#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q4s n GLY 13 N 0.00 2.41 2.42 -0.02 0.00 -1.26 -4.93 105.19 103.80 1q4s n GLY 13 Ca 0.00 -0.54 -0.15 0.00 0.00 0.00 0.00 46.02 45.34 1q4s n GLY 13 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1q4s n ASN 14 N 0.97 -4.48 -4.77 1.61 5.15 -1.26 -0.14 115.26 112.33 1q4s n ASN 14 Ca 0.16 -0.10 -0.32 0.00 -0.60 0.00 0.00 54.58 53.73 1q4s n ASN 14 Cb 0.49 -3.50 0.07 0.00 -0.53 0.00 0.00 39.78 36.31 1q4s n ASN 14 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1q4s s LEU 15 N -4.34 3.17 0.06 1.20 1.02 -1.26 -4.63 118.68 113.90 1q4s s LEU 15 Ca 0.09 1.86 -0.34 0.00 0.02 0.00 0.00 54.13 55.77 1q4s s LEU 15 Cb -0.04 -4.53 -0.13 0.00 0.02 0.00 0.00 46.19 41.51 1q4s s LEU 15 CO 0.12 -1.82 1.73 -2.65 0.02 0.00 0.00 176.35 173.74 1q4s n PRO 16 N -3.09 2.24 -2.71 1.29 -0.02 -1.26 -4.86 135.00 126.60 1q4s n PRO 16 Ca 0.09 0.81 -0.42 0.00 -2.02 0.00 0.00 63.50 61.97 1q4s n PRO 16 Cb 0.53 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.35 1q4s n PRO 16 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1q4s s ASP 17 N 2.36 6.50 0.00 2.55 2.15 -1.26 -4.68 116.67 124.29 1q4s s ASP 17 Ca 0.85 -1.57 0.05 0.00 0.43 0.00 0.00 52.55 52.31 1q4s s ASP 17 Cb -0.66 -2.50 0.01 0.00 -0.30 0.00 0.00 42.92 39.47 1q4s s ASP 17 CO 0.43 -1.37 0.48 1.33 -0.17 0.00 0.00 175.17 175.87 1q4s n VAL 18 N 6.31 0.00 -4.09 1.11 0.24 -1.26 -5.02 118.33 115.62 1q4s n VAL 18 Ca 0.26 -0.46 -0.08 0.00 -2.04 0.00 0.00 64.34 62.02 1q4s n VAL 18 Cb 0.50 1.06 -0.10 0.00 -1.47 0.00 0.00 33.84 33.84 1q4s n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1q4s s ALA 19 N -0.82 0.58 0.13 2.33 0.00 -1.26 -4.94 121.76 117.78 1q4s s ALA 19 Ca 0.04 -1.26 0.05 0.00 0.00 0.00 0.00 51.96 50.80 1q4s s ALA 19 Cb 0.04 0.55 -0.15 0.00 0.00 0.00 0.00 23.12 23.56 1q4s s ALA 19 CO 0.11 -0.44 1.30 0.66 0.00 0.00 0.00 175.76 177.39 1q4s h SER 20 N 2.98 0.08 -4.23 0.00 4.64 -2.01 -3.45 113.55 111.56 1q4s h SER 20 Ca -0.34 -0.08 -0.42 0.00 -0.47 0.00 0.00 61.79 60.48 1q4s h SER 20 Cb 1.17 -0.02 -0.27 0.00 -0.31 0.00 0.00 62.40 62.97 1q4s h SER 20 CO 0.62 1.01 -0.79 -1.00 -0.87 0.00 0.00 176.83 175.80 1q4s s HIS 21 N -2.82 1.05 -0.03 4.77 3.76 -1.26 -5.12 115.29 115.64 1q4s s HIS 21 Ca -0.00 -0.27 0.06 0.00 -0.15 0.00 0.00 55.06 54.70 1q4s s HIS 21 Cb 0.10 -0.65 -0.01 0.00 1.11 0.00 0.00 32.58 33.12 1q4s s HIS 21 CO 0.82 -0.00 -0.20 0.71 -0.85 0.00 0.00 174.74 175.22 1q4s s TYR 22 N -0.55 1.89 0.47 1.40 1.51 -1.26 -5.04 117.35 115.77 1q4s s TYR 22 Ca 0.02 -0.43 0.13 0.00 -1.01 0.00 0.00 57.07 55.79 1q4s s TYR 22 Cb -0.06 -1.23 1.10 0.00 -0.11 0.00 0.00 41.96 41.65 1q4s s TYR 22 CO 0.00 -0.09 2.09 -1.35 -1.11 0.00 0.00 175.55 175.09 1q4s h PRO 23 N 5.82 0.15 -4.89 -1.71 0.11 -2.03 -3.42 132.00 126.03 1q4s h PRO 23 Ca -0.37 -0.01 -0.55 0.00 0.11 0.00 0.00 66.00 65.18 1q4s h PRO 23 Cb 1.15 -0.03 -0.33 0.00 0.11 0.00 0.00 31.00 31.90 1q4s h PRO 23 CO 0.48 0.14 -0.83 0.08 -0.21 0.00 0.00 178.00 177.66 1q4s s VAL 24 N -5.08 1.35 0.35 3.15 1.01 -1.26 -5.11 120.40 114.81 1q4s s VAL 24 Ca -0.06 -0.63 -0.27 0.00 0.00 0.00 0.00 61.98 61.03 1q4s s VAL 24 Cb 0.17 -1.20 -0.09 0.00 0.00 0.00 0.00 36.38 35.26 1q4s s VAL 24 CO 0.69 0.40 1.11 0.00 0.00 0.00 0.00 175.10 177.30 1q4s s ALA 25 N 0.41 3.25 0.25 5.51 0.00 -1.26 -4.85 121.76 125.07 1q4s s ALA 25 Ca -0.12 0.87 -0.12 0.00 0.00 0.00 0.00 51.96 52.59 1q4s s ALA 25 Cb -0.15 -3.33 0.35 0.00 0.00 0.00 0.00 23.12 19.99 1q4s s ALA 25 CO 0.04 -0.28 1.57 -0.92 0.00 0.00 0.00 175.76 176.17 1q4s h TYR 26 N 3.12 -0.63 0.00 0.00 3.20 -1.97 0.41 116.97 121.10 1q4s h TYR 26 Ca -0.48 0.09 -0.00 0.00 3.14 0.00 0.00 58.73 61.47 1q4s h TYR 26 Cb 1.22 0.42 -0.00 0.00 1.54 0.00 0.00 36.73 39.90 1q4s h TYR 26 CO 0.57 -0.39 -0.02 0.93 -1.64 0.00 0.00 178.16 177.62 1q4s h GLU 27 N -0.01 0.00 0.00 1.82 3.07 -1.91 -2.17 114.58 115.37 1q4s h GLU 27 Ca 0.40 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.15 1q4s h GLU 27 Cb 0.64 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.53 1q4s h GLU 27 CO -0.92 0.02 -1.52 1.04 -1.40 0.00 0.00 179.01 176.22 1q4s n GLN 28 N -3.32 0.63 -0.91 2.33 3.00 0.14 -4.19 117.38 115.06 1q4s n GLN 28 Ca -0.02 0.09 -0.28 0.00 -0.01 0.00 0.00 57.00 56.77 1q4s n GLN 28 Cb 0.12 -1.73 0.21 0.00 0.00 0.00 0.00 30.24 28.84 1q4s n GLN 28 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1q4s s THR 29 N -3.11 2.05 0.18 5.09 -4.23 -0.83 -4.78 115.64 110.00 1q4s s THR 29 Ca -0.04 0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.36 1q4s s THR 29 Cb 0.10 -2.33 0.09 0.00 1.34 0.00 0.00 72.50 71.69 1q4s s THR 29 CO 0.83 -0.02 1.79 0.25 -0.54 0.00 0.00 174.62 176.93 1q4s h LEU 30 N -2.21 0.75 -0.51 4.79 5.85 -1.93 -1.31 115.31 120.75 1q4s h LEU 30 Ca -0.58 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.11 1q4s h LEU 30 Cb 1.33 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 1q4s h LEU 30 CO 0.55 0.63 0.22 0.44 -0.34 0.00 0.00 178.44 179.93 1q4s h ASP 31 N 0.82 0.27 0.86 1.25 3.32 -1.91 -1.71 116.42 119.32 1q4s h ASP 31 Ca 0.21 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.21 1q4s h ASP 31 Cb 0.04 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1q4s h ASP 31 CO -0.03 0.18 -0.47 1.23 -1.72 0.00 0.00 179.24 178.43 1q4s h GLY 32 N 0.42 0.00 1.41 2.75 0.00 -1.33 0.04 103.07 106.36 1q4s h GLY 32 Ca 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.43 1q4s h GLY 32 CO -0.21 0.00 -0.41 -0.84 0.00 0.00 0.00 176.54 175.08 1q4s h THR 33 N 0.00 1.30 0.00 4.70 2.02 -0.39 -3.15 112.91 117.38 1q4s h THR 33 Ca -0.00 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.59 1q4s h THR 33 Cb 1.03 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 1q4s h THR 33 CO 0.06 0.51 -1.09 1.33 0.37 0.00 0.00 175.52 176.69 1q4s n VAL 34 N -4.03 0.20 -0.38 3.16 0.24 -0.74 -5.00 118.33 111.78 1q4s n VAL 34 Ca -0.02 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 1q4s n VAL 34 Cb 0.53 0.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.05 1q4s n VAL 34 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q4s n GLY 35 N 1.34 1.68 3.75 7.63 0.00 -0.36 -4.73 105.19 114.50 1q4s n GLY 35 Ca 0.01 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1q4s n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q4s s PHE 36 N -2.00 3.47 -0.03 1.61 0.08 -0.14 -4.46 117.98 116.51 1q4s s PHE 36 Ca 0.00 1.55 0.01 0.00 0.12 0.00 0.00 56.93 58.61 1q4s s PHE 36 Cb 0.00 -3.38 0.02 0.00 -0.57 0.00 0.00 43.02 39.09 1q4s s PHE 36 CO 0.00 -0.94 -0.03 0.08 -0.10 0.00 0.00 175.22 174.22 1q4s s VAL 37 N -0.62 0.40 -0.04 -0.44 1.01 0.60 -4.65 120.40 116.67 1q4s s VAL 37 Ca 0.49 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 1q4s s VAL 37 Cb -0.33 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 1q4s s VAL 37 CO 0.40 0.18 1.07 -0.63 0.00 0.00 0.00 175.10 176.11 1q4s s ILE 38 N 0.74 4.59 0.00 2.22 1.01 0.80 -0.54 121.20 130.02 1q4s s ILE 38 Ca -0.09 1.87 0.00 0.00 0.00 0.00 0.00 60.65 62.43 1q4s s ILE 38 Cb -0.12 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.15 1q4s s ILE 38 CO -0.00 0.07 0.00 0.47 0.00 0.00 0.00 174.94 175.48 1q4s n ASP 39 N 4.52 0.00 -4.83 3.58 9.92 0.92 -4.70 116.55 125.96 1q4s n ASP 39 Ca 0.08 0.01 -0.27 0.00 -0.53 0.00 0.00 54.79 54.09 1q4s n ASP 39 Cb 0.49 -0.19 -0.05 0.00 -0.64 0.00 0.00 41.12 40.72 1q4s n ASP 39 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1q4s s GLU 40 N -0.39 3.03 -0.23 -1.24 2.02 -1.16 -4.90 118.70 115.83 1q4s s GLU 40 Ca 0.00 -0.79 -0.03 0.00 0.02 0.00 0.00 54.97 54.17 1q4s s GLU 40 Cb 0.00 -2.73 0.12 0.00 0.10 0.00 0.00 34.13 31.62 1q4s s GLU 40 CO 0.00 0.50 0.31 1.41 0.02 0.00 0.00 175.26 177.50 1q4s s MET 41 N -3.08 0.29 0.31 1.61 1.75 -1.26 -0.57 119.30 118.34 1q4s s MET 41 Ca 0.32 0.39 0.03 0.00 -1.25 0.00 0.00 55.69 55.18 1q4s s MET 41 Cb -0.10 -0.78 -0.06 0.00 2.84 0.00 0.00 34.83 36.73 1q4s s MET 41 CO 0.24 -0.65 0.06 0.95 -0.65 0.00 0.00 175.02 174.97 1q4s s THR 42 N 2.46 1.09 0.47 10.11 -4.23 0.58 -5.01 115.64 121.10 1q4s s THR 42 Ca 0.10 -2.01 0.16 0.00 -1.18 0.00 0.00 61.69 58.77 1q4s s THR 42 Cb -0.16 -2.73 0.21 0.00 1.34 0.00 0.00 72.50 71.17 1q4s s THR 42 CO -0.15 -0.03 2.04 -0.65 -0.54 0.00 0.00 174.62 175.29 1q4s h PRO 43 N 2.19 0.00 -0.01 3.99 0.11 -2.00 -3.02 132.00 133.26 1q4s h PRO 43 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1q4s h PRO 43 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1q4s h PRO 43 CO 0.68 0.13 -0.39 0.39 -0.21 0.00 0.00 178.00 178.60 1q4s n GLU 44 N -4.33 1.73 -3.62 1.05 1.02 -1.26 -4.85 120.64 110.37 1q4s n GLU 44 Ca -0.03 -0.68 -0.14 0.00 -0.02 0.00 0.00 57.16 56.29 1q4s n GLU 44 Cb 0.20 -1.26 -0.07 0.00 -0.02 0.00 0.00 31.44 30.29 1q4s n GLU 44 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1q4s s ARG 45 N -1.97 0.84 0.06 3.49 3.52 -1.14 -1.17 118.95 122.58 1q4s s ARG 45 Ca 0.12 0.96 -0.13 0.00 -0.13 0.00 0.00 55.73 56.55 1q4s s ARG 45 Cb 0.13 0.41 0.02 0.00 -1.56 0.00 0.00 34.95 33.95 1q4s s ARG 45 CO 0.44 -0.11 0.29 0.00 -0.81 0.00 0.00 175.30 175.11 1q4s s ALA 46 N 0.30 -0.63 0.09 6.12 0.00 -0.04 -0.31 121.76 127.28 1q4s s ALA 46 Ca -0.00 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 51.89 1q4s s ALA 46 Cb -0.05 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 1q4s s ALA 46 CO 0.01 -0.44 -0.09 0.95 0.00 0.00 0.00 175.76 176.19 1q4s s THR 47 N -2.83 0.78 0.23 0.00 -4.23 0.26 0.22 115.64 110.07 1q4s s THR 47 Ca -0.03 -1.61 -0.19 0.00 -1.18 0.00 0.00 61.69 58.68 1q4s s THR 47 Cb 0.00 -1.30 0.03 0.00 1.34 0.00 0.00 72.50 72.57 1q4s s THR 47 CO -0.05 -0.62 0.61 0.00 -0.54 0.00 0.00 174.62 174.02 1q4s s ALA 48 N -2.57 -1.07 0.28 3.99 0.00 -0.76 -0.06 121.76 121.57 1q4s s ALA 48 Ca 0.04 -0.23 -0.19 0.00 0.00 0.00 0.00 51.96 51.58 1q4s s ALA 48 Cb -0.02 0.88 0.02 0.00 0.00 0.00 0.00 23.12 24.00 1q4s s ALA 48 CO -0.01 -0.90 0.68 -1.54 0.00 0.00 0.00 175.76 173.98 1q4s s SER 49 N -2.89 -0.22 -0.05 0.00 1.04 0.30 -0.46 113.70 111.42 1q4s s SER 49 Ca 0.10 -0.69 -0.21 0.00 0.48 0.00 0.00 55.95 55.64 1q4s s SER 49 Cb -0.03 0.71 0.04 0.00 0.10 0.00 0.00 66.02 66.84 1q4s s SER 49 CO 0.01 -1.32 0.47 0.54 0.98 0.00 0.00 173.24 173.92 1q4s s VAL 50 N -3.89 0.03 0.06 5.02 0.11 -0.88 -0.29 120.40 120.56 1q4s s VAL 50 Ca 0.13 -0.24 -0.24 0.00 -2.93 0.00 0.00 61.98 58.71 1q4s s VAL 50 Cb -0.05 -0.76 -0.06 0.00 -1.53 0.00 0.00 36.38 33.98 1q4s s VAL 50 CO 0.08 -0.13 0.73 -1.61 -3.33 0.00 0.00 175.10 170.84 1q4s s GLU 51 N -1.06 4.47 0.05 1.54 2.02 -1.26 -1.91 118.70 122.55 1q4s s GLU 51 Ca -0.11 1.02 -0.31 0.00 0.02 0.00 0.00 54.97 55.60 1q4s s GLU 51 Cb -0.03 -3.33 -0.06 0.00 0.10 0.00 0.00 34.13 30.80 1q4s s GLU 51 CO 0.06 0.38 1.38 0.08 0.02 0.00 0.00 175.26 177.18 1q4s s VAL 52 N -0.36 3.59 0.30 2.63 1.01 0.34 -4.94 120.40 122.96 1q4s s VAL 52 Ca 0.36 1.06 0.03 0.00 0.00 0.00 0.00 61.98 63.44 1q4s s VAL 52 Cb -0.21 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1q4s s VAL 52 CO 0.23 0.04 0.17 0.42 0.00 0.00 0.00 175.10 175.95 1q4s s THR 53 N 1.83 0.28 0.48 3.92 -4.23 -1.26 -4.59 115.64 112.06 1q4s s THR 53 Ca 0.64 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.41 1q4s s THR 53 Cb -0.33 -2.51 0.30 0.00 1.34 0.00 0.00 72.50 71.30 1q4s s THR 53 CO 0.28 0.00 2.12 0.44 -0.54 0.00 0.00 174.62 176.92 1q4s h ASP 54 N 2.22 0.00 0.45 3.99 3.32 -1.95 -1.15 116.42 123.30 1q4s h ASP 54 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1q4s h ASP 54 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1q4s h ASP 54 CO 0.50 0.09 0.00 0.74 -1.72 0.00 0.00 179.24 178.85 1q4s h THR 55 N 0.00 0.00 0.00 0.35 2.02 -1.95 -0.96 112.91 112.37 1q4s h THR 55 Ca -0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1q4s h THR 55 Cb 0.22 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1q4s h THR 55 CO 0.01 0.00 -0.84 -0.11 0.37 0.00 0.00 175.52 174.96 1q4s n LEU 56 N -2.84 0.77 -5.00 2.58 7.94 -0.44 -4.94 117.00 115.06 1q4s n LEU 56 Ca -0.01 -0.27 -0.18 0.00 -1.11 0.00 0.00 56.01 54.44 1q4s n LEU 56 Cb 0.17 -0.10 0.02 0.00 0.53 0.00 0.00 43.42 44.04 1q4s n LEU 56 CO 0.21 0.18 0.23 -0.13 -1.11 0.00 0.00 177.39 176.77 1q4s s ARG 57 N -3.03 2.69 0.48 1.96 0.52 -0.37 -0.97 118.95 120.24 1q4s s ARG 57 Ca 0.08 -1.16 0.08 0.00 -0.52 0.00 0.00 55.73 54.21 1q4s s ARG 57 Cb 0.16 -2.67 0.02 0.00 0.52 0.00 0.00 34.95 32.98 1q4s s ARG 57 CO 0.80 -0.46 0.51 1.14 0.02 0.00 0.00 175.30 177.32 1q4s s GLN 58 N -4.50 2.47 0.62 3.54 1.03 -0.05 -4.58 119.66 118.19 1q4s s GLN 58 Ca 0.56 -1.61 0.34 0.00 0.04 0.00 0.00 55.36 54.69 1q4s s GLN 58 Cb -0.10 -2.45 1.92 0.00 0.03 0.00 0.00 33.01 32.41 1q4s s GLN 58 CO 0.35 -0.46 2.19 0.07 -2.54 0.00 0.00 175.29 174.90 1q4s h ARG 59 N 0.70 0.00 -0.02 9.60 0.11 -1.96 0.05 114.38 122.86 1q4s h ARG 59 Ca -0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.71 1q4s h ARG 59 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1q4s h ARG 59 CO 0.51 0.00 0.00 0.91 0.10 0.00 0.00 179.97 181.49 1q4s n TRP 60 N -3.47 0.02 -0.33 4.08 7.02 -1.26 -4.91 117.44 118.58 1q4s n TRP 60 Ca -0.01 -0.01 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 1q4s n TRP 60 Cb 0.21 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.10 1q4s n TRP 60 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1q4s n GLY 61 N 1.00 0.80 3.88 6.99 0.00 0.01 -5.05 105.19 112.81 1q4s n GLY 61 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1q4s n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q4s s LEU 62 N 0.00 4.02 0.18 0.99 1.43 -1.26 -4.69 118.68 119.36 1q4s s LEU 62 Ca 0.00 -0.09 -0.32 0.00 -1.03 0.00 0.00 54.13 52.70 1q4s s LEU 62 Cb 0.00 -2.57 -0.12 0.00 0.03 0.00 0.00 46.19 43.53 1q4s s LEU 62 CO 0.00 -0.02 1.77 -0.69 0.23 0.00 0.00 176.35 177.64 1q4s s VAL 63 N -1.97 2.16 0.36 -1.59 1.01 0.66 -0.88 120.40 120.16 1q4s s VAL 63 Ca 0.33 0.01 -0.28 0.00 0.00 0.00 0.00 61.98 62.03 1q4s s VAL 63 Cb -0.09 -3.00 -0.11 0.00 0.00 0.00 0.00 36.38 33.17 1q4s s VAL 63 CO 0.26 0.00 1.51 1.57 0.00 0.00 0.00 175.10 178.44 1q4s n HIS 64 N 4.54 2.97 -0.22 5.22 -0.00 -0.14 -4.76 115.22 122.84 1q4s n HIS 64 Ca 0.17 0.41 0.06 0.00 0.46 0.00 0.00 57.72 58.82 1q4s n HIS 64 Cb 0.36 -2.55 0.33 0.00 -0.12 0.00 0.00 29.99 28.01 1q4s n HIS 64 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1q4s h GLY 65 N 3.32 1.06 2.00 1.57 0.00 -1.90 0.18 103.07 109.30 1q4s h GLY 65 Ca -0.50 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 46.50 1q4s h GLY 65 CO 0.67 0.23 -0.03 -1.33 0.00 0.00 0.00 176.54 176.08 1q4s h GLY 66 N 0.81 0.00 0.98 4.60 0.00 -1.96 -2.01 103.07 105.50 1q4s h GLY 66 Ca 0.34 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.58 1q4s h GLY 66 CO -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.32 1q4s h ALA 67 N 1.97 0.56 -0.67 3.60 0.00 -0.94 -0.51 119.26 123.26 1q4s h ALA 67 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1q4s h ALA 67 Cb 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1q4s h ALA 67 CO 0.00 0.43 0.35 1.88 0.00 0.00 0.00 179.25 181.91 1q4s h TYR 68 N 0.59 0.94 -0.38 0.00 -1.99 -1.40 -0.30 116.97 114.44 1q4s h TYR 68 Ca 0.10 -0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.86 1q4s h TYR 68 Cb 0.62 -0.30 -0.05 0.00 2.00 0.00 0.00 36.73 39.00 1q4s h TYR 68 CO 0.05 0.68 0.07 0.00 -0.00 0.00 0.00 178.16 178.97 1q4s h ALA 70 N 1.29 0.92 -0.05 0.00 0.00 -0.69 -0.24 119.26 120.49 1q4s h ALA 70 Ca 0.18 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1q4s h ALA 70 Cb 0.21 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1q4s h ALA 70 CO -0.24 0.63 0.02 1.25 0.00 0.00 0.00 179.25 180.92 1q4s h LEU 71 N 0.85 0.07 -0.71 0.00 5.85 -0.70 -1.42 115.31 119.25 1q4s h LEU 71 Ca 0.15 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1q4s h LEU 71 Cb 0.56 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1q4s h LEU 71 CO 0.03 0.21 0.28 0.00 -0.34 0.00 0.00 178.44 178.62 1q4s h ALA 72 N 0.86 0.92 0.31 1.25 0.00 -1.22 -0.88 119.26 120.51 1q4s h ALA 72 Ca 0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1q4s h ALA 72 Cb 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1q4s h ALA 72 CO -0.00 0.55 -0.28 1.49 0.00 0.00 0.00 179.25 181.01 1q4s h GLU 73 N 1.02 -0.58 -0.52 0.00 4.57 -0.84 -1.10 114.58 117.12 1q4s h GLU 73 Ca 0.24 0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.44 1q4s h GLU 73 Cb 0.22 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 1q4s h GLU 73 CO -0.02 -0.39 0.25 1.98 -1.18 0.00 0.00 179.01 179.66 1q4s h MET 74 N -0.61 0.75 0.08 1.92 4.05 -1.14 -1.24 114.93 118.74 1q4s h MET 74 Ca -0.02 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 1q4s h MET 74 Cb 0.55 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 1q4s h MET 74 CO -0.04 0.61 -0.09 1.25 0.23 0.00 0.00 176.91 178.87 1q4s h LEU 75 N 0.69 -0.23 -0.54 3.39 5.85 -1.03 0.59 115.31 124.04 1q4s h LEU 75 Ca 0.18 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 1q4s h LEU 75 Cb 0.11 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1q4s h LEU 75 CO -0.02 -0.14 0.18 0.00 -0.34 0.00 0.00 178.44 178.11 1q4s h ALA 76 N 0.71 0.71 0.23 1.25 0.00 -1.18 -0.48 119.26 120.50 1q4s h ALA 76 Ca 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1q4s h ALA 76 Cb 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1q4s h ALA 76 CO -0.03 0.36 -0.11 1.15 0.00 0.00 0.00 179.25 180.62 1q4s h THR 77 N 0.75 0.83 -0.60 0.00 2.02 -1.11 -2.76 112.91 112.05 1q4s h THR 77 Ca 0.18 -0.73 0.07 0.00 0.77 0.00 0.00 66.41 66.69 1q4s h THR 77 Cb 0.27 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 1q4s h THR 77 CO -0.01 0.15 0.40 -0.33 0.37 0.00 0.00 175.52 176.10 1q4s h GLU 78 N -0.70 0.54 0.00 6.66 4.39 0.23 -0.04 114.58 125.66 1q4s h GLU 78 Ca -0.03 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 1q4s h GLU 78 Cb 0.48 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1q4s h GLU 78 CO 0.05 0.36 -0.21 0.00 -1.16 0.00 0.00 179.01 178.05 1q4s h ALA 79 N 1.68 1.14 0.05 3.43 0.00 -1.04 -0.46 119.26 124.06 1q4s h ALA 79 Ca 0.26 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1q4s h ALA 79 Cb 0.32 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1q4s h ALA 79 CO -0.08 0.26 -0.48 1.15 0.00 0.00 0.00 179.25 180.10 1q4s h THR 80 N 0.00 1.55 -0.73 0.00 2.02 -0.76 -3.29 112.91 111.69 1q4s h THR 80 Ca -0.00 -2.24 0.09 0.00 0.77 0.00 0.00 66.41 65.03 1q4s h THR 80 Cb 0.58 2.98 -0.07 0.00 -1.74 0.00 0.00 68.15 69.90 1q4s h THR 80 CO 0.03 0.62 0.38 0.58 0.37 0.00 0.00 175.52 177.50 1q4s h VAL 81 N -0.45 0.86 -1.09 3.16 2.07 -0.85 -0.33 116.25 119.61 1q4s h VAL 81 Ca -0.07 -0.22 0.30 0.00 0.82 0.00 0.00 66.70 67.53 1q4s h VAL 81 Cb 1.29 0.17 -0.09 0.00 -1.52 0.00 0.00 31.29 31.14 1q4s h VAL 81 CO 0.09 0.12 0.72 0.00 0.02 0.00 0.00 177.57 178.52 1q4s h ALA 82 N 1.43 2.48 0.01 1.67 0.00 -1.16 -0.27 119.26 123.42 1q4s h ALA 82 Ca 0.36 0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.98 1q4s h ALA 82 Cb 0.37 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1q4s h ALA 82 CO -0.27 -0.89 -1.80 0.28 0.00 0.00 0.00 179.25 176.57 1q4s n VAL 83 N -4.53 1.55 0.43 0.00 0.31 -0.26 -4.61 118.33 111.22 1q4s n VAL 83 Ca 0.26 -0.22 0.12 0.00 -0.01 0.00 0.00 64.34 64.50 1q4s n VAL 83 Cb 1.01 -1.94 0.27 0.00 -0.91 0.00 0.00 33.84 32.27 1q4s n VAL 83 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 1q4s h VAL 84 N -0.87 0.00 0.40 2.52 -1.51 -1.00 -3.36 116.25 112.44 1q4s h VAL 84 Ca -0.49 -0.72 -0.02 0.00 -1.23 0.00 0.00 66.70 64.25 1q4s h VAL 84 Cb 1.49 1.66 -0.00 0.00 -2.13 0.00 0.00 31.29 32.31 1q4s h VAL 84 CO -0.26 0.00 -0.23 -0.74 -1.23 0.00 0.00 177.57 175.12 1q4s h HIS 85 N 0.00 -0.60 0.00 5.19 6.17 -1.15 0.05 115.15 124.82 1q4s h HIS 85 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 1q4s h HIS 85 Cb 0.86 0.21 0.00 0.00 2.52 0.00 0.00 27.41 31.00 1q4s h HIS 85 CO 0.00 -0.36 0.13 -0.85 0.71 0.00 0.00 177.93 177.56 1q4s n GLU 86 N -5.36 0.06 -0.82 5.26 0.28 -1.26 -0.22 120.64 118.58 1q4s n GLU 86 Ca -0.11 0.50 0.07 0.00 -0.16 0.00 0.00 57.16 57.46 1q4s n GLU 86 Cb 0.27 -1.81 0.39 0.00 1.43 0.00 0.00 31.44 31.71 1q4s n GLU 86 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1q4s n LYS 87 N -1.77 4.58 -1.02 3.44 5.02 -0.04 -4.91 118.16 123.46 1q4s n LYS 87 Ca -0.01 -3.04 -0.01 0.00 -2.02 0.00 0.00 58.31 53.24 1q4s n LYS 87 Cb 0.14 -2.17 -0.00 0.00 -0.02 0.00 0.00 35.03 32.97 1q4s n LYS 87 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q4s n GLY 88 N 0.74 0.48 3.53 0.72 0.00 0.69 -4.96 105.19 106.39 1q4s n GLY 88 Ca 0.27 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 1q4s n GLY 88 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1q4s s MET 89 N -0.79 1.89 0.10 1.61 -1.94 -0.92 0.52 119.30 119.78 1q4s s MET 89 Ca 0.00 -1.56 0.07 0.00 -1.71 0.00 0.00 55.69 52.49 1q4s s MET 89 Cb 0.00 -1.95 -0.04 0.00 2.01 0.00 0.00 34.83 34.85 1q4s s MET 89 CO 0.00 0.37 -0.11 0.00 -0.01 0.00 0.00 175.02 175.26 1q4s s MET 90 N -3.33 2.09 -0.05 2.03 0.23 0.67 -3.82 119.30 117.12 1q4s s MET 90 Ca 0.28 -1.04 0.03 0.00 -1.03 0.00 0.00 55.69 53.93 1q4s s MET 90 Cb -0.06 -2.28 0.01 0.00 -1.53 0.00 0.00 34.83 30.96 1q4s s MET 90 CO 0.16 0.51 -0.12 0.00 -2.03 0.00 0.00 175.02 173.53 1q4s s ALA 91 N -1.20 1.20 0.01 3.16 0.00 -1.26 -0.37 121.76 123.29 1q4s s ALA 91 Ca 0.21 -0.43 -0.05 0.00 0.00 0.00 0.00 51.96 51.69 1q4s s ALA 91 Cb -0.11 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 1q4s s ALA 91 CO 0.13 0.15 0.08 0.14 0.00 0.00 0.00 175.76 176.25 1q4s s VAL 92 N 0.46 0.10 0.36 0.00 -7.23 -0.75 -4.94 120.40 108.40 1q4s s VAL 92 Ca -0.10 -0.80 -0.28 0.00 -1.81 0.00 0.00 61.98 58.99 1q4s s VAL 92 Cb -0.13 -0.42 -0.10 0.00 0.56 0.00 0.00 36.38 36.29 1q4s s VAL 92 CO 0.03 -0.44 1.35 -0.83 -0.31 0.00 0.00 175.10 174.90 1q4s s GLY 93 N -1.48 2.97 -0.04 2.32 0.00 -1.26 -0.01 107.32 109.82 1q4s s GLY 93 Ca -0.14 1.33 0.04 0.00 0.00 0.00 0.00 44.72 45.95 1q4s s GLY 93 CO 0.00 1.97 0.02 0.61 0.00 0.00 0.00 173.10 175.70 1q4s n GLN 94 N 0.52 3.28 -3.74 2.90 10.64 0.13 -4.74 117.38 126.37 1q4s n GLN 94 Ca 0.01 -0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.05 1q4s n GLN 94 Cb 0.42 -1.11 -0.11 0.00 -0.86 0.00 0.00 30.24 28.58 1q4s n GLN 94 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1q4s s SER 95 N -3.52 -0.38 -0.20 2.61 0.15 -1.04 -5.01 113.70 106.31 1q4s s SER 95 Ca -0.02 0.73 -0.03 0.00 0.70 0.00 0.00 55.95 57.33 1q4s s SER 95 Cb 0.01 0.71 0.06 0.00 -1.71 0.00 0.00 66.02 65.10 1q4s s SER 95 CO 0.18 -0.14 0.05 0.21 1.20 0.00 0.00 173.24 174.74 1q4s s ASN 96 N 0.43 2.89 -0.34 5.45 3.84 -1.26 -0.65 114.94 125.31 1q4s s ASN 96 Ca -0.02 -0.84 -0.01 0.00 0.21 0.00 0.00 52.86 52.19 1q4s s ASN 96 Cb -0.04 -0.54 0.08 0.00 -0.55 0.00 0.00 41.25 40.20 1q4s s ASN 96 CO -0.02 -0.32 0.08 -2.28 -2.79 0.00 0.00 177.10 171.76 1q4s s HIS 97 N 1.90 3.44 -0.14 0.43 5.65 -0.77 -4.97 115.29 120.83 1q4s s HIS 97 Ca 0.00 -2.22 -0.04 0.00 0.25 0.00 0.00 55.06 53.05 1q4s s HIS 97 Cb -0.17 -2.61 -0.03 0.00 -1.18 0.00 0.00 32.58 28.59 1q4s s HIS 97 CO -0.10 -0.88 -0.01 0.99 -0.65 0.00 0.00 174.74 174.09 1q4s s THR 98 N 1.16 4.19 -0.08 0.89 2.01 -1.26 -0.46 115.64 122.09 1q4s s THR 98 Ca 0.02 -0.26 0.04 0.00 0.31 0.00 0.00 61.69 61.80 1q4s s THR 98 Cb -0.21 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.47 1q4s s THR 98 CO -0.03 0.51 -0.23 -0.44 -0.69 0.00 0.00 174.62 173.75 1q4s s SER 99 N 0.04 3.23 -0.29 3.53 0.01 0.25 -4.98 113.70 115.50 1q4s s SER 99 Ca 0.02 -0.49 -0.09 0.00 1.31 0.00 0.00 55.95 56.69 1q4s s SER 99 Cb -0.13 -1.15 -0.02 0.00 0.21 0.00 0.00 66.02 64.94 1q4s s SER 99 CO 0.02 0.21 0.14 -0.36 0.41 0.00 0.00 173.24 173.66 1q4s s PHE 100 N 0.06 3.17 -0.18 2.43 0.40 -1.26 -1.05 117.98 121.55 1q4s s PHE 100 Ca -0.10 -0.44 0.13 0.00 -0.60 0.00 0.00 56.93 55.93 1q4s s PHE 100 Cb -0.15 -2.34 -0.20 0.00 0.51 0.00 0.00 43.02 40.84 1q4s s PHE 100 CO 0.06 -0.39 0.02 1.19 0.70 0.00 0.00 175.22 176.79 1q4s n PHE 101 N 4.98 0.00 -3.65 0.36 3.72 0.36 -4.99 117.46 118.25 1q4s n PHE 101 Ca -0.14 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.14 1q4s n PHE 101 Cb 0.50 -0.85 -0.08 0.00 -0.94 0.00 0.00 39.48 38.11 1q4s n PHE 101 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1q4s s ARG 102 N -2.42 0.73 0.73 -1.08 3.52 -0.49 -5.00 118.95 114.93 1q4s s ARG 102 Ca -0.12 0.99 -0.11 0.00 -0.13 0.00 0.00 55.73 56.36 1q4s s ARG 102 Cb 0.05 0.28 0.03 0.00 -1.56 0.00 0.00 34.95 33.76 1q4s s ARG 102 CO 0.67 -0.11 1.07 -1.25 -0.81 0.00 0.00 175.30 174.87 1q4s s PRO 103 N 0.76 2.68 -0.08 5.12 0.04 -1.26 -4.57 135.00 137.69 1q4s s PRO 103 Ca -0.03 0.89 0.02 0.00 0.04 0.00 0.00 61.00 61.92 1q4s s PRO 103 Cb -0.05 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.54 1q4s s PRO 103 CO -0.06 -1.27 -0.14 0.08 0.04 0.00 0.00 177.00 175.66 1q4s s VAL 104 N -3.06 1.29 -0.23 -0.36 1.01 -1.26 -5.03 120.40 112.75 1q4s s VAL 104 Ca 0.59 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 62.08 1q4s s VAL 104 Cb -0.14 -1.17 -0.20 0.00 0.00 0.00 0.00 36.38 34.87 1q4s s VAL 104 CO 0.55 0.39 -0.10 0.29 0.00 0.00 0.00 175.10 176.23 1q4s n LYS 105 N 3.90 0.67 -3.86 2.72 5.02 -1.26 -0.25 118.16 125.09 1q4s n LYS 105 Ca -0.21 0.11 -0.08 0.00 -2.02 0.00 0.00 58.31 56.11 1q4s n LYS 105 Cb 0.52 -1.53 -0.01 0.00 -0.02 0.00 0.00 35.03 33.98 1q4s n LYS 105 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1q4s s GLU 106 N -2.51 1.86 0.00 1.97 -1.05 -1.26 -4.74 118.70 112.97 1q4s s GLU 106 Ca -0.27 -1.11 0.00 0.00 -0.15 0.00 0.00 54.97 53.45 1q4s s GLU 106 Cb 0.08 0.60 0.00 0.00 -0.44 0.00 0.00 34.13 34.37 1q4s s GLU 106 CO 0.68 -0.85 0.00 0.41 0.95 0.00 0.00 175.26 176.44 1q4s n GLY 107 N -0.47 0.74 3.17 -3.83 0.00 -1.26 -4.87 105.19 98.66 1q4s n GLY 107 Ca -0.05 -1.26 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 1q4s n GLY 107 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1q4s s HIS 108 N 0.00 0.92 -0.10 1.61 3.76 -1.26 0.13 115.29 120.35 1q4s s HIS 108 Ca 0.00 -1.20 0.01 0.00 -0.15 0.00 0.00 55.06 53.73 1q4s s HIS 108 Cb 0.00 -0.52 0.02 0.00 1.11 0.00 0.00 32.58 33.19 1q4s s HIS 108 CO 0.00 -0.46 -0.12 0.08 -0.85 0.00 0.00 174.74 173.38 1q4s s VAL 109 N -3.98 1.26 -0.11 -0.90 1.01 -0.80 -3.97 120.40 112.92 1q4s s VAL 109 Ca 0.24 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1q4s s VAL 109 Cb 0.07 -1.18 -0.00 0.00 0.00 0.00 0.00 36.38 35.27 1q4s s VAL 109 CO 0.02 0.39 -0.22 -0.13 0.00 0.00 0.00 175.10 175.16 1q4s s ARG 110 N 1.07 3.09 0.06 2.72 0.52 0.03 -2.08 118.95 124.36 1q4s s ARG 110 Ca -0.06 -0.85 0.06 0.00 -0.52 0.00 0.00 55.73 54.35 1q4s s ARG 110 Cb -0.15 -2.36 -0.04 0.00 0.52 0.00 0.00 34.95 32.93 1q4s s ARG 110 CO -0.02 0.16 -0.11 0.00 0.02 0.00 0.00 175.30 175.35 1q4s s ALA 111 N 0.41 2.89 -0.09 2.13 0.00 0.39 -0.43 121.76 127.06 1q4s s ALA 111 Ca -0.16 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 50.62 1q4s s ALA 111 Cb -0.17 -0.93 0.03 0.00 0.00 0.00 0.00 23.12 22.04 1q4s s ALA 111 CO 0.07 0.62 -0.02 -2.00 0.00 0.00 0.00 175.76 174.43 1q4s s GLU 112 N -1.80 0.91 -0.22 0.00 2.12 0.47 -1.83 118.70 118.35 1q4s s GLU 112 Ca 0.19 -0.02 -0.08 0.00 0.36 0.00 0.00 54.97 55.41 1q4s s GLU 112 Cb -0.11 -1.20 -0.04 0.00 0.26 0.00 0.00 34.13 33.04 1q4s s GLU 112 CO 0.10 -0.30 0.09 0.00 -0.54 0.00 0.00 175.26 174.61 1q4s s ALA 113 N 1.88 3.37 -0.26 6.30 0.00 0.13 -0.86 121.76 132.34 1q4s s ALA 113 Ca 0.05 -0.90 -0.00 0.00 0.00 0.00 0.00 51.96 51.11 1q4s s ALA 113 Cb -0.12 -2.06 0.04 0.00 0.00 0.00 0.00 23.12 20.98 1q4s s ALA 113 CO -0.06 -0.11 -0.07 0.08 0.00 0.00 0.00 175.76 175.59 1q4s s VAL 114 N 0.91 2.62 0.10 0.00 1.01 -0.11 -0.86 120.40 124.08 1q4s s VAL 114 Ca 0.05 -1.27 -0.31 0.00 0.00 0.00 0.00 61.98 60.45 1q4s s VAL 114 Cb -0.14 -2.41 -0.08 0.00 0.00 0.00 0.00 36.38 33.75 1q4s s VAL 114 CO 0.03 0.10 1.53 -0.60 0.00 0.00 0.00 175.10 176.16 1q4s s ARG 115 N 1.24 4.24 -0.02 2.72 3.52 -0.32 -0.91 118.95 129.44 1q4s s ARG 115 Ca -0.03 2.23 0.08 0.00 -0.13 0.00 0.00 55.73 57.88 1q4s s ARG 115 Cb -0.18 -3.36 -0.12 0.00 -1.56 0.00 0.00 34.95 29.73 1q4s s ARG 115 CO -0.05 -0.60 0.16 0.44 -0.81 0.00 0.00 175.30 174.44 1q4s n ILE 116 N 4.27 0.05 -3.67 4.11 -5.35 -0.11 -4.94 119.36 113.73 1q4s n ILE 116 Ca 0.14 -0.19 -0.14 0.00 -0.27 0.00 0.00 62.75 62.29 1q4s n ILE 116 Cb 0.41 0.20 -0.08 0.00 -1.74 0.00 0.00 39.64 38.43 1q4s n ILE 116 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1q4s s HIS 117 N -2.51 -0.64 -0.45 4.28 5.04 -1.12 -4.97 115.29 114.93 1q4s s HIS 117 Ca -0.03 1.54 0.03 0.00 -1.54 0.00 0.00 55.06 55.05 1q4s s HIS 117 Cb 0.05 0.23 0.15 0.00 0.04 0.00 0.00 32.58 33.05 1q4s s HIS 117 CO 0.33 -0.33 0.30 0.00 -2.34 0.00 0.00 174.74 172.69 1q4s s ALA 118 N 0.21 1.90 0.70 1.58 0.00 -1.26 -0.37 121.76 124.52 1q4s s ALA 118 Ca -0.01 -2.56 -0.01 0.00 0.00 0.00 0.00 51.96 49.38 1q4s s ALA 118 Cb -0.04 -1.78 0.13 0.00 0.00 0.00 0.00 23.12 21.42 1q4s s ALA 118 CO 0.01 -2.05 0.86 0.41 0.00 0.00 0.00 175.76 174.99 1q4s n GLY 119 N 3.24 0.60 0.15 0.00 0.00 0.18 -4.97 105.19 104.39 1q4s n GLY 119 Ca 0.17 -2.01 -0.03 0.00 0.00 0.00 0.00 46.02 44.15 1q4s n GLY 119 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1q4s h SER 120 N -0.54 0.11 0.00 1.61 0.02 -2.00 -3.33 113.55 109.42 1q4s h SER 120 Ca -0.28 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1q4s h SER 120 Cb 1.04 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1q4s h SER 120 CO 0.30 0.69 -0.14 0.35 -1.14 0.00 0.00 176.83 176.89 1q4s n THR 121 N -3.84 0.00 -3.77 -2.27 -2.24 -1.26 -4.73 114.28 96.16 1q4s n THR 121 Ca -0.02 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.20 1q4s n THR 121 Cb 0.61 0.98 -0.14 0.00 -2.10 0.00 0.00 70.33 69.68 1q4s n THR 121 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1q4s s THR 122 N -1.24 -0.04 -0.02 4.28 2.01 -1.25 0.28 115.64 119.66 1q4s s THR 122 Ca 0.01 0.13 0.06 0.00 0.31 0.00 0.00 61.69 62.20 1q4s s THR 122 Cb 0.02 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 72.28 1q4s s THR 122 CO 0.09 0.05 -0.19 0.26 -0.69 0.00 0.00 174.62 174.14 1q4s s TRP 123 N 0.86 2.53 -0.03 4.92 0.52 -0.25 0.48 118.94 127.98 1q4s s TRP 123 Ca -0.07 -0.28 0.05 0.00 0.02 0.00 0.00 56.10 55.82 1q4s s TRP 123 Cb -0.09 -1.54 -0.01 0.00 -1.15 0.00 0.00 33.47 30.68 1q4s s TRP 123 CO -0.04 0.12 -0.18 0.12 0.02 0.00 0.00 176.95 176.98 1q4s s PHE 124 N -0.73 1.75 -0.02 -1.98 5.36 0.50 -0.35 117.98 122.53 1q4s s PHE 124 Ca 0.12 -0.44 0.03 0.00 -0.96 0.00 0.00 56.93 55.68 1q4s s PHE 124 Cb -0.10 -1.16 -0.00 0.00 -0.34 0.00 0.00 43.02 41.41 1q4s s PHE 124 CO 0.01 -0.12 -0.11 -1.58 -1.46 0.00 0.00 175.22 171.97 1q4s s TRP 125 N -0.16 1.01 -0.29 10.12 0.52 0.23 -0.93 118.94 129.44 1q4s s TRP 125 Ca 0.01 -0.22 -0.13 0.00 0.02 0.00 0.00 56.10 55.77 1q4s s TRP 125 Cb -0.10 -0.68 -0.04 0.00 -1.15 0.00 0.00 33.47 31.50 1q4s s TRP 125 CO 0.01 -0.06 0.30 -0.51 0.02 0.00 0.00 176.95 176.71 1q4s s ASP 126 N -0.06 6.14 -0.09 2.95 1.01 -0.08 -0.96 116.67 125.57 1q4s s ASP 126 Ca 0.01 0.07 0.01 0.00 0.71 0.00 0.00 52.55 53.34 1q4s s ASP 126 Cb -0.06 -2.17 -0.02 0.00 1.01 0.00 0.00 42.92 41.67 1q4s s ASP 126 CO 0.00 -0.16 -0.10 -0.69 0.21 0.00 0.00 175.17 174.44 1q4s s VAL 127 N 1.93 3.42 -0.12 -1.27 1.01 0.47 -0.93 120.40 124.91 1q4s s VAL 127 Ca 0.11 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1q4s s VAL 127 Cb -0.16 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1q4s s VAL 127 CO 0.11 0.56 -0.15 -0.44 0.00 0.00 0.00 175.10 175.18 1q4s s SER 128 N -0.36 3.85 -0.24 3.32 0.01 -0.04 -0.99 113.70 119.26 1q4s s SER 128 Ca 0.04 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.94 1q4s s SER 128 Cb -0.12 -1.54 0.04 0.00 0.21 0.00 0.00 66.02 64.60 1q4s s SER 128 CO 0.02 0.17 -0.11 -0.76 0.41 0.00 0.00 173.24 172.97 1q4s s LEU 129 N 0.31 3.01 0.22 2.44 1.02 -0.41 -0.40 118.68 124.87 1q4s s LEU 129 Ca -0.12 -0.98 0.09 0.00 0.02 0.00 0.00 54.13 53.14 1q4s s LEU 129 Cb -0.16 -1.58 -0.04 0.00 0.02 0.00 0.00 46.19 44.42 1q4s s LEU 129 CO 0.06 -0.12 -0.08 -0.13 0.02 0.00 0.00 176.35 176.10 1q4s s ARG 130 N 1.25 2.08 0.71 1.70 0.52 0.43 -0.99 118.95 124.64 1q4s s ARG 130 Ca -0.01 -1.37 0.02 0.00 -0.52 0.00 0.00 55.73 53.85 1q4s s ARG 130 Cb -0.17 -2.11 0.14 0.00 0.52 0.00 0.00 34.95 33.32 1q4s s ARG 130 CO -0.07 0.40 0.97 -0.40 0.02 0.00 0.00 175.30 176.23 1q4s n ASP 131 N -0.31 1.58 0.27 0.23 5.68 -0.82 -0.79 116.55 122.40 1q4s n ASP 131 Ca -0.09 -2.27 0.18 0.00 -0.50 0.00 0.00 54.79 52.11 1q4s n ASP 131 Cb 0.57 -0.60 0.95 0.00 -1.14 0.00 0.00 41.12 40.89 1q4s n ASP 131 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1q4s h ASP 132 N -0.43 0.00 0.51 -1.12 3.32 -1.90 0.17 116.42 116.97 1q4s h ASP 132 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1q4s h ASP 132 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1q4s h ASP 132 CO 0.37 0.00 -0.19 0.00 -1.72 0.00 0.00 179.24 177.70 1q4s n ALA 133 N -2.21 2.88 -0.46 3.45 0.00 -1.26 -4.90 120.51 118.01 1q4s n ALA 133 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1q4s n ALA 133 Cb 0.22 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1q4s n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q4s n GLY 134 N 1.38 0.76 3.77 0.00 0.00 0.59 -5.05 105.19 106.65 1q4s n GLY 134 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1q4s n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q4s s ARG 135 N -0.54 4.42 -0.57 1.61 0.52 -1.26 -4.75 118.95 118.39 1q4s s ARG 135 Ca 0.00 1.54 -0.28 0.00 -0.52 0.00 0.00 55.73 56.48 1q4s s ARG 135 Cb 0.00 -2.81 0.01 0.00 0.52 0.00 0.00 34.95 32.67 1q4s s ARG 135 CO 0.00 0.08 1.50 -1.17 0.02 0.00 0.00 175.30 175.73 1q4s s LEU 136 N -2.11 3.37 -0.08 2.53 2.96 -1.26 -1.95 118.68 122.14 1q4s s LEU 136 Ca 0.52 0.29 0.16 0.00 -0.22 0.00 0.00 54.13 54.87 1q4s s LEU 136 Cb -0.24 -2.95 -0.22 0.00 0.50 0.00 0.00 46.19 43.27 1q4s s LEU 136 CO 0.30 -1.83 0.47 0.00 -1.32 0.00 0.00 176.35 173.98 1q4s s ALA 138 N -2.70 -1.68 0.06 0.00 0.00 -1.00 -0.48 121.76 115.95 1q4s s ALA 138 Ca -0.06 0.66 0.02 0.00 0.00 0.00 0.00 51.96 52.58 1q4s s ALA 138 Cb 0.08 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 1q4s s ALA 138 CO 0.83 -0.76 -0.08 0.14 0.00 0.00 0.00 175.76 175.90 1q4s s VAL 139 N -3.49 0.63 -0.03 0.00 -7.23 -0.21 -1.29 120.40 108.79 1q4s s VAL 139 Ca 0.03 -1.36 -0.01 0.00 -1.81 0.00 0.00 61.98 58.83 1q4s s VAL 139 Cb -0.01 -0.98 0.03 0.00 0.56 0.00 0.00 36.38 35.98 1q4s s VAL 139 CO -0.10 -0.52 0.07 -0.55 -0.31 0.00 0.00 175.10 173.68 1q4s s SER 140 N -2.05 0.01 -0.36 4.85 0.15 -0.16 -0.58 113.70 115.56 1q4s s SER 140 Ca -0.03 0.12 -0.12 0.00 0.70 0.00 0.00 55.95 56.63 1q4s s SER 140 Cb -0.05 0.01 0.01 0.00 -1.71 0.00 0.00 66.02 64.28 1q4s s SER 140 CO -0.01 -0.13 0.22 -0.44 1.20 0.00 0.00 173.24 174.08 1q4s s SER 141 N 1.09 5.83 -0.22 5.45 0.01 0.39 -0.39 113.70 125.86 1q4s s SER 141 Ca -0.09 -0.72 -0.08 0.00 1.31 0.00 0.00 55.95 56.37 1q4s s SER 141 Cb -0.12 -2.07 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 1q4s s SER 141 CO -0.04 -0.31 0.09 -0.04 0.41 0.00 0.00 173.24 173.35 1q4s s MET 142 N 1.63 3.88 -0.22 12.44 -1.94 -0.14 -1.85 119.30 133.10 1q4s s MET 142 Ca 0.04 -0.37 -0.05 0.00 -1.71 0.00 0.00 55.69 53.60 1q4s s MET 142 Cb -0.18 -3.35 -0.02 0.00 2.01 0.00 0.00 34.83 33.30 1q4s s MET 142 CO 0.08 0.04 -0.01 0.45 -0.01 0.00 0.00 175.02 175.57 1q4s s SER 143 N 1.03 4.56 -0.19 3.03 0.15 0.18 -0.60 113.70 121.86 1q4s s SER 143 Ca 0.05 -0.32 -0.03 0.00 0.70 0.00 0.00 55.95 56.35 1q4s s SER 143 Cb -0.14 -1.79 -0.01 0.00 -1.71 0.00 0.00 66.02 62.37 1q4s s SER 143 CO 0.03 -0.01 -0.07 -0.63 1.20 0.00 0.00 173.24 173.76 1q4s s ILE 144 N 1.46 3.35 0.17 6.45 -1.09 0.53 -0.69 121.20 131.38 1q4s s ILE 144 Ca 0.05 -0.52 -0.30 0.00 -2.23 0.00 0.00 60.65 57.65 1q4s s ILE 144 Cb -0.14 -2.49 -0.07 0.00 -1.58 0.00 0.00 42.46 38.17 1q4s s ILE 144 CO -0.01 0.46 0.97 0.00 -1.23 0.00 0.00 174.94 175.13 1q4s s ALA 145 N 1.03 3.29 -0.16 9.38 0.00 0.99 -1.08 121.76 135.21 1q4s s ALA 145 Ca 0.00 0.62 0.01 0.00 0.00 0.00 0.00 51.96 52.59 1q4s s ALA 145 Cb -0.15 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1q4s s ALA 145 CO -0.00 0.05 -0.19 0.08 0.00 0.00 0.00 175.76 175.70 1q4s s VAL 146 N -0.51 2.28 0.03 0.00 1.01 0.14 -1.80 120.40 121.55 1q4s s VAL 146 Ca 0.45 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.46 1q4s s VAL 146 Cb -0.25 -1.94 -0.00 0.00 0.00 0.00 0.00 36.38 34.19 1q4s s VAL 146 CO 0.31 0.53 0.14 -0.13 0.00 0.00 0.00 175.10 175.95 1q4s s ARG 147 N 0.95 0.62 0.27 2.72 1.81 0.49 -4.47 118.95 121.34 1q4s s ARG 147 Ca -0.03 -0.66 -0.31 0.00 -1.72 0.00 0.00 55.73 53.01 1q4s s ARG 147 Cb -0.15 0.25 -0.12 0.00 -0.45 0.00 0.00 34.95 34.48 1q4s s ARG 147 CO -0.04 -0.16 1.63 -2.30 -0.68 0.00 0.00 175.30 173.75 1q4s n PRO 148 N 0.82 2.72 -1.94 3.54 -0.02 -1.26 0.24 135.00 139.10 1q4s n PRO 148 Ca -0.19 0.97 -0.39 0.00 -2.02 0.00 0.00 63.50 61.87 1q4s n PRO 148 Cb 0.58 -2.77 0.01 0.00 -0.02 0.00 0.00 33.50 31.30 1q4s n PRO 148 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1q4s s ARG 149 N -0.07 3.67 0.09 -0.52 3.52 0.19 -4.59 118.95 121.23 1q4s s ARG 149 Ca 0.67 2.20 -0.18 0.00 -0.13 0.00 0.00 55.73 58.29 1q4s s ARG 149 Cb -0.50 -2.57 -0.07 0.00 -1.56 0.00 0.00 34.95 30.26 1q4s s ARG 149 CO 0.44 -0.76 0.57 1.03 -0.81 0.00 0.00 175.30 175.77 1q4s s ARG 150 N -2.51 4.15 0.00 5.12 0.52 -1.26 -4.99 118.95 119.98 1q4s s ARG 150 Ca 0.62 0.69 0.00 0.00 -0.52 0.00 0.00 55.73 56.52 1q4s s ARG 150 Cb -0.39 -3.17 0.00 0.00 0.52 0.00 0.00 34.95 31.91 1q4s s ARG 150 CO 0.49 0.60 0.46 -0.25 0.02 0.00 0.00 175.30 176.62