 0.09 0.01 0.00 -0.60 0.00 0.00 56.93 56.36 2q4n s PHE 82 Cb -0.08 -1.79 0.14 0.00 0.51 0.00 0.00 43.02 41.80 2q4n s PHE 82 CO -0.05 0.37 0.24 1.03 0.70 0.00 0.00 175.22 177.51 2q4n s ARG 83 N -0.71 0.89 0.44 0.44 0.52 0.25 -2.81 118.95 117.97 2q4n s ARG 83 Ca 0.11 -1.70 -0.11 0.00 -0.52 0.00 0.00 55.73 53.50 2q4n s ARG 83 Cb -0.12 -1.72 -0.06 0.00 0.52 0.00 0.00 34.95 33.57 2q4n s ARG 83 CO 0.02 -1.22 0.82 -1.25 0.02 0.00 0.00 175.30 173.69 2q4n s PRO 84 N 0.64 3.78 0.02 3.54 0.04 -1.26 -2.29 135.00 139.48 2q4n s PRO 84 Ca 0.20 0.55 0.04 0.00 0.04 0.00 0.00 61.00 61.82 2q4n s PRO 84 Cb -0.20 -2.33 -0.02 0.00 0.04 0.00 0.00 34.50 32.00 2q4n s PRO 84 CO -0.02 -0.11 -0.11 1.03 0.04 0.00 0.00 177.00 177.82 2q4n s ARG 85 N -4.02 0.80 0.56 4.56 0.52 -0.10 -4.87 118.95 116.40 2q4n s ARG 85 Ca 0.52 -0.59 0.33 0.00 -0.52 0.00 0.00 55.73 55.48 2q4n s ARG 85 Cb -0.10 -0.76 1.48 0.00 0.52 0.00 0.00 34.95 36.08 2q4n s ARG 85 CO 0.33 0.19 1.80 -1.00 0.02 0.00 0.00 175.30 176.64 2q4n h PRO 86 N 5.25 0.00 0.00 3.54 0.13 -1.89 0.34 132.00 139.37 2q4n h PRO 86 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2q4n h PRO 86 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2q4n h PRO 86 CO 0.46 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.83 2q4n n ASP 87 N -4.00 0.00 0.00 1.44 5.75 -1.26 -4.79 116.55 113.69 2q4n n ASP 87 Ca 0.20 -0.84 0.00 0.00 -0.01 0.00 0.00 54.79 54.14 2q4n n ASP 87 Cb 1.09 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.18 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 0.12 0.71 3.83 6.12 0.00 0.08 -5.03 105.19 111.03 2q4n n GLY 88 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.36 6.81 -0.18 1.61 1.04 -1.03 -1.67 113.70 117.92 2q4n s SER 89 Ca 0.00 1.57 -0.15 0.00 0.48 0.00 0.00 55.95 57.86 2q4n s SER 89 Cb 0.00 -2.50 0.05 0.00 0.10 0.00 0.00 66.02 63.67 2q4n s SER 89 CO 0.00 -0.40 0.46 -0.51 0.98 0.00 0.00 173.24 173.76 2q4n s ILE 90 N -2.29 -0.01 0.19 -1.02 2.07 -0.84 -0.93 121.20 118.38 2q4n s ILE 90 Ca 0.60 0.02 0.11 0.00 -1.41 0.00 0.00 60.65 59.97 2q4n s ILE 90 Cb -0.09 -0.65 -0.04 0.00 0.13 0.00 0.00 42.46 41.80 2q4n s ILE 90 CO 0.20 0.01 -0.23 -1.83 -1.91 0.00 0.00 174.94 171.18 2q4n s GLU 91 N 0.53 1.57 -0.06 3.50 -1.05 -0.97 -1.08 118.70 121.15 2q4n s GLU 91 Ca -0.02 -1.50 -0.04 0.00 -0.15 0.00 0.00 54.97 53.26 2q4n s GLU 91 Cb -0.04 -1.88 0.02 0.00 -0.44 0.00 0.00 34.13 31.79 2q4n s GLU 91 CO -0.03 0.40 0.14 0.08 0.95 0.00 0.00 175.26 176.80 2q4n s VAL 92 N -1.68 -0.02 -0.06 1.83 1.01 0.21 -0.58 120.40 121.11 2q4n s VAL 92 Ca 0.21 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.32 2q4n s VAL 92 Cb -0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 2q4n s VAL 92 CO 0.10 0.03 -0.23 0.68 0.00 0.00 0.00 175.10 175.68 2q4n s VAL 93 N 0.51 2.23 -0.02 2.92 -7.23 -0.86 0.11 120.40 118.06 2q4n s VAL 93 Ca -0.04 -1.01 0.02 0.00 -1.81 0.00 0.00 61.98 59.15 2q4n s VAL 93 Cb -0.05 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 35.07 2q4n s VAL 93 CO -0.02 0.57 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.62 2q4n s ILE 94 N -0.24 0.72 -0.01 -0.62 1.01 -1.02 -1.17 121.20 119.87 2q4n s ILE 94 Ca -0.01 -0.34 -0.05 0.00 0.00 0.00 0.00 60.65 60.25 2q4n s ILE 94 Cb -0.13 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 2q4n s ILE 94 CO 0.03 0.22 0.23 0.00 0.00 0.00 0.00 174.94 175.42 2q4n s ALA 95 N 0.14 3.89 -0.02 9.38 0.00 0.29 -1.51 121.76 133.94 2q4n s ALA 95 Ca -0.02 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.31 2q4n s ALA 95 Cb -0.07 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.06 2q4n s ALA 95 CO 0.00 0.68 -0.07 -0.65 0.00 0.00 0.00 175.76 175.72 2q4n s GLN 96 N -1.77 0.78 0.00 0.00 -0.21 -0.78 -0.13 119.66 117.55 2q4n s GLN 96 Ca 0.26 -0.25 0.18 0.00 0.02 0.00 0.00 55.36 55.58 2q4n s GLN 96 Cb -0.13 -0.75 0.77 0.00 1.00 0.00 0.00 33.01 33.90 2q4n s GLN 96 CO 0.16 0.10 1.58 0.45 -2.12 0.00 0.00 175.29 175.45 2q4n n SER 97 N 3.27 0.00 -0.31 5.90 2.88 -0.21 -1.53 113.62 123.62 2q4n n SER 97 Ca -0.17 0.49 0.14 0.00 -1.33 0.00 0.00 58.87 58.00 2q4n n SER 97 Cb 0.55 -0.50 0.55 0.00 -0.75 0.00 0.00 64.21 64.06 2q4n n SER 97 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2q4n n THR 98 N -1.50 0.00 0.00 2.46 -2.24 -1.26 -4.94 114.28 106.80 2q4n n THR 98 Ca 0.04 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2q4n n THR 98 Cb 0.21 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 1.21 0.94 4.03 3.38 0.00 -0.58 -5.13 105.19 109.04 2q4n n GLY 99 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 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 3.21 0.09 0.99 1.02 -1.22 -4.71 118.68 118.06 2q4n s LEU 100 Ca 0.00 -0.77 -0.17 0.00 0.02 0.00 0.00 54.13 53.21 2q4n s LEU 100 Cb 0.00 -1.83 0.04 0.00 0.02 0.00 0.00 46.19 44.42 2q4n s LEU 100 CO 0.00 -1.22 0.41 0.68 0.02 0.00 0.00 176.35 176.24 2q4n s VAL 101 N -2.61 0.06 0.02 -1.59 -7.23 -1.07 -1.86 120.40 106.13 2q4n s VAL 101 Ca 0.60 -0.51 0.01 0.00 -1.81 0.00 0.00 61.98 60.27 2q4n s VAL 101 Cb -0.07 -1.07 -0.01 0.00 0.56 0.00 0.00 36.38 35.79 2q4n s VAL 101 CO 0.38 -0.28 -0.05 -1.61 -0.31 0.00 0.00 175.10 173.22 2q4n s GLU 102 N -3.20 0.40 -0.27 4.82 2.02 -0.57 -1.07 118.70 120.84 2q4n s GLU 102 Ca -0.01 -0.45 -0.01 0.00 0.02 0.00 0.00 54.97 54.52 2q4n s GLU 102 Cb 0.01 -0.24 0.04 0.00 0.10 0.00 0.00 34.13 34.03 2q4n s GLU 102 CO -0.08 0.05 -0.05 0.08 0.02 0.00 0.00 175.26 175.28 2q4n s VAL 103 N -0.80 2.81 0.03 2.63 1.01 -0.96 -2.45 120.40 122.66 2q4n s VAL 103 Ca -0.06 -1.22 0.06 0.00 0.00 0.00 0.00 61.98 60.76 2q4n s VAL 103 Cb -0.06 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2q4n s VAL 103 CO -0.00 0.08 -0.14 -1.10 0.00 0.00 0.00 175.10 173.94 2q4n s GLN 104 N 1.27 2.26 0.01 2.72 -1.52 0.30 0.80 119.66 125.49 2q4n s GLN 104 Ca -0.03 -0.88 -0.10 0.00 -1.95 0.00 0.00 55.36 52.40 2q4n s GLN 104 Cb -0.18 -2.31 0.01 0.00 -0.22 0.00 0.00 33.01 30.31 2q4n s GLN 104 CO -0.04 0.56 0.20 0.15 -0.25 0.00 0.00 175.29 175.91 2q4n s LYS 105 N -1.42 0.59 0.00 2.91 1.02 0.42 0.65 119.74 123.90 2q4n s LYS 105 Ca 0.16 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 55.73 2q4n s LYS 105 Cb -0.11 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.45 2q4n s LYS 105 CO 0.06 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 2q4n n GLY 106 N 1.19 -0.66 3.08 -3.33 0.00 -0.24 0.55 105.19 105.78 2q4n n GLY 106 Ca -0.21 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.65 0.10 0.09 2.61 -4.23 -0.24 -1.99 115.64 110.34 2q4n s THR 107 Ca 0.00 -0.85 0.09 0.00 -1.18 0.00 0.00 61.69 59.75 2q4n s THR 107 Cb 0.00 -0.52 -0.04 0.00 1.34 0.00 0.00 72.50 73.28 2q4n s THR 107 CO 0.00 -0.47 -0.20 -0.72 -0.54 0.00 0.00 174.62 172.69 2q4n s TYR 108 N -1.73 2.48 -0.12 3.99 -0.85 -0.67 -1.01 117.35 119.44 2q4n s TYR 108 Ca -0.12 -0.30 0.01 0.00 -0.52 0.00 0.00 57.07 56.14 2q4n s TYR 108 Cb -0.06 -1.36 0.02 0.00 0.38 0.00 0.00 41.96 40.93 2q4n s TYR 108 CO -0.01 0.32 -0.13 1.21 -1.52 0.00 0.00 175.55 175.43 2q4n s ASN 109 N -1.87 2.42 0.19 -0.18 3.84 0.07 -4.76 114.94 114.66 2q4n s ASN 109 Ca 0.16 -0.41 -0.07 0.00 0.21 0.00 0.00 52.86 52.74 2q4n s ASN 109 Cb -0.10 -1.05 0.09 0.00 -0.55 0.00 0.00 41.25 39.64 2q4n s ASN 109 CO 0.07 -0.04 1.58 0.58 -2.79 0.00 0.00 177.10 176.51 2q4n h VAL 110 N 6.04 1.27 0.02 -5.21 2.07 -1.97 -0.06 116.25 118.43 2q4n h VAL 110 Ca -0.33 -1.38 -0.24 0.00 0.82 0.00 0.00 66.70 65.57 2q4n h VAL 110 Cb 1.15 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 2q4n h VAL 110 CO 0.48 0.47 -1.17 0.44 0.02 0.00 0.00 177.57 177.81 2q4n h ASP 111 N 0.77 0.08 0.29 0.57 3.32 -1.98 -3.17 116.42 116.30 2q4n h ASP 111 Ca 0.10 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2q4n h ASP 111 Cb 0.78 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.30 2q4n h ASP 111 CO 0.06 1.08 -0.13 -0.62 -1.72 0.00 0.00 179.24 177.91 2q4n n GLU 112 N -3.34 0.81 -4.16 3.56 1.02 -1.19 -4.95 120.64 112.40 2q4n n GLU 112 Ca -0.05 -0.34 -0.29 0.00 -0.02 0.00 0.00 57.16 56.46 2q4n n GLU 112 Cb 0.97 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.84 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 -0.79 -2.09 -4.52 3.49 6.02 -0.11 -4.61 117.38 114.77 2q4n n GLN 113 Ca 0.15 0.25 -0.25 0.00 -0.01 0.00 0.00 57.00 57.13 2q4n n GLN 113 Cb 0.29 -4.10 -0.14 0.00 1.02 0.00 0.00 30.24 27.32 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 -4.31 2.55 -0.22 1.08 1.04 -0.76 -0.41 113.70 112.67 2q4n s SER 114 Ca 0.05 -0.59 0.01 0.00 0.48 0.00 0.00 55.95 55.90 2q4n s SER 114 Cb -0.03 -0.19 0.05 0.00 0.10 0.00 0.00 66.02 65.96 2q4n s SER 114 CO 0.95 0.13 -0.07 -0.63 0.98 0.00 0.00 173.24 174.60 2q4n s ILE 115 N -0.93 1.51 -0.16 -1.02 1.01 0.22 -0.75 121.20 121.07 2q4n s ILE 115 Ca 0.07 -1.09 0.01 0.00 0.00 0.00 0.00 60.65 59.64 2q4n s ILE 115 Cb -0.09 -1.71 0.01 0.00 0.01 0.00 0.00 42.46 40.67 2q4n s ILE 115 CO 0.03 -0.00 -0.18 -0.54 0.00 0.00 0.00 174.94 174.25 2q4n s LYS 116 N 1.43 3.09 0.07 2.79 1.02 -0.18 -0.79 119.74 127.17 2q4n s LYS 116 Ca -0.04 -0.80 0.07 0.00 0.02 0.00 0.00 55.97 55.22 2q4n s LYS 116 Cb -0.18 -2.58 -0.03 0.00 -0.52 0.00 0.00 37.83 34.52 2q4n s LYS 116 CO -0.07 -0.09 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.59 2q4n s LEU 117 N 1.03 2.24 0.02 3.17 1.43 -0.70 -1.07 118.68 124.81 2q4n s LEU 117 Ca -0.01 -0.59 0.04 0.00 -1.03 0.00 0.00 54.13 52.54 2q4n s LEU 117 Cb -0.15 -0.75 -0.02 0.00 0.03 0.00 0.00 46.19 45.31 2q4n s LEU 117 CO -0.05 0.04 -0.13 -0.54 0.23 0.00 0.00 176.35 175.89 2q4n s LYS 118 N -1.56 0.94 0.01 1.70 1.02 0.19 -2.58 119.74 119.46 2q4n s LYS 118 Ca 0.03 -0.65 -0.30 0.00 0.02 0.00 0.00 55.97 55.07 2q4n s LYS 118 Cb -0.09 -0.92 -0.04 0.00 -0.52 0.00 0.00 37.83 36.25 2q4n s LYS 118 CO 0.03 0.24 1.15 -1.54 -0.92 0.00 0.00 175.35 174.30 2q4n s SER 119 N -0.88 7.13 0.34 2.83 1.04 -0.71 -0.44 113.70 123.01 2q4n s SER 119 Ca 0.02 1.87 0.10 0.00 0.48 0.00 0.00 55.95 58.42 2q4n s SER 119 Cb -0.07 -2.57 0.62 0.00 0.10 0.00 0.00 66.02 64.10 2q4n s SER 119 CO 0.01 -0.47 1.79 0.44 0.98 0.00 0.00 173.24 175.99 2q4n h ASP 120 N 7.02 0.12 -4.52 7.02 5.19 0.05 -3.47 116.42 127.83 2q4n h ASP 120 Ca -0.39 -0.04 0.11 0.00 -0.62 0.00 0.00 57.03 56.09 2q4n h ASP 120 Cb 1.20 -0.03 -0.17 0.00 0.18 0.00 0.00 39.33 40.50 2q4n h ASP 120 CO 0.82 0.48 0.52 -0.22 -3.12 0.00 0.00 179.24 177.72 2q4n s LEU 121 N -8.26 -0.35 -0.10 1.55 0.20 -1.22 -4.99 118.68 105.50 2q4n s LEU 121 Ca -0.04 0.09 -0.01 0.00 0.69 0.00 0.00 54.13 54.86 2q4n s LEU 121 Cb 0.14 1.96 0.03 0.00 -0.43 0.00 0.00 46.19 47.89 2q4n s LEU 121 CO 0.74 -0.54 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.56 2q4n s VAL 122 N -2.67 0.58 0.04 1.68 1.01 -1.26 -2.27 120.40 117.51 2q4n s VAL 122 Ca 0.04 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.97 2q4n s VAL 122 Cb -0.01 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 2q4n s VAL 122 CO -0.06 0.23 -0.06 -0.83 0.00 0.00 0.00 175.10 174.37 2q4n s GLY 123 N 1.88 1.79 -1.36 4.51 0.00 -0.23 -4.57 107.32 109.33 2q4n s GLY 123 Ca 0.04 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.68 2q4n s GLY 123 CO -0.06 -0.98 0.00 -2.01 0.00 0.00 0.00 173.10 170.04 2q4n n ASN 124 N 1.24 -4.64 -4.80 1.64 5.15 -1.26 -2.60 115.26 109.99 2q4n n ASN 124 Ca -0.14 0.05 -0.36 0.00 -0.60 0.00 0.00 54.58 53.53 2q4n n ASN 124 Cb 0.52 -3.73 -0.07 0.00 -0.53 0.00 0.00 39.78 35.98 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 -2.73 3.77 0.17 5.20 0.00 -1.26 -4.67 121.76 122.24 2q4n s ALA 125 Ca 0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 51.96 51.24 2q4n s ALA 125 Cb 0.00 -2.10 0.04 0.00 0.00 0.00 0.00 23.12 21.06 2q4n s ALA 125 CO 0.00 0.37 1.55 0.66 0.00 0.00 0.00 175.76 178.34 2q4n h SER 126 N 5.84 0.95 0.00 0.00 4.64 -1.98 -3.42 113.55 119.57 2q4n h SER 126 Ca -0.48 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 60.46 2q4n h SER 126 Cb 1.19 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2q4n h SER 126 CO 0.67 1.16 -0.50 0.29 -0.87 0.00 0.00 176.83 177.58 2q4n n LYS 127 N -4.09 2.07 -2.21 4.77 5.02 -1.26 -5.07 118.16 117.39 2q4n n LYS 127 Ca -0.01 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.87 2q4n n LYS 127 Cb 0.49 -0.75 -0.03 0.00 -0.02 0.00 0.00 35.03 34.72 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 -1.48 3.01 -0.13 -0.18 1.01 -1.26 -4.17 120.40 117.21 2q4n s VAL 128 Ca 0.00 0.94 -0.10 0.00 0.00 0.00 0.00 61.98 62.83 2q4n s VAL 128 Cb 0.00 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.72 2q4n s VAL 128 CO 0.00 0.19 -0.22 0.29 0.00 0.00 0.00 175.10 175.37 2q4n n LYS 129 N 1.56 0.34 -4.33 2.72 4.76 -0.42 -4.82 118.16 117.97 2q4n n LYS 129 Ca 0.02 0.14 -0.19 0.00 -2.87 0.00 0.00 58.31 55.41 2q4n n LYS 129 Cb 0.43 -1.09 -0.10 0.00 -1.84 0.00 0.00 35.03 32.42 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 -2.42 1.28 -0.04 1.97 8.01 -1.25 -4.34 118.70 121.91 2q4n s GLU 130 Ca -0.21 -1.50 -0.03 0.00 0.01 0.00 0.00 54.97 53.23 2q4n s GLU 130 Cb 0.06 -1.15 0.01 0.00 -4.31 0.00 0.00 34.13 28.74 2q4n s GLU 130 CO 0.28 0.21 0.10 0.42 0.01 0.00 0.00 175.26 176.28 2q4n s ILE 131 N -2.63 -0.01 0.02 -1.63 1.01 -1.26 -1.17 121.20 115.53 2q4n s ILE 131 Ca 0.19 0.02 0.08 0.00 0.00 0.00 0.00 60.65 60.94 2q4n s ILE 131 Cb -0.03 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.27 2q4n s ILE 131 CO 0.06 0.01 -0.23 -0.44 0.00 0.00 0.00 174.94 174.34 2q4n s SER 132 N 0.18 3.37 -0.04 3.58 0.01 -0.29 -1.75 113.70 118.75 2q4n s SER 132 Ca -0.01 -0.48 -0.00 0.00 1.31 0.00 0.00 55.95 56.76 2q4n s SER 132 Cb -0.02 -0.43 0.03 0.00 0.21 0.00 0.00 66.02 65.81 2q4n s SER 132 CO -0.00 0.28 0.01 -0.13 0.41 0.00 0.00 173.24 173.81 2q4n s ARG 133 N -1.08 0.32 -0.06 12.44 0.52 -1.06 -1.15 118.95 128.88 2q4n s ARG 133 Ca 0.12 0.14 0.00 0.00 -0.52 0.00 0.00 55.73 55.47 2q4n s ARG 133 Cb -0.10 -0.62 0.02 0.00 0.52 0.00 0.00 34.95 34.77 2q4n s ARG 133 CO 0.02 -0.21 -0.04 -1.21 0.02 0.00 0.00 175.30 173.87 2q4n s GLU 134 N 1.47 0.94 -0.01 3.54 2.02 -0.73 -1.71 118.70 124.23 2q4n s GLU 134 Ca -0.03 -0.10 0.03 0.00 0.02 0.00 0.00 54.97 54.89 2q4n s GLU 134 Cb -0.13 -1.02 -0.03 0.00 0.10 0.00 0.00 34.13 33.04 2q4n s GLU 134 CO -0.03 -0.15 -0.09 -0.06 0.02 0.00 0.00 175.26 174.95 2q4n s PHE 135 N 1.28 2.85 -0.01 1.61 0.40 0.03 -1.43 117.98 122.70 2q4n s PHE 135 Ca -0.05 -0.06 0.02 0.00 -0.60 0.00 0.00 56.93 56.24 2q4n s PHE 135 Cb -0.14 -1.61 -0.00 0.00 0.51 0.00 0.00 43.02 41.78 2q4n s PHE 135 CO -0.02 0.34 -0.07 -2.00 0.70 0.00 0.00 175.22 174.16 2q4n s GLU 136 N -1.27 0.66 -0.02 0.44 2.12 -0.17 0.69 118.70 121.16 2q4n s GLU 136 Ca 0.16 -0.26 -0.23 0.00 0.36 0.00 0.00 54.97 54.99 2q4n s GLU 136 Cb -0.11 -0.64 -0.05 0.00 0.26 0.00 0.00 34.13 33.59 2q4n s GLU 136 CO 0.06 0.14 0.70 -1.17 -0.54 0.00 0.00 175.26 174.45 2q4n s LEU 137 N -0.06 4.38 -0.20 2.70 2.96 0.45 0.97 118.68 129.88 2q4n s LEU 137 Ca 0.01 1.26 -0.04 0.00 -0.22 0.00 0.00 54.13 55.15 2q4n s LEU 137 Cb -0.04 -3.10 0.07 0.00 0.50 0.00 0.00 46.19 43.62 2q4n s LEU 137 CO -0.00 -0.03 0.07 0.68 -1.32 0.00 0.00 176.35 175.75 2q4n s VAL 138 N 0.34 0.23 -1.43 1.68 -7.23 0.13 -4.83 120.40 109.29 2q4n s VAL 138 Ca 0.37 -0.47 -0.02 0.00 -1.81 0.00 0.00 61.98 60.04 2q4n s VAL 138 Cb -0.19 -0.88 0.01 0.00 0.56 0.00 0.00 36.38 35.89 2q4n s VAL 138 CO 0.19 -0.33 0.45 -0.67 -0.31 0.00 0.00 175.10 174.44 2q4n n ASP 139 N 5.15 -0.62 0.00 4.85 2.03 -1.26 -1.45 116.55 125.25 2q4n n ASP 139 Ca -0.07 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.23 2q4n n ASP 139 Cb 0.47 -3.04 0.00 0.00 -0.72 0.00 0.00 41.12 37.83 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 -1.94 3.02 3.92 0.27 0.00 -1.26 -5.02 105.19 104.18 2q4n n GLY 140 Ca -0.27 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.26 3.57 -0.08 1.61 1.02 -0.53 -4.46 119.74 120.60 2q4n s LYS 141 Ca 0.00 -0.20 -0.22 0.00 0.02 0.00 0.00 55.97 55.56 2q4n s LYS 141 Cb 0.00 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.50 2q4n s LYS 141 CO 0.00 0.34 0.66 -1.17 -0.92 0.00 0.00 175.35 174.27 2q4n s LEU 142 N -3.35 4.30 -0.17 3.17 2.96 0.25 -0.70 118.68 125.14 2q4n s LEU 142 Ca 0.40 1.11 -0.07 0.00 -0.22 0.00 0.00 54.13 55.35 2q4n s LEU 142 Cb -0.11 -3.01 -0.04 0.00 0.50 0.00 0.00 46.19 43.53 2q4n s LEU 142 CO 0.29 -0.11 0.07 -0.55 -1.32 0.00 0.00 176.35 174.73 2q4n s SER 143 N 0.80 5.77 0.06 3.68 0.15 0.27 -1.84 113.70 122.59 2q4n s SER 143 Ca 0.35 0.16 0.01 0.00 0.70 0.00 0.00 55.95 57.16 2q4n s SER 143 Cb -0.17 -1.95 -0.03 0.00 -1.71 0.00 0.00 66.02 62.16 2q4n s SER 143 CO 0.16 0.22 -0.05 -0.72 1.20 0.00 0.00 173.24 174.06 2q4n s TYR 144 N 0.07 0.60 -0.11 3.44 -0.85 -0.16 -1.00 117.35 119.34 2q4n s TYR 144 Ca 0.06 -0.82 0.01 0.00 -0.52 0.00 0.00 57.07 55.80 2q4n s TYR 144 Cb -0.12 -0.39 0.02 0.00 0.38 0.00 0.00 41.96 41.85 2q4n s TYR 144 CO 0.00 -0.23 -0.14 0.08 -1.52 0.00 0.00 175.55 173.75 2q4n s VAL 145 N -2.91 1.41 -0.22 -3.49 1.01 -0.51 -0.31 120.40 115.38 2q4n s VAL 145 Ca 0.01 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 2q4n s VAL 145 Cb 0.01 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 2q4n s VAL 145 CO -0.05 0.42 0.02 -0.69 0.00 0.00 0.00 175.10 174.80 2q4n s VAL 146 N 1.11 3.99 0.28 2.92 1.01 -0.20 -1.77 120.40 127.74 2q4n s VAL 146 Ca -0.04 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2q4n s VAL 146 Cb -0.14 -2.83 0.02 0.00 0.00 0.00 0.00 36.38 33.43 2q4n s VAL 146 CO -0.03 0.40 0.13 0.54 0.00 0.00 0.00 175.10 176.14 2q4n n ARG 147 N 4.55 1.17 -3.88 2.72 1.74 -0.30 0.13 116.66 122.80 2q4n n ARG 147 Ca -0.17 -1.86 -0.09 0.00 -0.77 0.00 0.00 57.85 54.95 2q4n n ARG 147 Cb 0.51 0.32 -0.07 0.00 -1.02 0.00 0.00 32.46 32.21 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 -2.61 0.02 0.31 0.55 1.04 -0.32 -1.14 113.70 111.56 2q4n s SER 149 Ca 0.10 -0.71 0.03 0.00 0.48 0.00 0.00 55.95 55.85 2q4n s SER 149 Cb -0.01 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 2q4n s SER 149 CO 0.06 -0.85 0.13 0.42 0.98 0.00 0.00 173.24 173.99 2q4n s THR 150 N -3.91 0.51 0.38 2.02 -4.23 0.45 -1.30 115.64 109.56 2q4n s THR 150 Ca 0.11 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.79 2q4n s THR 150 Cb 0.03 -2.54 0.37 0.00 1.34 0.00 0.00 72.50 71.71 2q4n s THR 150 CO -0.05 0.00 1.73 0.74 -0.54 0.00 0.00 174.62 176.50 2q4n h THR 151 N 2.17 0.44 -0.00 3.99 2.02 -1.96 -3.04 112.91 116.54 2q4n h THR 151 Ca -0.36 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 66.69 2q4n h THR 151 Cb 1.25 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2q4n h THR 151 CO 0.56 0.07 -0.53 0.35 0.37 0.00 0.00 175.52 176.34 2q4n n THR 152 N -4.76 0.00 -3.99 3.16 -2.24 -1.26 -4.94 114.28 100.25 2q4n n THR 152 Ca 0.28 -0.23 -0.34 0.00 -2.27 0.00 0.00 64.05 61.49 2q4n n THR 152 Cb 0.93 1.00 -0.15 0.00 -2.10 0.00 0.00 70.33 70.02 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 -2.07 4.01 0.86 3.42 -0.87 -1.15 -5.13 114.94 114.01 2q4n s ASN 153 Ca 0.05 -0.67 -0.11 0.00 -1.57 0.00 0.00 52.86 50.55 2q4n s ASN 153 Cb 0.09 -1.64 0.11 0.00 -0.02 0.00 0.00 41.25 39.79 2q4n s ASN 153 CO 0.47 -0.06 1.10 -2.84 -2.57 0.00 0.00 177.10 173.20 2q4n s PRO 154 N 1.36 1.53 0.29 -0.60 0.02 -1.26 -0.41 135.00 135.93 2q4n s PRO 154 Ca 0.03 1.18 -0.29 0.00 0.02 0.00 0.00 61.00 61.94 2q4n s PRO 154 Cb -0.15 -1.81 -0.13 0.00 0.02 0.00 0.00 34.50 32.42 2q4n s PRO 154 CO -0.06 -2.15 1.19 -0.11 -0.33 0.00 0.00 177.00 175.53 2q4n n LEU 155 N -3.87 2.62 -3.62 -5.54 7.94 -1.26 -4.61 117.00 108.66 2q4n n LEU 155 Ca 0.09 1.18 -0.00 0.00 -1.11 0.00 0.00 56.01 56.17 2q4n n LEU 155 Cb 0.53 -1.38 -0.01 0.00 0.53 0.00 0.00 43.42 43.09 2q4n n LEU 155 CO 0.53 -0.91 1.20 0.00 -1.11 0.00 0.00 177.39 177.10 2q4n s GLN 156 N -1.39 0.02 0.25 1.96 -2.07 -1.26 -4.98 119.66 112.18 2q4n s GLN 156 Ca 0.60 -0.01 -0.31 0.00 -1.82 0.00 0.00 55.36 53.83 2q4n s GLN 156 Cb -0.66 0.01 -0.14 0.00 -1.09 0.00 0.00 33.01 31.13 2q4n s GLN 156 CO 0.58 -0.01 1.32 -2.30 -1.32 0.00 0.00 175.29 173.57 2q4n n PRO 157 N -0.16 1.88 0.02 9.60 -0.02 -1.26 -4.47 135.00 140.58 2q4n n PRO 157 Ca 0.01 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2q4n n PRO 157 Cb 0.59 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 1.48 -0.27 -4.14 6.00 -0.00 -0.92 -4.75 115.22 112.62 2q4n n HIS 158 Ca 0.11 0.05 -0.16 0.00 0.46 0.00 0.00 57.72 58.18 2q4n n HIS 158 Cb 0.31 0.32 -0.12 0.00 -0.12 0.00 0.00 29.99 30.38 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 -5.66 2.30 -0.08 0.27 1.43 0.36 -1.83 118.68 115.47 2q4n s LEU 159 Ca 0.00 -0.64 -0.04 0.00 -1.03 0.00 0.00 54.13 52.42 2q4n s LEU 159 Cb 0.00 -0.37 0.04 0.00 0.03 0.00 0.00 46.19 45.88 2q4n s LEU 159 CO 0.00 -0.15 0.18 -1.59 0.23 0.00 0.00 176.35 175.02 2q4n s LYS 160 N -1.91 0.14 0.07 1.70 -2.85 -0.85 -1.03 119.74 115.00 2q4n s LYS 160 Ca -0.03 0.40 -0.06 0.00 -1.00 0.00 0.00 55.97 55.28 2q4n s LYS 160 Cb -0.09 -0.12 -0.02 0.00 -2.06 0.00 0.00 37.83 35.55 2q4n s LYS 160 CO 0.01 -0.14 0.10 0.00 0.10 0.00 0.00 175.35 175.42 2q4n s ALA 161 N 1.03 0.04 -0.05 0.59 0.00 0.57 -1.25 121.76 122.69 2q4n s ALA 161 Ca -0.08 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.12 2q4n s ALA 161 Cb -0.10 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.40 2q4n s ALA 161 CO -0.06 -0.42 -0.10 0.42 0.00 0.00 0.00 175.76 175.60 2q4n s ILE 162 N -3.61 0.91 -0.04 0.00 1.01 -0.86 -0.99 121.20 117.61 2q4n s ILE 162 Ca 0.03 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.33 2q4n s ILE 162 Cb 0.05 -0.84 0.01 0.00 0.01 0.00 0.00 42.46 41.69 2q4n s ILE 162 CO -0.09 0.30 -0.11 -0.76 0.00 0.00 0.00 174.94 174.28 2q4n s LEU 163 N 0.54 1.69 0.31 2.97 1.02 -0.77 -2.47 118.68 121.97 2q4n s LEU 163 Ca -0.10 -0.24 -0.21 0.00 0.02 0.00 0.00 54.13 53.60 2q4n s LEU 163 Cb -0.13 -0.69 -0.09 0.00 0.02 0.00 0.00 46.19 45.30 2q4n s LEU 163 CO 0.02 0.05 0.83 -1.81 0.02 0.00 0.00 176.35 175.46 2q4n s ASP 164 N 0.45 7.06 0.27 2.29 1.01 -0.77 -0.58 116.67 126.39 2q4n s ASP 164 Ca -0.09 1.56 -0.30 0.00 0.71 0.00 0.00 52.55 54.44 2q4n s ASP 164 Cb -0.12 -2.48 -0.09 0.00 1.01 0.00 0.00 42.92 41.23 2q4n s ASP 164 CO 0.02 -0.12 1.08 -0.75 0.21 0.00 0.00 175.17 175.61 2q4n s LYS 165 N -2.42 4.67 0.00 8.23 2.20 -1.26 -0.78 119.74 130.37 2q4n s LYS 165 Ca 0.51 1.76 0.25 0.00 -0.36 0.00 0.00 55.97 58.14 2q4n s LYS 165 Cb -0.14 -3.20 0.49 0.00 -1.51 0.00 0.00 37.83 33.46 2q4n s LYS 165 CO 0.20 0.25 1.43 1.28 -0.36 0.00 0.00 175.35 178.14