#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rwt n PRO 15 N 0.00 1.03 -0.00 4.33 -0.04 -1.26 -3.53 135.00 135.53 1rwt n PRO 15 Ca 0.00 -0.27 0.09 0.00 -0.04 0.00 0.00 63.50 63.27 1rwt n PRO 15 Cb 0.00 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 1rwt n PRO 15 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1rwt n TRP 16 N -0.74 0.00 -4.25 0.54 5.03 -1.26 -0.97 117.44 115.78 1rwt n TRP 16 Ca 0.20 0.00 -0.14 0.00 3.03 0.00 0.00 57.50 60.59 1rwt n TRP 16 Cb 0.22 -0.11 -0.10 0.00 -1.03 0.00 0.00 31.31 30.29 1rwt n TRP 16 CO 0.00 0.00 0.00 0.71 -0.03 0.00 0.00 177.69 178.37 1rwt s TYR 17 N -2.82 1.29 0.00 -5.99 2.02 -1.23 -4.66 117.35 105.95 1rwt s TYR 17 Ca 0.03 -1.16 0.00 0.00 -0.37 0.00 0.00 57.07 55.57 1rwt s TYR 17 Cb 0.13 -0.73 0.00 0.00 -0.40 0.00 0.00 41.96 40.96 1rwt s TYR 17 CO 0.74 -0.36 0.00 0.41 -1.57 0.00 0.00 175.55 174.76 1rwt n GLY 18 N -0.31 -1.10 0.11 0.71 0.00 -0.67 -3.92 105.19 100.01 1rwt n GLY 18 Ca -0.03 -1.61 0.12 0.00 0.00 0.00 0.00 46.02 44.50 1rwt n GLY 18 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rwt n PRO 19 N -1.01 0.19 -0.48 1.61 -0.04 -1.26 -3.07 135.00 130.94 1rwt n PRO 19 Ca 0.00 0.34 0.09 0.00 -0.04 0.00 0.00 63.50 63.88 1rwt n PRO 19 Cb 0.00 -1.81 0.30 0.00 -0.04 0.00 0.00 33.50 31.95 1rwt n PRO 19 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1rwt n ASP 20 N -2.15 4.19 -4.73 3.54 8.00 -1.26 -5.00 116.55 119.13 1rwt n ASP 20 Ca 0.03 -2.41 -0.31 0.00 0.71 0.00 0.00 54.79 52.81 1rwt n ASP 20 Cb 0.28 -0.49 0.12 0.00 -0.02 0.00 0.00 41.12 41.01 1rwt n ASP 20 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rwt s ARG 21 N -1.77 1.75 0.62 -1.24 1.70 -1.17 -4.89 118.95 113.94 1rwt s ARG 21 Ca 0.44 1.30 -0.17 0.00 -0.47 0.00 0.00 55.73 56.82 1rwt s ARG 21 Cb 0.28 -1.83 -0.02 0.00 -0.57 0.00 0.00 34.95 32.81 1rwt s ARG 21 CO 0.21 -2.04 1.14 0.14 -1.08 0.00 0.00 175.30 173.67 1rwt s VAL 22 N -2.81 3.01 0.21 4.99 -7.23 -0.14 -5.00 120.40 113.43 1rwt s VAL 22 Ca 0.63 0.55 0.10 0.00 -1.81 0.00 0.00 61.98 61.45 1rwt s VAL 22 Cb -0.19 -3.13 -0.05 0.00 0.56 0.00 0.00 36.38 33.58 1rwt s VAL 22 CO 0.57 -0.22 -0.18 -0.54 -0.31 0.00 0.00 175.10 174.42 1rwt s LYS 23 N -3.69 1.42 0.29 4.82 -0.14 -1.26 -4.48 119.74 116.71 1rwt s LYS 23 Ca 0.71 -1.57 0.22 0.00 -1.36 0.00 0.00 55.97 53.98 1rwt s LYS 23 Cb -0.24 -1.45 1.07 0.00 -1.68 0.00 0.00 37.83 35.54 1rwt s LYS 23 CO 0.36 0.28 1.67 2.48 -0.76 0.00 0.00 175.35 179.37 1rwt n TYR 24 N -0.14 0.75 -0.75 3.18 0.18 -0.37 -1.62 117.16 118.39 1rwt n TYR 24 Ca -0.10 0.35 0.07 0.00 1.88 0.00 0.00 57.90 60.11 1rwt n TYR 24 Cb 0.59 -1.06 0.19 0.00 -0.38 0.00 0.00 39.34 38.67 1rwt n TYR 24 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1rwt n LEU 25 N -2.23 3.17 0.00 -3.48 4.77 -1.26 -5.03 117.00 112.94 1rwt n LEU 25 Ca -0.00 -2.73 0.00 0.00 -0.03 0.00 0.00 56.01 53.25 1rwt n LEU 25 Cb 0.11 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1rwt n LEU 25 CO 0.13 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1rwt n GLY 26 N -0.52 3.64 0.22 -0.72 0.00 -0.64 -1.36 105.19 105.80 1rwt n GLY 26 Ca 0.16 0.12 0.03 0.00 0.00 0.00 0.00 46.02 46.33 1rwt n GLY 26 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1rwt h PRO 27 N 0.00 0.08 -0.16 1.61 0.11 -1.97 -2.88 132.00 128.79 1rwt h PRO 27 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1rwt h PRO 27 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1rwt h PRO 27 CO 0.00 0.32 0.00 1.19 -0.21 0.00 0.00 178.00 179.30 1rwt n PHE 28 N -4.23 0.21 0.03 0.65 3.01 -0.47 -4.42 117.46 112.25 1rwt n PHE 28 Ca -0.02 -0.10 0.22 0.00 1.01 0.00 0.00 57.45 58.56 1rwt n PHE 28 Cb 0.31 0.00 0.72 0.00 -0.01 0.00 0.00 39.48 40.50 1rwt n PHE 28 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1rwt h SER 29 N 1.69 0.00 -0.06 4.37 0.02 -1.50 -3.48 113.55 114.59 1rwt h SER 29 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rwt h SER 29 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1rwt h SER 29 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1rwt n GLY 30 N -1.54 0.83 3.73 -3.77 0.00 -1.26 -4.58 105.19 98.60 1rwt n GLY 30 Ca 0.10 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 1rwt n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rwt s GLU 31 N 0.00 4.67 0.59 1.61 2.12 -1.26 -5.05 118.70 121.38 1rwt s GLU 31 Ca 0.00 1.47 -0.00 0.00 0.36 0.00 0.00 54.97 56.80 1rwt s GLU 31 Cb 0.00 -3.38 0.04 0.00 0.26 0.00 0.00 34.13 31.05 1rwt s GLU 31 CO 0.00 0.16 0.83 -1.54 -0.54 0.00 0.00 175.26 174.17 1rwt s SER 32 N 0.15 5.13 0.27 -1.70 1.04 -1.26 -5.03 113.70 112.31 1rwt s SER 32 Ca 0.48 0.03 -0.30 0.00 0.48 0.00 0.00 55.95 56.64 1rwt s SER 32 Cb -0.23 -0.84 -0.13 0.00 0.10 0.00 0.00 66.02 64.92 1rwt s SER 32 CO 0.30 -1.27 1.44 -2.65 0.98 0.00 0.00 173.24 172.04 1rwt n PRO 33 N -2.47 2.24 0.28 4.02 -0.02 -1.26 -4.86 135.00 132.93 1rwt n PRO 33 Ca 0.09 0.80 0.15 0.00 -2.02 0.00 0.00 63.50 62.51 1rwt n PRO 33 Cb 0.60 -2.48 0.80 0.00 -0.02 0.00 0.00 33.50 32.40 1rwt n PRO 33 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1rwt h SER 34 N 4.08 0.00 0.55 2.55 4.64 -2.00 -1.64 113.55 121.73 1rwt h SER 34 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1rwt h SER 34 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1rwt h SER 34 CO 0.74 0.08 -0.19 0.00 -0.87 0.00 0.00 176.83 176.59 1rwt n TYR 35 N -3.48 0.00 -3.48 4.77 0.18 -1.26 -4.44 117.16 109.45 1rwt n TYR 35 Ca -0.02 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.34 1rwt n TYR 35 Cb 0.22 -0.28 -0.07 0.00 -0.38 0.00 0.00 39.34 38.83 1rwt n TYR 35 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1rwt s LEU 36 N -2.74 5.90 0.00 -3.48 1.43 -0.62 -4.91 118.68 114.26 1rwt s LEU 36 Ca 0.20 -1.99 0.11 0.00 -1.03 0.00 0.00 54.13 51.43 1rwt s LEU 36 Cb 0.19 -2.07 0.27 0.00 0.03 0.00 0.00 46.19 44.60 1rwt s LEU 36 CO 0.55 -0.71 1.17 0.35 0.23 0.00 0.00 176.35 177.94 1rwt n THR 37 N 4.86 0.74 -2.58 5.49 -2.24 -1.26 -4.65 114.28 114.64 1rwt n THR 37 Ca -0.07 -0.87 -0.02 0.00 -2.27 0.00 0.00 64.05 60.82 1rwt n THR 37 Cb 0.41 0.69 0.01 0.00 -2.10 0.00 0.00 70.33 69.34 1rwt n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rwt n GLY 38 N 0.60 0.77 0.12 3.38 0.00 -1.26 -4.37 105.19 104.44 1rwt n GLY 38 Ca 0.11 -0.57 -0.16 0.00 0.00 0.00 0.00 46.02 45.40 1rwt n GLY 38 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1rwt n GLU 39 N -0.98 0.65 -3.98 1.61 2.13 -1.26 -1.66 120.64 117.14 1rwt n GLU 39 Ca -0.00 0.12 -0.28 0.00 0.66 0.00 0.00 57.16 57.66 1rwt n GLU 39 Cb 0.51 -1.49 -0.04 0.00 0.27 0.00 0.00 31.44 30.69 1rwt n GLU 39 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1rwt s PHE 40 N -2.48 3.38 0.34 4.31 0.08 -1.26 -5.02 117.98 117.33 1rwt s PHE 40 Ca -0.29 0.11 -0.29 0.00 0.12 0.00 0.00 56.93 56.58 1rwt s PHE 40 Cb 0.08 -1.64 -0.12 0.00 -0.57 0.00 0.00 43.02 40.77 1rwt s PHE 40 CO 0.59 0.53 1.46 -2.30 -0.10 0.00 0.00 175.22 175.40 1rwt n PRO 41 N -0.23 2.50 -1.06 0.24 -0.02 -1.26 -3.19 135.00 131.99 1rwt n PRO 41 Ca -0.07 0.88 -0.02 0.00 -2.02 0.00 0.00 63.50 62.27 1rwt n PRO 41 Cb 0.53 -2.58 -0.01 0.00 -0.02 0.00 0.00 33.50 31.42 1rwt n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rwt n GLY 42 N 1.05 0.54 3.53 -1.23 0.00 -1.26 -4.98 105.19 102.84 1rwt n GLY 42 Ca 0.05 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 1rwt n GLY 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rwt s ASP 43 N -2.86 6.22 -0.11 1.61 -1.08 -1.19 -4.77 116.67 114.48 1rwt s ASP 43 Ca 0.00 -0.71 0.17 0.00 -0.52 0.00 0.00 52.55 51.50 1rwt s ASP 43 Cb 0.00 -2.53 0.66 0.00 -1.46 0.00 0.00 42.92 39.58 1rwt s ASP 43 CO 0.00 -1.71 1.57 -1.22 0.52 0.00 0.00 175.17 174.33 1rwt n TYR 44 N 8.97 1.33 -2.06 -5.34 4.02 -1.26 -4.83 117.16 117.99 1rwt n TYR 44 Ca 0.06 -0.64 -0.10 0.00 -0.01 0.00 0.00 57.90 57.21 1rwt n TYR 44 Cb 0.49 -0.24 -0.01 0.00 -0.02 0.00 0.00 39.34 39.56 1rwt n TYR 44 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1rwt n GLY 45 N 0.84 0.13 3.36 2.72 0.00 -1.26 -1.23 105.19 109.75 1rwt n GLY 45 Ca 0.24 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 1rwt n GLY 45 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1rwt s TRP 46 N -2.50 3.23 -0.41 1.61 -0.00 -1.26 -4.47 118.94 115.14 1rwt s TRP 46 Ca 0.00 -0.99 0.06 0.00 -0.00 0.00 0.00 56.10 55.18 1rwt s TRP 46 Cb 0.00 -2.39 0.32 0.00 -0.00 0.00 0.00 33.47 31.40 1rwt s TRP 46 CO 0.00 -0.63 1.24 -3.47 -0.00 0.00 0.00 176.95 174.09 1rwt n ASP 47 N 4.95 -1.92 0.32 5.86 4.64 -1.26 -5.01 116.55 124.14 1rwt n ASP 47 Ca -0.12 -2.80 0.22 0.00 -1.38 0.00 0.00 54.79 50.70 1rwt n ASP 47 Cb 0.46 1.41 1.17 0.00 -1.04 0.00 0.00 41.12 43.12 1rwt n ASP 47 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1rwt h THR 48 N 2.03 0.00 -0.02 5.18 1.35 -2.05 -0.14 112.91 119.27 1rwt h THR 48 Ca -0.24 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1rwt h THR 48 Cb 1.20 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1rwt h THR 48 CO 0.00 0.00 -0.24 0.00 -0.25 0.00 0.00 175.52 175.03 1rwt n ALA 49 N -2.05 3.04 -3.10 6.62 0.00 -1.26 -4.97 120.51 118.80 1rwt n ALA 49 Ca -0.03 -0.58 -0.23 0.00 0.00 0.00 0.00 53.44 52.61 1rwt n ALA 49 Cb 0.07 -0.92 0.03 0.00 0.00 0.00 0.00 19.45 18.63 1rwt n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rwt n GLY 50 N 1.35 -0.52 0.09 0.00 0.00 -0.06 -4.87 105.19 101.18 1rwt n GLY 50 Ca 0.12 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.40 1rwt n GLY 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rwt n LEU 51 N -4.02 0.60 -0.17 0.99 4.77 -1.26 -3.46 117.00 114.45 1rwt n LEU 51 Ca -0.09 0.60 0.09 0.00 -0.03 0.00 0.00 56.01 56.57 1rwt n LEU 51 Cb 0.61 -0.45 0.14 0.00 -2.33 0.00 0.00 43.42 41.39 1rwt n LEU 51 CO 0.49 -0.31 0.53 -1.20 -1.33 0.00 0.00 177.39 175.56 1rwt n SER 52 N -2.10 2.18 -0.18 -1.43 7.64 -1.26 -4.72 113.62 113.75 1rwt n SER 52 Ca 0.04 -3.17 -0.03 0.00 1.01 0.00 0.00 58.87 56.72 1rwt n SER 52 Cb 0.32 -0.44 0.07 0.00 -1.01 0.00 0.00 64.21 63.15 1rwt n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rwt h ALA 53 N 0.15 0.70 -2.15 -0.43 0.00 -1.96 -3.39 119.26 112.18 1rwt h ALA 53 Ca -0.00 0.03 -0.56 0.00 0.00 0.00 0.00 54.91 54.38 1rwt h ALA 53 Cb 1.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1rwt h ALA 53 CO 0.00 -0.08 0.99 0.34 0.00 0.00 0.00 179.25 180.50 1rwt s ASP 54 N -5.50 6.76 0.44 0.00 -1.08 -1.26 -4.90 116.67 111.12 1rwt s ASP 54 Ca -0.13 1.79 0.17 0.00 -0.52 0.00 0.00 52.55 53.87 1rwt s ASP 54 Cb 0.14 -2.54 1.09 0.00 -1.46 0.00 0.00 42.92 40.16 1rwt s ASP 54 CO 0.74 -0.91 1.92 1.55 0.52 0.00 0.00 175.17 178.99 1rwt h PRO 55 N 9.04 0.36 0.01 4.34 0.13 -1.99 -0.45 132.00 143.43 1rwt h PRO 55 Ca -0.31 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1rwt h PRO 55 Cb 1.13 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1rwt h PRO 55 CO 0.98 0.24 -0.01 1.49 -0.23 0.00 0.00 178.00 180.47 1rwt h GLU 56 N 0.37 -0.02 -0.55 0.86 4.57 -1.92 -1.99 114.58 115.90 1rwt h GLU 56 Ca 0.37 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.45 1rwt h GLU 56 Cb 0.91 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.48 1rwt h GLU 56 CO -0.11 0.13 -0.07 1.15 -1.18 0.00 0.00 179.01 178.93 1rwt h THR 57 N -0.17 1.27 -1.00 0.32 2.02 -1.76 -2.97 112.91 110.61 1rwt h THR 57 Ca -0.00 -1.21 0.09 0.00 0.77 0.00 0.00 66.41 66.05 1rwt h THR 57 Cb 0.16 0.91 -0.08 0.00 -1.74 0.00 0.00 68.15 67.41 1rwt h THR 57 CO 0.00 0.43 0.64 0.15 0.37 0.00 0.00 175.52 177.12 1rwt h PHE 58 N 0.91 1.18 -0.58 3.16 3.57 -0.96 0.15 116.94 124.36 1rwt h PHE 58 Ca 0.15 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 1rwt h PHE 58 Cb 0.62 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1rwt h PHE 58 CO 0.04 0.55 0.04 0.00 -2.23 0.00 0.00 178.31 176.71 1rwt h ALA 59 N 1.49 0.97 -0.47 2.41 0.00 -1.21 -0.67 119.26 121.78 1rwt h ALA 59 Ca 0.46 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1rwt h ALA 59 Cb 0.31 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1rwt h ALA 59 CO -0.21 0.63 0.08 0.87 0.00 0.00 0.00 179.25 180.62 1rwt h LYS 60 N 0.91 0.78 -0.31 0.00 1.79 -0.97 -2.46 116.57 116.31 1rwt h LYS 60 Ca 0.17 -0.21 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 1rwt h LYS 60 Cb 0.47 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.02 1rwt h LYS 60 CO 0.02 0.79 -0.19 -0.91 -1.08 0.00 0.00 179.45 178.08 1rwt h ASN 61 N 0.65 0.57 -0.43 0.86 2.35 -0.51 -0.98 115.58 118.09 1rwt h ASN 61 Ca 0.14 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 1rwt h ASN 61 Cb 0.38 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1rwt h ASN 61 CO 0.01 0.77 0.13 0.03 -1.65 0.00 0.00 177.43 176.72 1rwt h ARG 62 N 0.52 0.74 -0.12 0.81 3.08 -0.90 0.54 114.38 119.04 1rwt h ARG 62 Ca 0.08 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1rwt h ARG 62 Cb 0.62 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 1rwt h ARG 62 CO 0.04 0.66 -0.17 0.93 -1.07 0.00 0.00 179.97 180.36 1rwt h GLU 63 N 0.72 0.33 -0.61 0.04 5.08 -1.02 -2.19 114.58 116.93 1rwt h GLU 63 Ca 0.16 -0.20 0.07 0.00 -1.00 0.00 0.00 59.36 58.40 1rwt h GLU 63 Cb 0.25 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 1rwt h GLU 63 CO -0.01 0.77 0.30 -0.07 -1.00 0.00 0.00 179.01 179.00 1rwt h LEU 64 N -0.07 0.40 -0.13 1.33 3.38 -0.92 -1.30 115.31 118.00 1rwt h LEU 64 Ca 0.01 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1rwt h LEU 64 Cb 0.73 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1rwt h LEU 64 CO 0.04 0.26 0.08 -0.08 0.09 0.00 0.00 178.44 178.83 1rwt h GLU 65 N 0.55 0.18 -0.39 1.13 4.81 -0.81 -0.53 114.58 119.52 1rwt h GLU 65 Ca 0.29 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.39 1rwt h GLU 65 Cb 0.25 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1rwt h GLU 65 CO -0.22 0.17 -0.21 0.28 -0.73 0.00 0.00 179.01 178.30 1rwt h VAL 66 N 0.15 1.27 -0.33 0.32 2.07 -1.18 0.78 116.25 119.33 1rwt h VAL 66 Ca 0.05 -1.32 -0.05 0.00 0.82 0.00 0.00 66.70 66.20 1rwt h VAL 66 Cb 0.03 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1rwt h VAL 66 CO -0.01 0.44 0.02 0.40 0.02 0.00 0.00 177.57 178.44 1rwt h ILE 67 N 0.68 1.25 -0.84 4.57 1.08 -1.12 -1.34 117.51 121.79 1rwt h ILE 67 Ca 0.10 -0.91 -0.03 0.00 -0.39 0.00 0.00 64.86 63.62 1rwt h ILE 67 Cb 0.72 1.19 -0.04 0.00 -3.07 0.00 0.00 36.82 35.62 1rwt h ILE 67 CO 0.06 0.30 0.40 0.45 -0.69 0.00 0.00 178.15 178.66 1rwt h HIS 68 N 0.39 1.21 -0.24 1.37 3.86 -0.94 -1.78 115.15 119.02 1rwt h HIS 68 Ca 0.10 -0.06 0.05 0.00 -1.16 0.00 0.00 60.37 59.30 1rwt h HIS 68 Cb 0.41 -0.37 -0.05 0.00 1.06 0.00 0.00 27.41 28.45 1rwt h HIS 68 CO 0.03 0.88 -0.11 0.00 0.86 0.00 0.00 177.93 179.59 1rwt h ARG 70 N -0.08 1.04 -0.46 0.00 3.08 -0.98 -1.52 114.38 115.45 1rwt h ARG 70 Ca 0.13 -0.33 -0.13 0.00 0.07 0.00 0.00 59.98 59.72 1rwt h ARG 70 Cb 0.27 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1rwt h ARG 70 CO -0.29 1.02 -0.23 -1.49 -1.07 0.00 0.00 179.97 177.91 1rwt h TRP 71 N 0.95 1.10 -0.03 3.04 4.06 -0.95 -2.56 115.95 121.57 1rwt h TRP 71 Ca 0.17 -0.27 -0.07 0.00 2.06 0.00 0.00 58.89 60.78 1rwt h TRP 71 Cb 0.55 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.45 1rwt h TRP 71 CO 0.04 1.08 -0.31 0.00 -3.56 0.00 0.00 178.44 175.69 1rwt h ALA 72 N 0.90 1.42 -0.03 1.49 0.00 -0.44 0.54 119.26 123.14 1rwt h ALA 72 Ca 0.10 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 1rwt h ALA 72 Cb 0.80 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1rwt h ALA 72 CO 0.07 0.43 -0.55 0.52 0.00 0.00 0.00 179.25 179.71 1rwt h MET 73 N 0.05 0.43 -0.76 0.00 2.86 -1.12 0.16 114.93 116.55 1rwt h MET 73 Ca 0.01 -0.42 -0.05 0.00 -2.06 0.00 0.00 59.70 57.17 1rwt h MET 73 Cb 0.58 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.32 1rwt h MET 73 CO 0.04 1.07 0.26 -0.07 1.06 0.00 0.00 176.91 179.28 1rwt h LEU 74 N -0.06 1.08 -0.42 1.22 3.38 -1.36 -2.65 115.31 116.52 1rwt h LEU 74 Ca -0.06 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1rwt h LEU 74 Cb 1.24 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1rwt h LEU 74 CO 0.11 0.99 0.20 1.23 0.09 0.00 0.00 178.44 181.06 1rwt h GLY 75 N 1.12 0.64 0.98 0.83 0.00 -0.81 -0.13 103.07 105.70 1rwt h GLY 75 Ca 0.25 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1rwt h GLY 75 CO -0.01 0.30 -0.17 0.00 0.00 0.00 0.00 176.54 176.66 1rwt h ALA 76 N 1.05 -0.47 -0.86 3.60 0.00 -0.52 0.74 119.26 122.80 1rwt h ALA 76 Ca 0.14 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1rwt h ALA 76 Cb 0.12 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1rwt h ALA 76 CO -0.02 -0.75 0.56 1.25 0.00 0.00 0.00 179.25 180.29 1rwt h LEU 77 N -0.51 0.93 -0.77 0.00 5.85 -1.47 -2.51 115.31 116.83 1rwt h LEU 77 Ca -0.05 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.56 1rwt h LEU 77 Cb 0.38 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1rwt h LEU 77 CO 0.08 0.65 -0.21 1.23 -0.34 0.00 0.00 178.44 179.85 1rwt h GLY 78 N 1.09 0.77 1.83 3.75 0.00 -0.75 0.14 103.07 109.89 1rwt h GLY 78 Ca 0.34 -0.63 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 1rwt h GLY 78 CO -0.11 0.58 -0.44 0.00 0.00 0.00 0.00 176.54 176.57 1rwt h VAL 80 N 0.16 0.87 -0.53 0.00 2.07 -1.32 -3.37 116.25 114.13 1rwt h VAL 80 Ca 0.01 -2.33 0.08 0.00 0.82 0.00 0.00 66.70 65.29 1rwt h VAL 80 Cb 0.85 2.53 -0.10 0.00 -1.52 0.00 0.00 31.29 33.04 1rwt h VAL 80 CO 0.07 0.68 -0.43 0.15 0.02 0.00 0.00 177.57 178.05 1rwt h PHE 81 N -0.35 -1.27 -0.68 1.57 3.57 -1.09 -1.26 116.94 117.43 1rwt h PHE 81 Ca -0.35 0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.26 1rwt h PHE 81 Cb 1.74 0.63 -0.04 0.00 2.79 0.00 0.00 35.95 41.07 1rwt h PHE 81 CO 0.10 -0.43 0.42 -1.35 -2.23 0.00 0.00 178.31 174.82 1rwt h PRO 82 N -0.26 0.79 -0.06 6.41 0.11 -1.81 -0.94 132.00 136.24 1rwt h PRO 82 Ca 0.17 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 1rwt h PRO 82 Cb 0.57 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1rwt h PRO 82 CO -0.65 0.52 -0.04 1.49 -0.21 0.00 0.00 178.00 179.10 1rwt h GLU 83 N 0.81 0.09 -0.11 1.05 4.81 -1.42 0.46 114.58 120.27 1rwt h GLU 83 Ca 0.28 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.37 1rwt h GLU 83 Cb 0.04 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.41 1rwt h GLU 83 CO -0.12 0.14 -0.44 1.25 -0.73 0.00 0.00 179.01 179.11 1rwt h LEU 84 N 0.09 0.58 -1.15 1.64 5.85 -0.30 -1.82 115.31 120.19 1rwt h LEU 84 Ca 0.02 -0.62 -0.06 0.00 0.84 0.00 0.00 57.88 58.06 1rwt h LEU 84 Cb 0.14 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1rwt h LEU 84 CO 0.01 1.11 -0.07 -0.07 -0.34 0.00 0.00 178.44 179.07 1rwt h LEU 85 N 0.09 0.48 -0.82 2.25 3.38 -0.63 -2.43 115.31 117.64 1rwt h LEU 85 Ca -0.02 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1rwt h LEU 85 Cb 1.07 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1rwt h LEU 85 CO 0.09 0.60 -0.14 0.00 0.09 0.00 0.00 178.44 179.08 1rwt h ALA 86 N 1.45 1.00 0.00 1.53 0.00 -0.84 -1.38 119.26 121.03 1rwt h ALA 86 Ca 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1rwt h ALA 86 Cb 0.42 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1rwt h ALA 86 CO 0.02 0.60 0.00 0.54 0.00 0.00 0.00 179.25 180.41 1rwt n ARG 87 N -4.15 0.66 -0.40 0.00 1.74 -0.69 -2.61 116.66 111.20 1rwt n ARG 87 Ca 0.01 0.01 0.07 0.00 -0.77 0.00 0.00 57.85 57.18 1rwt n ARG 87 Cb 0.38 -1.50 0.14 0.00 -1.02 0.00 0.00 32.46 30.46 1rwt n ARG 87 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1rwt n ASN 88 N -1.06 1.79 0.00 0.55 4.13 -0.70 -5.01 115.26 114.96 1rwt n ASN 88 Ca 0.16 -3.17 0.00 0.00 1.68 0.00 0.00 54.58 53.25 1rwt n ASN 88 Cb 0.10 -0.43 0.00 0.00 -1.54 0.00 0.00 39.78 37.91 1rwt n ASN 88 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1rwt n GLY 89 N -1.04 2.56 3.72 7.41 0.00 -1.07 -5.04 105.19 111.73 1rwt n GLY 89 Ca 0.15 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 1rwt n GLY 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rwt n VAL 90 N 0.00 0.04 -3.33 1.61 0.31 -0.60 -4.95 118.33 111.41 1rwt n VAL 90 Ca 0.00 -0.01 -0.40 0.00 -0.01 0.00 0.00 64.34 63.92 1rwt n VAL 90 Cb 0.00 -2.01 -0.09 0.00 -0.91 0.00 0.00 33.84 30.84 1rwt n VAL 90 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1rwt s LYS 91 N 1.36 3.83 0.30 5.55 3.01 -1.26 -3.99 119.74 128.54 1rwt s LYS 91 Ca 0.76 -0.05 0.09 0.00 -1.01 0.00 0.00 55.97 55.75 1rwt s LYS 91 Cb -0.50 -3.72 -0.04 0.00 -1.01 0.00 0.00 37.83 32.55 1rwt s LYS 91 CO 0.33 -0.44 0.07 -0.06 0.51 0.00 0.00 175.35 175.76 1rwt s PHE 92 N 2.19 2.72 0.13 3.18 0.08 -1.26 -3.86 117.98 121.17 1rwt s PHE 92 Ca 0.16 -0.29 -0.14 0.00 0.12 0.00 0.00 56.93 56.78 1rwt s PHE 92 Cb -0.16 -1.41 -0.00 0.00 -0.57 0.00 0.00 43.02 40.88 1rwt s PHE 92 CO 0.11 0.49 1.60 0.78 -0.10 0.00 0.00 175.22 178.10 1rwt h GLY 93 N 1.72 0.81 -5.83 4.36 0.00 -1.95 -3.42 103.07 98.76 1rwt h GLY 93 Ca -0.44 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 46.28 1rwt h GLY 93 CO 0.62 0.52 -0.33 1.85 0.00 0.00 0.00 176.54 179.20 1rwt s GLU 94 N -5.11 0.41 0.05 4.80 2.56 -1.26 -5.03 118.70 115.12 1rwt s GLU 94 Ca -0.13 1.03 0.21 0.00 0.00 0.00 0.00 54.97 56.08 1rwt s GLU 94 Cb 0.11 0.32 -0.19 0.00 2.00 0.00 0.00 34.13 36.37 1rwt s GLU 94 CO 0.79 -0.36 0.69 0.00 -0.56 0.00 0.00 175.26 175.82 1rwt n ALA 95 N 5.40 2.46 -2.16 6.30 0.00 -1.26 -4.45 120.51 126.80 1rwt n ALA 95 Ca -0.07 -0.50 -0.42 0.00 0.00 0.00 0.00 53.44 52.45 1rwt n ALA 95 Cb 0.50 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 1rwt n ALA 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1rwt s VAL 96 N -3.28 3.49 0.22 0.00 1.01 -1.26 -3.44 120.40 117.14 1rwt s VAL 96 Ca -0.05 1.15 -0.08 0.00 0.00 0.00 0.00 61.98 63.00 1rwt s VAL 96 Cb 0.11 -3.73 0.18 0.00 0.00 0.00 0.00 36.38 32.94 1rwt s VAL 96 CO 0.85 0.13 1.71 4.11 0.00 0.00 0.00 175.10 181.90 1rwt h TRP 97 N 6.08 0.32 0.00 5.22 5.08 -1.91 -0.92 115.95 129.82 1rwt h TRP 97 Ca -0.43 0.04 0.00 0.00 1.08 0.00 0.00 58.89 59.57 1rwt h TRP 97 Cb 1.21 -0.04 0.00 0.00 -3.00 0.00 0.00 29.16 27.33 1rwt h TRP 97 CO 0.64 0.00 0.00 1.97 -1.28 0.00 0.00 178.44 179.78 1rwt n PHE 98 N -5.08 0.00 0.00 0.12 1.16 -1.26 -2.85 117.46 109.55 1rwt n PHE 98 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.69 1rwt n PHE 98 Cb 0.36 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.23 1rwt n PHE 98 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1rwt n LYS 99 N -0.60 4.85 -0.32 3.97 5.02 -0.45 -4.79 118.16 125.84 1rwt n LYS 99 Ca 0.04 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.43 1rwt n LYS 99 Cb 0.02 -0.36 0.31 0.00 -0.02 0.00 0.00 35.03 34.98 1rwt n LYS 99 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rwt h ALA 100 N 0.00 1.68 -0.25 7.82 0.00 -1.12 -2.19 119.26 125.20 1rwt h ALA 100 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1rwt h ALA 100 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1rwt h ALA 100 CO 0.00 0.07 0.17 0.78 0.00 0.00 0.00 179.25 180.27 1rwt h GLY 101 N 0.84 0.32 1.87 0.00 0.00 -1.87 -2.57 103.07 101.66 1rwt h GLY 101 Ca 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1rwt h GLY 101 CO -0.25 0.11 0.00 -1.14 0.00 0.00 0.00 176.54 175.26 1rwt n SER 102 N -4.50 0.00 0.27 0.19 3.41 -0.82 -3.06 113.62 109.11 1rwt n SER 102 Ca 0.01 0.37 0.13 0.00 -0.26 0.00 0.00 58.87 59.12 1rwt n SER 102 Cb 0.10 -0.44 0.79 0.00 -0.26 0.00 0.00 64.21 64.41 1rwt n SER 102 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1rwt h GLN 103 N 0.00 0.00 0.00 4.33 4.20 -1.61 -1.17 115.11 120.86 1rwt h GLN 103 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1rwt h GLN 103 Cb 0.22 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1rwt h GLN 103 CO 0.00 0.07 -0.12 0.97 -0.67 0.00 0.00 178.83 179.08 1rwt h ILE 104 N 0.00 0.46 -0.01 2.54 6.09 -1.78 -1.04 117.51 123.76 1rwt h ILE 104 Ca -0.00 -0.63 0.00 0.00 -1.37 0.00 0.00 64.86 62.86 1rwt h ILE 104 Cb 0.19 1.43 0.00 0.00 0.47 0.00 0.00 36.82 38.91 1rwt h ILE 104 CO 0.01 0.12 -0.15 0.49 -3.07 0.00 0.00 178.15 175.55 1rwt n PHE 105 N -3.48 0.00 -1.18 2.19 3.72 -0.45 -4.70 117.46 113.56 1rwt n PHE 105 Ca -0.01 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.08 1rwt n PHE 105 Cb 0.28 -0.10 0.10 0.00 -0.94 0.00 0.00 39.48 38.83 1rwt n PHE 105 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1rwt s SER 106 N -2.34 4.19 0.16 4.37 0.01 -0.40 -4.95 113.70 114.74 1rwt s SER 106 Ca 0.30 1.94 -0.17 0.00 1.31 0.00 0.00 55.95 59.32 1rwt s SER 106 Cb 0.20 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.97 1rwt s SER 106 CO 0.45 -2.25 1.69 -0.08 0.41 0.00 0.00 173.24 173.46 1rwt h GLU 107 N -1.17 0.04 -0.04 12.44 4.81 -1.91 -2.52 114.58 126.22 1rwt h GLU 107 Ca -0.44 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1rwt h GLU 107 Cb 1.24 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1rwt h GLU 107 CO 0.49 0.03 0.00 0.41 -0.73 0.00 0.00 179.01 179.21 1rwt n GLY 108 N -1.27 0.21 3.70 1.92 0.00 -1.26 -5.06 105.19 103.42 1rwt n GLY 108 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1rwt n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rwt n GLY 109 N 1.20 -1.05 3.28 -0.02 0.00 -0.95 -4.82 105.19 102.84 1rwt n GLY 109 Ca 0.18 -1.56 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 1rwt n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rwt s LEU 110 N 0.00 3.49 -0.25 0.99 0.20 0.18 -4.60 118.68 118.70 1rwt s LEU 110 Ca 0.00 -0.74 -0.04 0.00 0.69 0.00 0.00 54.13 54.04 1rwt s LEU 110 Cb 0.00 -1.78 0.01 0.00 -0.43 0.00 0.00 46.19 43.99 1rwt s LEU 110 CO 0.00 -0.15 -0.02 -1.81 -0.29 0.00 0.00 176.35 174.08 1rwt s ASP 111 N 1.43 4.48 0.22 3.68 1.01 -1.26 -1.18 116.67 125.04 1rwt s ASP 111 Ca 0.02 -0.62 -0.32 0.00 0.71 0.00 0.00 52.55 52.34 1rwt s ASP 111 Cb -0.17 -1.74 -0.14 0.00 1.01 0.00 0.00 42.92 41.88 1rwt s ASP 111 CO -0.01 -0.09 1.42 0.00 0.21 0.00 0.00 175.17 176.70 1rwt n TYR 112 N 4.77 2.13 -2.05 4.23 9.36 -0.68 -0.16 117.16 134.77 1rwt n TYR 112 Ca -0.17 0.42 -0.14 0.00 3.32 0.00 0.00 57.90 61.33 1rwt n TYR 112 Cb 0.49 -2.46 -0.03 0.00 -0.63 0.00 0.00 39.34 36.71 1rwt n TYR 112 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1rwt n LEU 113 N 2.35 -1.22 -0.18 2.98 4.77 -1.26 -0.19 117.00 124.25 1rwt n LEU 113 Ca 0.13 0.22 -0.02 0.00 -0.03 0.00 0.00 56.01 56.31 1rwt n LEU 113 Cb 0.30 -2.25 -0.01 0.00 -2.33 0.00 0.00 43.42 39.14 1rwt n LEU 113 CO 0.63 -0.37 -0.02 0.61 -1.33 0.00 0.00 177.39 176.90 1rwt n GLY 114 N -0.63 0.39 3.51 -0.72 0.00 0.78 -4.77 105.19 103.75 1rwt n GLY 114 Ca -0.16 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1rwt n GLY 114 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rwt s ASN 115 N -2.15 6.20 0.66 1.61 3.84 0.73 -4.94 114.94 120.89 1rwt s ASN 115 Ca 0.00 -0.45 0.25 0.00 0.21 0.00 0.00 52.86 52.87 1rwt s ASN 115 Cb 0.00 -2.22 1.33 0.00 -0.55 0.00 0.00 41.25 39.81 1rwt s ASN 115 CO 0.00 -0.47 1.75 -0.65 -2.79 0.00 0.00 177.10 174.94 1rwt h PRO 116 N 8.60 0.00 -0.05 0.43 0.11 -1.90 0.29 132.00 139.49 1rwt h PRO 116 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1rwt h PRO 116 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1rwt h PRO 116 CO 0.75 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.97 1rwt n SER 117 N -2.90 1.87 -4.18 -2.05 7.64 -1.26 -4.58 113.62 108.16 1rwt n SER 117 Ca -0.00 -1.64 -0.34 0.00 1.01 0.00 0.00 58.87 57.90 1rwt n SER 117 Cb 0.53 -0.02 -0.14 0.00 -1.01 0.00 0.00 64.21 63.57 1rwt n SER 117 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1rwt s LEU 118 N -1.93 3.44 0.00 -3.43 1.43 0.10 -4.89 118.68 113.40 1rwt s LEU 118 Ca 0.35 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 1rwt s LEU 118 Cb 0.20 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.76 1rwt s LEU 118 CO 0.32 -0.18 0.00 0.52 0.23 0.00 0.00 176.35 177.24 1rwt n VAL 119 N 4.63 0.00 -3.78 -1.59 0.31 -1.26 -1.68 118.33 114.96 1rwt n VAL 119 Ca -0.15 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 63.95 1rwt n VAL 119 Cb 0.45 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.40 1rwt n VAL 119 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1rwt n HIS 120 N 0.00 -1.84 -2.17 3.52 -0.00 -0.92 -4.90 115.22 108.91 1rwt n HIS 120 Ca 0.00 0.81 -0.41 0.00 0.46 0.00 0.00 57.72 58.59 1rwt n HIS 120 Cb 0.00 -4.19 -0.02 0.00 -0.12 0.00 0.00 29.99 25.66 1rwt n HIS 120 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1rwt s ALA 121 N -3.75 3.49 0.00 1.57 0.00 -0.33 -4.73 121.76 118.01 1rwt s ALA 121 Ca 0.02 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1rwt s ALA 121 Cb -0.01 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1rwt s ALA 121 CO 0.84 -0.56 0.00 1.04 0.00 0.00 0.00 175.76 177.07 1rwt n GLN 122 N 0.96 2.95 -3.86 0.00 1.13 -1.26 -0.65 117.38 116.66 1rwt n GLN 122 Ca 0.00 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.70 1rwt n GLN 122 Cb 0.42 -0.90 -0.13 0.00 0.11 0.00 0.00 30.24 29.74 1rwt n GLN 122 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1rwt s SER 123 N -2.47 4.66 0.40 1.08 0.15 -1.26 -4.95 113.70 111.31 1rwt s SER 123 Ca 0.00 -0.61 0.17 0.00 0.70 0.00 0.00 55.95 56.21 1rwt s SER 123 Cb 0.00 -1.78 0.86 0.00 -1.71 0.00 0.00 66.02 63.38 1rwt s SER 123 CO 0.00 -0.11 1.85 -0.29 1.20 0.00 0.00 173.24 175.89 1rwt h ILE 124 N 5.86 1.04 -0.44 6.45 6.09 -1.96 -2.14 117.51 132.41 1rwt h ILE 124 Ca -0.35 -1.19 -0.05 0.00 -1.37 0.00 0.00 64.86 61.90 1rwt h ILE 124 Cb 1.14 1.68 -0.02 0.00 0.47 0.00 0.00 36.82 40.09 1rwt h ILE 124 CO 0.59 0.32 0.07 -0.07 -3.07 0.00 0.00 178.15 176.00 1rwt h LEU 125 N 0.00 0.69 -0.13 2.19 3.38 -1.98 0.38 115.31 119.84 1rwt h LEU 125 Ca -0.00 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1rwt h LEU 125 Cb 0.65 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1rwt h LEU 125 CO 0.04 0.77 0.08 0.00 0.09 0.00 0.00 178.44 179.42 1rwt h ALA 126 N 0.94 0.16 -0.09 1.53 0.00 -1.86 0.23 119.26 120.18 1rwt h ALA 126 Ca 0.13 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1rwt h ALA 126 Cb 0.37 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1rwt h ALA 126 CO 0.01 -0.33 -0.11 0.82 0.00 0.00 0.00 179.25 179.63 1rwt h ILE 127 N 0.14 0.69 -0.47 0.00 2.04 -1.25 -1.64 117.51 117.02 1rwt h ILE 127 Ca 0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.93 1rwt h ILE 127 Cb 0.02 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1rwt h ILE 127 CO -0.01 0.00 0.28 -0.25 0.00 0.00 0.00 178.15 178.17 1rwt h TRP 128 N -0.15 0.52 -0.77 1.37 7.01 -0.61 -1.80 115.95 121.51 1rwt h TRP 128 Ca 0.07 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.09 1rwt h TRP 128 Cb 0.25 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 27.11 1rwt h TRP 128 CO -0.22 0.30 0.50 0.00 -2.79 0.00 0.00 178.44 176.23 1rwt h ALA 129 N 1.21 0.98 -0.43 2.65 0.00 -0.22 -2.09 119.26 121.35 1rwt h ALA 129 Ca 0.19 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1rwt h ALA 129 Cb 0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1rwt h ALA 129 CO -0.08 0.41 0.14 0.00 0.00 0.00 0.00 179.25 179.72 1rwt h GLN 131 N 0.56 0.81 -0.39 0.00 4.15 -1.02 -0.04 115.11 119.18 1rwt h GLN 131 Ca 0.14 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.52 1rwt h GLN 131 Cb 0.26 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1rwt h GLN 131 CO -0.00 0.54 0.25 0.28 -1.93 0.00 0.00 178.83 177.97 1rwt h VAL 132 N 0.84 1.09 0.52 2.39 2.07 -1.30 0.96 116.25 122.82 1rwt h VAL 132 Ca 0.25 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1rwt h VAL 132 Cb -0.03 0.53 0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1rwt h VAL 132 CO -0.08 0.09 -0.25 0.40 0.02 0.00 0.00 177.57 177.75 1rwt h ILE 133 N 0.51 0.34 0.01 4.57 1.08 -1.21 -0.88 117.51 121.93 1rwt h ILE 133 Ca 0.14 -0.40 -0.00 0.00 -0.39 0.00 0.00 64.86 64.21 1rwt h ILE 133 Cb -0.05 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 34.17 1rwt h ILE 133 CO -0.04 0.05 -0.01 -0.07 -0.69 0.00 0.00 178.15 177.39 1rwt h LEU 134 N -1.00 -0.01 -0.83 1.44 3.38 -1.02 -1.23 115.31 116.04 1rwt h LEU 134 Ca -0.07 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 1rwt h LEU 134 Cb 0.62 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1rwt h LEU 134 CO 0.12 0.09 -0.14 0.24 0.09 0.00 0.00 178.44 178.83 1rwt h MET 135 N -0.11 0.72 -0.45 1.13 2.86 -0.92 -1.77 114.93 116.39 1rwt h MET 135 Ca -0.00 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.38 1rwt h MET 135 Cb 0.11 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1rwt h MET 135 CO 0.00 0.83 0.23 0.78 1.06 0.00 0.00 176.91 179.81 1rwt h GLY 136 N 0.98 0.68 0.86 8.32 0.00 -1.01 -0.61 103.07 112.29 1rwt h GLY 136 Ca 0.11 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1rwt h GLY 136 CO 0.04 0.31 -0.25 0.00 0.00 0.00 0.00 176.54 176.65 1rwt h ALA 137 N 1.08 -0.69 -0.20 3.60 0.00 -1.01 -0.86 119.26 121.17 1rwt h ALA 137 Ca 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1rwt h ALA 137 Cb 0.09 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1rwt h ALA 137 CO -0.02 -0.82 -0.05 -0.39 0.00 0.00 0.00 179.25 177.97 1rwt h VAL 138 N -0.84 1.16 -0.19 0.00 -1.51 -1.30 0.31 116.25 113.89 1rwt h VAL 138 Ca -0.07 -0.66 -0.14 0.00 -1.23 0.00 0.00 66.70 64.60 1rwt h VAL 138 Cb 0.59 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.81 1rwt h VAL 138 CO 0.12 0.21 -0.49 -0.33 -1.23 0.00 0.00 177.57 175.85 1rwt h GLU 139 N 0.29 0.50 -0.65 5.19 4.39 -1.07 -1.12 114.58 122.11 1rwt h GLU 139 Ca 0.06 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 1rwt h GLU 139 Cb 0.29 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 1rwt h GLU 139 CO 0.01 0.88 0.36 0.78 -1.16 0.00 0.00 179.01 179.88 1rwt h GLY 140 N 1.11 0.97 1.18 -3.84 0.00 0.26 -2.25 103.07 100.51 1rwt h GLY 140 Ca 0.02 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1rwt h GLY 140 CO 0.09 0.42 0.33 -0.97 0.00 0.00 0.00 176.54 176.41 1rwt h TYR 141 N 0.89 1.05 0.00 5.60 0.99 -0.67 0.24 116.97 125.07 1rwt h TYR 141 Ca 0.23 -0.05 -0.02 0.00 2.00 0.00 0.00 58.73 60.88 1rwt h TYR 141 Cb 0.04 -0.33 -0.00 0.00 1.00 0.00 0.00 36.73 37.44 1rwt h TYR 141 CO -0.01 0.78 -0.10 -0.09 -0.00 0.00 0.00 178.16 178.74 1rwt h ARG 142 N 1.04 0.00 0.07 4.88 2.43 -0.64 0.59 114.38 122.76 1rwt h ARG 142 Ca 0.25 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 59.06 1rwt h ARG 142 Cb 0.14 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1rwt h ARG 142 CO -0.03 0.10 -2.03 -0.89 -1.51 0.00 0.00 179.97 175.62 1rwt n ILE 143 N -3.50 1.67 0.35 1.20 2.08 -0.77 -4.63 119.36 115.76 1rwt n ILE 143 Ca -0.01 -0.53 0.04 0.00 0.56 0.00 0.00 62.75 62.81 1rwt n ILE 143 Cb 0.25 -1.72 0.03 0.00 -0.75 0.00 0.00 39.64 37.44 1rwt n ILE 143 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1rwt n ALA 144 N -3.20 2.55 0.00 -1.39 0.00 0.00 -4.95 120.51 113.51 1rwt n ALA 144 Ca -0.36 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.55 1rwt n ALA 144 Cb 0.97 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 20.14 1rwt n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rwt n GLY 145 N 0.56 0.58 0.00 0.00 0.00 0.21 -4.70 105.19 101.84 1rwt n GLY 145 Ca 0.04 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1rwt n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rwt n GLY 146 N 0.72 1.36 0.45 -0.02 0.00 0.23 -4.37 105.19 103.55 1rwt n GLY 146 Ca 0.00 -0.39 0.26 0.00 0.00 0.00 0.00 46.02 45.89 1rwt n GLY 146 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1rwt h PRO 147 N 0.00 0.00 -0.62 1.61 0.11 -2.00 -1.61 132.00 129.49 1rwt h PRO 147 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1rwt h PRO 147 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1rwt h PRO 147 CO 0.00 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.07 1rwt n LEU 148 N -4.18 4.28 0.00 2.35 4.77 -1.26 -5.05 117.00 117.90 1rwt n LEU 148 Ca 0.16 -2.29 0.00 0.00 -0.03 0.00 0.00 56.01 53.85 1rwt n LEU 148 Cb 0.88 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1rwt n LEU 148 CO 0.37 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 177.89 1rwt n GLY 149 N 1.13 2.15 3.96 -0.72 0.00 -0.61 -4.46 105.19 106.64 1rwt n GLY 149 Ca 0.24 -1.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.20 1rwt n GLY 149 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rwt s GLU 150 N -1.51 3.41 -0.66 1.61 0.41 -1.26 -0.60 118.70 120.09 1rwt s GLU 150 Ca 0.00 -0.62 -0.23 0.00 -0.41 0.00 0.00 54.97 53.70 1rwt s GLU 150 Cb 0.00 -2.79 0.06 0.00 -1.78 0.00 0.00 34.13 29.62 1rwt s GLU 150 CO 0.00 0.26 1.01 0.08 -0.49 0.00 0.00 175.26 176.13 1rwt s VAL 151 N -2.14 4.23 0.00 2.63 1.01 -1.26 -4.86 120.40 120.01 1rwt s VAL 151 Ca 0.38 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1rwt s VAL 151 Cb -0.09 -4.71 0.00 0.00 0.00 0.00 0.00 36.38 31.58 1rwt s VAL 151 CO 0.32 -1.49 0.00 0.52 0.00 0.00 0.00 175.10 174.45 1rwt n VAL 152 N 6.02 0.00 -3.64 2.92 0.31 -1.26 -4.86 118.33 117.82 1rwt n VAL 152 Ca -0.02 0.06 -0.38 0.00 -0.01 0.00 0.00 64.34 63.98 1rwt n VAL 152 Cb 0.46 -0.79 -0.11 0.00 -0.91 0.00 0.00 33.84 32.48 1rwt n VAL 152 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1rwt s ASP 153 N -1.32 5.65 0.29 4.52 -1.08 -1.26 -4.99 116.67 118.48 1rwt s ASP 153 Ca 0.00 -0.38 0.03 0.00 -0.52 0.00 0.00 52.55 51.68 1rwt s ASP 153 Cb 0.00 -2.03 0.74 0.00 -1.46 0.00 0.00 42.92 40.17 1rwt s ASP 153 CO 0.00 -0.16 1.64 -0.65 0.52 0.00 0.00 175.17 176.53 1rwt h PRO 154 N 8.36 0.20 0.00 4.34 0.11 -1.94 -2.75 132.00 140.32 1rwt h PRO 154 Ca -0.33 -0.01 -0.29 0.00 0.11 0.00 0.00 66.00 65.48 1rwt h PRO 154 Cb 1.16 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 1rwt h PRO 154 CO 0.60 0.13 -1.68 -0.07 -0.21 0.00 0.00 178.00 176.78 1rwt h LEU 155 N 0.21 0.01 -6.39 2.35 3.38 -1.96 -3.42 115.31 109.48 1rwt h LEU 155 Ca 0.57 -0.02 -0.60 0.00 0.09 0.00 0.00 57.88 57.91 1rwt h LEU 155 Cb 1.17 -0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.49 1rwt h LEU 155 CO -0.66 1.02 -0.62 -1.22 0.09 0.00 0.00 178.44 177.05 1rwt n TYR 156 N -3.07 3.25 0.22 1.13 4.01 -1.04 -4.96 117.16 116.70 1rwt n TYR 156 Ca -0.16 -4.15 -0.17 0.00 -0.16 0.00 0.00 57.90 53.26 1rwt n TYR 156 Cb 1.05 -0.55 -0.09 0.00 -0.31 0.00 0.00 39.34 39.43 1rwt n TYR 156 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1rwt h PRO 157 N 4.47 -0.85 0.00 -0.72 0.11 -1.82 -3.41 132.00 129.79 1rwt h PRO 157 Ca 0.18 0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1rwt h PRO 157 Cb 0.70 0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1rwt h PRO 157 CO 0.78 -0.57 0.00 0.41 -0.21 0.00 0.00 178.00 178.41 1rwt n GLY 158 N -1.53 -0.41 7.00 -0.55 0.00 -1.26 -4.85 105.19 103.59 1rwt n GLY 158 Ca -0.10 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1rwt n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rwt n GLY 159 N 0.00 3.12 0.30 -0.02 0.00 -1.26 0.40 105.19 107.74 1rwt n GLY 159 Ca 0.00 0.28 0.16 0.00 0.00 0.00 0.00 46.02 46.46 1rwt n GLY 159 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1rwt h SER 160 N 0.00 0.00 -0.44 1.61 0.02 -1.92 -1.40 113.55 111.41 1rwt h SER 160 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rwt h SER 160 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1rwt h SER 160 CO 0.00 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.18 1rwt n PHE 161 N -3.76 0.97 -2.85 3.45 3.01 0.16 -4.12 117.46 114.32 1rwt n PHE 161 Ca -0.03 -0.39 -0.11 0.00 1.01 0.00 0.00 57.45 57.93 1rwt n PHE 161 Cb 0.09 -0.16 0.05 0.00 -0.01 0.00 0.00 39.48 39.45 1rwt n PHE 161 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1rwt n ASP 162 N 0.71 -0.44 -0.29 4.37 2.03 -0.53 -4.60 116.55 117.80 1rwt n ASP 162 Ca 0.17 -3.03 0.09 0.00 0.52 0.00 0.00 54.79 52.54 1rwt n ASP 162 Cb 0.61 0.42 0.24 0.00 -0.72 0.00 0.00 41.12 41.67 1rwt n ASP 162 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1rwt h PRO 163 N 2.81 0.51 -0.08 -0.67 0.11 -1.71 0.12 132.00 133.08 1rwt h PRO 163 Ca -0.07 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1rwt h PRO 163 Cb 1.12 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1rwt h PRO 163 CO 0.29 0.34 0.00 1.28 -0.21 0.00 0.00 178.00 179.69 1rwt n LEU 164 N -4.95 0.51 -3.68 2.35 4.77 -1.26 -4.91 117.00 109.84 1rwt n LEU 164 Ca 0.18 -0.24 -0.27 0.00 -0.03 0.00 0.00 56.01 55.65 1rwt n LEU 164 Cb 0.50 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 1rwt n LEU 164 CO 0.18 0.12 -0.05 0.61 -1.33 0.00 0.00 177.39 176.91 1rwt n GLY 165 N 0.77 -0.46 0.25 -0.72 0.00 0.41 -4.80 105.19 100.64 1rwt n GLY 165 Ca 0.09 0.08 0.17 0.00 0.00 0.00 0.00 46.02 46.36 1rwt n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rwt h LEU 166 N -0.94 0.00 -2.29 0.99 3.38 -1.91 -2.33 115.31 112.21 1rwt h LEU 166 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1rwt h LEU 166 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1rwt h LEU 166 CO 0.59 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.12 1rwt n ALA 167 N -1.97 2.39 -0.22 1.53 0.00 -1.26 -4.58 120.51 116.40 1rwt n ALA 167 Ca -0.01 -0.96 0.02 0.00 0.00 0.00 0.00 53.44 52.49 1rwt n ALA 167 Cb 0.14 -0.72 0.14 0.00 0.00 0.00 0.00 19.45 19.00 1rwt n ALA 167 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1rwt h ASP 168 N 3.72 0.16 -3.28 0.00 5.19 -1.80 -3.39 116.42 117.03 1rwt h ASP 168 Ca 0.00 0.10 -0.57 0.00 -0.62 0.00 0.00 57.03 55.94 1rwt h ASP 168 Cb 0.87 0.10 -0.06 0.00 0.18 0.00 0.00 39.33 40.42 1rwt h ASP 168 CO 0.00 0.08 0.85 -0.62 -3.12 0.00 0.00 179.24 176.43 1rwt s ASP 169 N -5.34 6.94 0.21 6.45 2.15 -1.26 -4.95 116.67 120.86 1rwt s ASP 169 Ca -0.13 1.10 -0.19 0.00 0.43 0.00 0.00 52.55 53.76 1rwt s ASP 169 Cb 0.19 -2.54 0.19 0.00 -0.30 0.00 0.00 42.92 40.45 1rwt s ASP 169 CO 0.75 -0.87 1.57 -0.65 -0.17 0.00 0.00 175.17 175.80 1rwt h PRO 170 N 8.08 -0.08 -0.60 4.34 0.11 -1.98 0.32 132.00 142.20 1rwt h PRO 170 Ca -0.21 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.88 1rwt h PRO 170 Cb 1.06 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1rwt h PRO 170 CO 1.03 -0.06 0.25 1.49 -0.21 0.00 0.00 178.00 180.50 1rwt h GLU 171 N -0.09 0.89 -0.74 1.05 4.81 -1.94 0.01 114.58 118.57 1rwt h GLU 171 Ca 0.29 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1rwt h GLU 171 Cb 0.57 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1rwt h GLU 171 CO -0.81 0.75 0.30 0.00 -0.73 0.00 0.00 179.01 178.52 1rwt h ALA 172 N 1.09 0.96 -0.03 2.92 0.00 -1.61 -2.66 119.26 119.93 1rwt h ALA 172 Ca 0.20 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1rwt h ALA 172 Cb 0.19 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1rwt h ALA 172 CO -0.02 0.59 0.02 0.35 0.00 0.00 0.00 179.25 180.19 1rwt h PHE 173 N 1.07 0.04 -0.06 0.00 3.57 0.09 -0.57 116.94 121.07 1rwt h PHE 173 Ca 0.25 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.76 1rwt h PHE 173 Cb 0.21 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 1rwt h PHE 173 CO 0.02 0.06 0.06 0.00 -2.23 0.00 0.00 178.31 176.22 1rwt h ALA 174 N 0.97 1.70 0.02 2.41 0.00 -0.79 -2.07 119.26 121.51 1rwt h ALA 174 Ca 0.01 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1rwt h ALA 174 Cb 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1rwt h ALA 174 CO -0.00 -0.09 -0.59 1.49 0.00 0.00 0.00 179.25 180.05 1rwt h GLU 175 N 0.00 0.05 -0.76 0.00 4.81 -1.10 -3.34 114.58 114.24 1rwt h GLU 175 Ca 0.03 -0.09 0.15 0.00 -0.13 0.00 0.00 59.36 59.32 1rwt h GLU 175 Cb 0.15 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 1rwt h GLU 175 CO -0.00 1.04 0.51 -0.07 -0.73 0.00 0.00 179.01 179.76 1rwt h LEU 176 N -0.87 0.37 -1.34 1.64 3.38 -0.73 0.36 115.31 118.11 1rwt h LEU 176 Ca -0.15 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1rwt h LEU 176 Cb 1.23 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1rwt h LEU 176 CO -0.04 0.19 0.06 0.11 0.09 0.00 0.00 178.44 178.84 1rwt h LYS 177 N 0.39 0.50 -0.22 1.13 1.57 -1.52 -0.91 116.57 117.51 1rwt h LYS 177 Ca 0.37 -0.08 -0.20 0.00 -1.87 0.00 0.00 60.65 58.86 1rwt h LYS 177 Cb 0.89 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.12 1rwt h LYS 177 CO -0.12 0.48 -0.67 0.28 -0.57 0.00 0.00 179.45 178.86 1rwt h VAL 178 N 0.49 1.28 -0.55 0.50 2.07 -1.05 -2.46 116.25 116.52 1rwt h VAL 178 Ca 0.11 -1.86 -0.05 0.00 0.82 0.00 0.00 66.70 65.72 1rwt h VAL 178 Cb 0.23 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1rwt h VAL 178 CO 0.00 0.60 0.13 0.11 0.02 0.00 0.00 177.57 178.42 1rwt h LYS 179 N 0.60 0.85 0.00 1.57 1.57 -0.97 -0.60 116.57 119.59 1rwt h LYS 179 Ca -0.02 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1rwt h LYS 179 Cb 1.28 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1rwt h LYS 179 CO 0.14 0.77 -0.00 1.49 -0.57 0.00 0.00 179.45 181.28 1rwt h GLU 180 N 0.82 -0.00 -0.65 3.15 4.81 -1.11 -0.37 114.58 121.23 1rwt h GLU 180 Ca 0.18 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1rwt h GLU 180 Cb 0.31 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1rwt h GLU 180 CO -0.00 0.18 0.40 0.82 -0.73 0.00 0.00 179.01 179.67 1rwt h ILE 181 N -0.19 1.19 -0.19 2.32 1.08 -1.23 0.37 117.51 120.85 1rwt h ILE 181 Ca -0.00 -0.40 -0.06 0.00 -0.39 0.00 0.00 64.86 64.01 1rwt h ILE 181 Cb 0.19 0.29 -0.00 0.00 -3.07 0.00 0.00 36.82 34.22 1rwt h ILE 181 CO 0.00 0.19 -0.10 0.11 -0.69 0.00 0.00 178.15 177.66 1rwt h LYS 182 N 0.88 0.41 -0.76 2.37 1.57 -1.02 0.24 116.57 120.26 1rwt h LYS 182 Ca 0.23 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1rwt h LYS 182 Cb -0.04 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1rwt h LYS 182 CO -0.04 0.72 0.31 -0.91 -0.57 0.00 0.00 179.45 178.95 1rwt h ASN 183 N 0.10 1.05 -0.53 0.86 2.35 -0.94 -0.94 115.58 117.54 1rwt h ASN 183 Ca 0.04 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.59 1rwt h ASN 183 Cb 0.60 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 1rwt h ASN 183 CO 0.03 0.93 0.21 1.23 -1.65 0.00 0.00 177.43 178.18 1rwt h GLY 184 N 1.10 0.84 1.41 2.83 0.00 -0.04 -0.85 103.07 108.36 1rwt h GLY 184 Ca 0.25 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 47.04 1rwt h GLY 184 CO -0.02 0.43 -0.15 3.21 0.00 0.00 0.00 176.54 180.00 1rwt h ARG 185 N 0.71 0.69 -0.70 4.80 3.08 -0.31 -0.92 114.38 121.73 1rwt h ARG 185 Ca 0.18 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 1rwt h ARG 185 Cb 0.19 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1rwt h ARG 185 CO -0.02 0.81 0.19 1.25 -1.07 0.00 0.00 179.97 181.14 1rwt h LEU 186 N 0.62 1.05 -0.66 3.04 5.85 -0.83 -1.34 115.31 123.04 1rwt h LEU 186 Ca 0.10 -0.22 -0.12 0.00 0.84 0.00 0.00 57.88 58.48 1rwt h LEU 186 Cb 0.61 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1rwt h LEU 186 CO 0.04 1.00 -0.19 0.00 -0.34 0.00 0.00 178.44 178.94 1rwt h ALA 187 N 1.09 0.84 -0.31 1.25 0.00 -0.79 -0.28 119.26 121.07 1rwt h ALA 187 Ca 0.22 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1rwt h ALA 187 Cb 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1rwt h ALA 187 CO -0.00 0.64 -0.05 0.52 0.00 0.00 0.00 179.25 180.35 1rwt h MET 188 N 0.74 0.59 -0.38 0.00 2.86 -0.98 0.31 114.93 118.07 1rwt h MET 188 Ca 0.11 -0.22 0.04 0.00 -2.06 0.00 0.00 59.70 57.57 1rwt h MET 188 Cb 0.72 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 1rwt h MET 188 CO 0.06 0.76 0.15 0.35 1.06 0.00 0.00 176.91 179.29 1rwt h PHE 189 N 0.36 0.27 -0.32 -0.22 3.57 -1.15 -1.22 116.94 118.23 1rwt h PHE 189 Ca 0.08 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.48 1rwt h PHE 189 Cb 0.53 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1rwt h PHE 189 CO 0.05 0.12 -0.27 0.77 -2.23 0.00 0.00 178.31 176.75 1rwt h SER 190 N 0.32 0.68 0.11 0.41 0.02 -0.81 -2.29 113.55 111.99 1rwt h SER 190 Ca 0.17 -0.25 -0.09 0.00 -0.84 0.00 0.00 61.79 60.78 1rwt h SER 190 Cb 0.13 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1rwt h SER 190 CO -0.16 0.92 -0.29 0.24 -1.14 0.00 0.00 176.83 176.41 1rwt h MET 191 N 0.57 0.28 -0.68 3.45 2.86 0.05 0.06 114.93 121.51 1rwt h MET 191 Ca 0.07 -0.10 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 1rwt h MET 191 Cb 0.76 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.37 1rwt h MET 191 CO 0.06 0.55 0.17 0.35 1.06 0.00 0.00 176.91 179.10 1rwt h PHE 192 N 0.25 1.13 -0.13 -0.22 3.57 -0.99 -1.56 116.94 119.00 1rwt h PHE 192 Ca 0.04 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 1rwt h PHE 192 Cb 0.64 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1rwt h PHE 192 CO 0.01 0.92 0.08 0.78 -2.23 0.00 0.00 178.31 177.87 1rwt h GLY 193 N 1.07 0.19 0.44 2.40 0.00 -0.66 -1.79 103.07 104.72 1rwt h GLY 193 Ca 0.22 -0.08 0.10 0.00 0.00 0.00 0.00 47.33 47.56 1rwt h GLY 193 CO 0.00 0.08 0.37 0.74 0.00 0.00 0.00 176.54 177.73 1rwt h PHE 194 N 0.13 0.66 0.27 5.60 0.05 -0.65 0.28 116.94 123.27 1rwt h PHE 194 Ca 0.05 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.85 1rwt h PHE 194 Cb 0.05 -0.18 0.00 0.00 2.00 0.00 0.00 35.95 37.81 1rwt h PHE 194 CO -0.05 0.23 -0.13 0.74 -0.18 0.00 0.00 178.31 178.92 1rwt h PHE 195 N 0.61 -0.33 -0.44 -0.55 0.04 -0.94 -0.36 116.94 114.98 1rwt h PHE 195 Ca 0.37 -0.01 -0.10 0.00 2.80 0.00 0.00 57.97 61.03 1rwt h PHE 195 Cb 0.40 0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 1rwt h PHE 195 CO -0.11 -0.19 -0.12 0.28 -0.60 0.00 0.00 178.31 177.58 1rwt h VAL 196 N -0.39 1.27 -0.38 -0.55 2.07 -1.00 -2.44 116.25 114.84 1rwt h VAL 196 Ca -0.04 -1.24 -0.05 0.00 0.82 0.00 0.00 66.70 66.20 1rwt h VAL 196 Cb 0.29 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1rwt h VAL 196 CO 0.06 0.42 0.04 1.56 0.02 0.00 0.00 177.57 179.67 1rwt h GLN 197 N 0.68 0.57 -0.34 1.57 4.20 -0.41 0.79 115.11 122.18 1rwt h GLN 197 Ca 0.11 -0.11 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 1rwt h GLN 197 Cb 0.67 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1rwt h GLN 197 CO 0.05 0.57 -0.13 0.00 -0.67 0.00 0.00 178.83 178.64 1rwt h ALA 198 N 1.50 0.47 -0.18 3.87 0.00 -0.92 -0.02 119.26 123.97 1rwt h ALA 198 Ca 0.12 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1rwt h ALA 198 Cb 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1rwt h ALA 198 CO 0.01 0.36 -0.00 0.82 0.00 0.00 0.00 179.25 180.44 1rwt h ILE 199 N 0.47 1.25 -0.16 0.00 2.04 -1.02 -1.28 117.51 118.82 1rwt h ILE 199 Ca 0.08 -0.86 -0.10 0.00 1.00 0.00 0.00 64.86 64.98 1rwt h ILE 199 Cb 0.66 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1rwt h ILE 199 CO 0.04 0.26 -0.29 0.58 0.00 0.00 0.00 178.15 178.74 1rwt h VAL 200 N 0.07 1.36 0.00 1.67 2.07 -0.85 -3.38 116.25 117.20 1rwt h VAL 200 Ca 0.05 -1.54 -0.16 0.00 0.82 0.00 0.00 66.70 65.87 1rwt h VAL 200 Cb 0.39 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1rwt h VAL 200 CO 0.01 0.46 -1.95 0.35 0.02 0.00 0.00 177.57 176.47 1rwt n THR 201 N -4.39 0.75 -1.07 2.57 -2.24 -0.03 -4.99 114.28 104.88 1rwt n THR 201 Ca -0.06 -0.66 -0.02 0.00 -2.27 0.00 0.00 64.05 61.03 1rwt n THR 201 Cb 0.47 -0.33 -0.01 0.00 -2.10 0.00 0.00 70.33 68.36 1rwt n THR 201 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rwt n GLY 202 N 1.45 0.53 3.73 3.38 0.00 -0.48 -5.00 105.19 108.80 1rwt n GLY 202 Ca -0.15 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 1rwt n GLY 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rwt s LYS 203 N -1.35 2.19 0.56 1.61 1.02 -1.26 -5.09 119.74 117.41 1rwt s LYS 203 Ca 0.00 -2.41 -0.10 0.00 0.02 0.00 0.00 55.97 53.48 1rwt s LYS 203 Cb 0.00 -1.31 -0.04 0.00 -0.52 0.00 0.00 37.83 35.95 1rwt s LYS 203 CO 0.00 -0.44 0.94 0.20 -0.92 0.00 0.00 175.35 175.13 1rwt s GLY 204 N -3.85 1.68 0.19 -3.33 0.00 -1.26 -4.61 107.32 96.14 1rwt s GLY 204 Ca 0.05 -0.18 -0.12 0.00 0.00 0.00 0.00 44.72 44.47 1rwt s GLY 204 CO 0.03 0.06 1.76 -2.55 0.00 0.00 0.00 173.10 172.40 1rwt h PRO 205 N 0.07 0.40 0.00 2.90 0.11 -1.94 -0.83 132.00 132.71 1rwt h PRO 205 Ca -0.45 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 1rwt h PRO 205 Cb 1.19 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1rwt h PRO 205 CO 0.62 0.27 -0.49 -0.07 -0.21 0.00 0.00 178.00 178.11 1rwt h LEU 206 N 0.41 0.00 -0.58 2.35 3.38 -1.96 -2.13 115.31 116.79 1rwt h LEU 206 Ca 0.25 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.06 1rwt h LEU 206 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1rwt h LEU 206 CO -0.23 0.49 -0.57 -0.08 0.09 0.00 0.00 178.44 178.14 1rwt h GLU 207 N 0.00 0.42 -0.59 1.13 4.81 -1.81 -2.07 114.58 116.47 1rwt h GLU 207 Ca -0.00 -0.27 0.03 0.00 -0.13 0.00 0.00 59.36 58.98 1rwt h GLU 207 Cb 0.87 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.25 1rwt h GLU 207 CO 0.06 0.87 0.35 -0.91 -0.73 0.00 0.00 179.01 178.66 1rwt h ASN 208 N 0.32 0.56 -0.49 1.04 -0.26 -0.70 0.12 115.58 116.16 1rwt h ASN 208 Ca 0.00 0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.70 1rwt h ASN 208 Cb 1.10 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 38.23 1rwt h ASN 208 CO 0.10 0.39 0.12 0.25 -1.06 0.00 0.00 177.43 177.23 1rwt h LEU 209 N 0.69 0.75 -0.17 1.61 5.85 -1.18 -0.84 115.31 122.02 1rwt h LEU 209 Ca 0.24 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1rwt h LEU 209 Cb 0.05 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1rwt h LEU 209 CO -0.11 0.79 0.07 0.00 -0.34 0.00 0.00 178.44 178.85 1rwt h ALA 210 N 0.99 0.22 -0.41 1.25 0.00 -0.92 0.23 119.26 120.62 1rwt h ALA 210 Ca 0.15 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1rwt h ALA 210 Cb 0.33 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1rwt h ALA 210 CO 0.00 -0.20 0.19 -0.44 0.00 0.00 0.00 179.25 178.80 1rwt h ASP 211 N 0.13 0.26 -0.14 0.00 3.32 -0.63 0.98 116.42 120.33 1rwt h ASP 211 Ca 0.06 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.15 1rwt h ASP 211 Cb 0.16 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1rwt h ASP 211 CO -0.01 0.19 0.03 -0.74 -1.72 0.00 0.00 179.24 176.99 1rwt h HIS 212 N 0.38 0.05 0.00 4.55 2.76 -0.91 -1.44 115.15 120.55 1rwt h HIS 212 Ca 0.18 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 1rwt h HIS 212 Cb 0.11 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.06 1rwt h HIS 212 CO -0.11 0.02 -0.07 -0.07 -1.30 0.00 0.00 177.93 176.40 1rwt h LEU 213 N 0.09 0.00 -0.91 0.26 3.38 -0.45 0.53 115.31 118.21 1rwt h LEU 213 Ca 0.06 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1rwt h LEU 213 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1rwt h LEU 213 CO -0.08 0.07 -0.39 0.00 0.09 0.00 0.00 178.44 178.12 1rwt h ALA 214 N 1.93 0.99 -0.56 1.53 0.00 0.28 -3.40 119.26 120.04 1rwt h ALA 214 Ca -0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1rwt h ALA 214 Cb 0.19 -0.06 -0.16 0.00 0.00 0.00 0.00 17.79 17.76 1rwt h ALA 214 CO 0.01 0.49 -0.29 0.34 0.00 0.00 0.00 179.25 179.80 1rwt s ASP 215 N -6.47 -0.81 0.20 0.00 -1.08 -0.74 -5.07 116.67 102.69 1rwt s ASP 215 Ca 0.00 -0.92 -0.19 0.00 -0.52 0.00 0.00 52.55 50.93 1rwt s ASP 215 Cb 0.11 1.06 0.17 0.00 -1.46 0.00 0.00 42.92 42.81 1rwt s ASP 215 CO 0.69 -0.03 1.59 -0.65 0.52 0.00 0.00 175.17 177.29 1rwt h PRO 216 N 4.72 -0.11 0.00 4.34 0.11 -1.16 0.85 132.00 140.75 1rwt h PRO 216 Ca 0.02 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.05 1rwt h PRO 216 Cb 1.15 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1rwt h PRO 216 CO -0.05 -0.07 -0.41 0.28 -0.21 0.00 0.00 178.00 177.54 1rwt h VAL 217 N -0.11 1.18 0.00 3.15 2.07 -1.98 -3.27 116.25 117.29 1rwt h VAL 217 Ca 0.27 -1.45 -0.18 0.00 0.82 0.00 0.00 66.70 66.16 1rwt h VAL 217 Cb 0.55 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1rwt h VAL 217 CO -0.72 0.40 -1.99 0.59 0.02 0.00 0.00 177.57 175.86 1rwt n ASN 218 N -3.89 0.21 -4.14 0.57 3.02 -0.80 -4.67 115.26 105.56 1rwt n ASN 218 Ca -0.01 0.09 -0.38 0.00 -0.03 0.00 0.00 54.58 54.25 1rwt n ASN 218 Cb 0.46 1.18 -0.06 0.00 -0.61 0.00 0.00 39.78 40.74 1rwt n ASN 218 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1rwt s ASN 219 N -5.18 6.02 0.31 6.41 0.01 0.29 -4.75 114.94 118.05 1rwt s ASN 219 Ca -0.07 -3.50 -0.07 0.00 -0.71 0.00 0.00 52.86 48.51 1rwt s ASN 219 Cb 0.10 -1.94 0.00 0.00 0.41 0.00 0.00 41.25 39.82 1rwt s ASN 219 CO 0.85 -0.25 0.49 0.54 -1.51 0.00 0.00 177.10 177.23 1rwt s ASN 220 N 0.27 0.48 0.48 -1.22 2.20 -1.26 -4.17 114.94 111.72 1rwt s ASN 220 Ca 0.25 -1.28 0.23 0.00 -0.94 0.00 0.00 52.86 51.13 1rwt s ASN 220 Cb -0.10 0.65 1.27 0.00 -2.00 0.00 0.00 41.25 41.07 1rwt s ASN 220 CO -0.10 -1.27 1.91 0.00 -2.94 0.00 0.00 177.10 174.70 1rwt h ALA 221 N 2.17 2.45 0.00 3.54 0.00 -1.95 -0.79 119.26 124.68 1rwt h ALA 221 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1rwt h ALA 221 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1rwt h ALA 221 CO 0.39 -0.67 0.05 -1.49 0.00 0.00 0.00 179.25 177.52 1rwt h TRP 222 N 0.19 0.00 0.00 0.00 4.06 -1.96 0.15 115.95 118.39 1rwt h TRP 222 Ca 0.38 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.32 1rwt h TRP 222 Cb 1.22 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.38 1rwt h TRP 222 CO -0.00 0.00 -0.05 -0.97 -3.56 0.00 0.00 178.44 173.86 1rwt h ASN 223 N 0.00 0.00 -0.08 -3.49 -0.00 -1.43 -2.77 115.58 107.82 1rwt h ASN 223 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1rwt h ASN 223 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.41 1rwt h ASN 223 CO 0.00 0.05 0.00 0.49 -0.00 0.00 0.00 177.43 177.97 1rwt n PHE 224 N -3.49 0.09 0.15 0.67 3.01 0.53 -4.74 117.46 113.68 1rwt n PHE 224 Ca -0.02 -0.13 0.16 0.00 1.01 0.00 0.00 57.45 58.47 1rwt n PHE 224 Cb 0.16 -0.01 0.55 0.00 -0.01 0.00 0.00 39.48 40.18 1rwt n PHE 224 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1rwt h ALA 225 N 1.61 2.03 -0.22 4.37 0.00 -1.44 -0.55 119.26 125.06 1rwt h ALA 225 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rwt h ALA 225 Cb 0.43 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1rwt h ALA 225 CO 0.00 -0.85 0.00 0.25 0.00 0.00 0.00 179.25 178.65 1rwt n THR 226 N -3.12 1.20 0.45 0.00 -2.24 -1.26 -4.64 114.28 104.67 1rwt n THR 226 Ca 0.06 -1.18 0.13 0.00 -2.27 0.00 0.00 64.05 60.79 1rwt n THR 226 Cb 0.81 0.37 0.47 0.00 -2.10 0.00 0.00 70.33 69.88 1rwt n THR 226 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1rwt h ASN 227 N 1.29 0.00 -0.55 3.42 4.21 -1.44 -3.26 115.58 119.25 1rwt h ASN 227 Ca 0.00 0.00 -0.40 0.00 1.21 0.00 0.00 56.30 57.11 1rwt h ASN 227 Cb 0.76 0.00 -0.35 0.00 -1.12 0.00 0.00 38.32 37.61 1rwt h ASN 227 CO 0.03 0.00 -0.81 0.49 -1.29 0.00 0.00 177.43 175.84 1rwt n PHE 228 N -2.36 1.97 -2.70 1.19 3.01 -1.26 -5.05 117.46 112.25 1rwt n PHE 228 Ca 0.03 -2.02 -0.42 0.00 1.01 0.00 0.00 57.45 56.05 1rwt n PHE 228 Cb 0.31 -0.30 -0.03 0.00 -0.01 0.00 0.00 39.48 39.45 1rwt n PHE 228 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1rwt s VAL 229 N -4.09 4.82 0.47 -4.37 1.01 -1.23 -5.02 120.40 112.00 1rwt s VAL 229 Ca 0.45 2.04 -0.24 0.00 0.00 0.00 0.00 61.98 64.23 1rwt s VAL 229 Cb 0.39 -4.31 -0.07 0.00 0.00 0.00 0.00 36.38 32.39 1rwt s VAL 229 CO 0.00 0.17 1.37 -2.84 0.00 0.00 0.00 175.10 173.80 1rwt s PRO 230 N 0.95 3.57 0.00 2.72 0.02 -1.26 -5.19 135.00 135.81 1rwt s PRO 230 Ca 0.52 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.81 1rwt s PRO 230 Cb -0.21 -2.53 0.00 0.00 0.02 0.00 0.00 34.50 31.78 1rwt s PRO 230 CO 0.28 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.50