#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 0.95 -0.00 4.33 -0.04 -1.26 -3.22 135.00 135.76 1rwt n PRO 15 Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 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 -0.99 0.00 -4.22 0.54 5.03 -1.26 -1.27 117.44 115.28 1rwt n TRP 16 Ca 0.22 0.00 -0.12 0.00 3.03 0.00 0.00 57.50 60.63 1rwt n TRP 16 Cb 0.10 -0.04 -0.10 0.00 -1.03 0.00 0.00 31.31 30.25 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 -3.03 1.13 0.00 -5.99 2.02 -1.20 -4.68 117.35 105.61 1rwt s TYR 17 Ca 0.07 -1.16 0.00 0.00 -0.37 0.00 0.00 57.07 55.61 1rwt s TYR 17 Cb 0.16 -0.64 0.00 0.00 -0.40 0.00 0.00 41.96 41.08 1rwt s TYR 17 CO 0.87 -0.38 0.00 0.41 -1.57 0.00 0.00 175.55 174.87 1rwt n GLY 18 N -0.23 -1.13 0.04 0.71 0.00 -0.95 -3.90 105.19 99.74 1rwt n GLY 18 Ca -0.04 -1.63 0.06 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.34 0.05 -0.34 1.61 -0.04 -1.26 -2.43 135.00 131.25 1rwt n PRO 19 Ca 0.00 0.40 0.08 0.00 -0.04 0.00 0.00 63.50 63.94 1rwt n PRO 19 Cb 0.00 -1.63 0.22 0.00 -0.04 0.00 0.00 33.50 32.06 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 -1.73 3.49 -4.77 3.54 8.00 -1.26 -5.03 116.55 118.79 1rwt n ASP 20 Ca 0.02 -2.82 -0.31 0.00 0.71 0.00 0.00 54.79 52.38 1rwt n ASP 20 Cb 0.12 -0.46 0.08 0.00 -0.02 0.00 0.00 41.12 40.84 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 -2.47 2.38 0.69 -1.24 1.70 -1.02 -4.89 118.95 114.10 1rwt s ARG 21 Ca 0.36 1.16 -0.15 0.00 -0.47 0.00 0.00 55.73 56.64 1rwt s ARG 21 Cb 0.29 -1.91 0.02 0.00 -0.57 0.00 0.00 34.95 32.77 1rwt s ARG 21 CO 0.09 -1.55 1.16 0.14 -1.08 0.00 0.00 175.30 174.06 1rwt s VAL 22 N -2.87 2.74 0.23 4.99 -7.23 -0.39 -5.01 120.40 112.86 1rwt s VAL 22 Ca 0.61 0.36 0.08 0.00 -1.81 0.00 0.00 61.98 61.23 1rwt s VAL 22 Cb -0.17 -2.91 -0.05 0.00 0.56 0.00 0.00 36.38 33.81 1rwt s VAL 22 CO 0.55 -0.19 -0.14 -0.54 -0.31 0.00 0.00 175.10 174.46 1rwt s LYS 23 N -3.94 1.44 0.61 4.82 -0.14 -1.26 -4.50 119.74 116.77 1rwt s LYS 23 Ca 0.71 -1.66 0.38 0.00 -1.36 0.00 0.00 55.97 54.04 1rwt s LYS 23 Cb -0.25 -1.27 1.98 0.00 -1.68 0.00 0.00 37.83 36.61 1rwt s LYS 23 CO 0.43 0.19 2.23 0.10 -0.76 0.00 0.00 175.35 177.53 1rwt h TYR 24 N 2.45 0.00 -0.31 3.18 -0.00 -1.61 -2.08 116.97 118.59 1rwt h TYR 24 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.34 1rwt h TYR 24 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.96 1rwt h TYR 24 CO 0.73 0.02 0.00 1.28 -0.00 0.00 0.00 178.16 180.19 1rwt n LEU 25 N -3.25 3.19 0.00 0.10 4.77 -1.26 -5.02 117.00 115.54 1rwt n LEU 25 Ca -0.02 -2.30 0.00 0.00 -0.03 0.00 0.00 56.01 53.66 1rwt n LEU 25 Cb 0.15 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1rwt n LEU 25 CO 0.24 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 1rwt n GLY 26 N 0.19 3.77 0.27 -0.72 0.00 -0.78 -2.05 105.19 105.87 1rwt n GLY 26 Ca 0.14 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.19 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 0.21 -0.12 1.61 0.11 -1.97 -2.16 132.00 129.68 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 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 1rwt h PRO 27 CO 0.00 0.19 0.00 1.19 -0.21 0.00 0.00 178.00 179.17 1rwt n PHE 28 N -4.45 0.14 0.30 0.65 3.01 -0.87 -4.33 117.46 111.92 1rwt n PHE 28 Ca -0.01 -0.07 0.13 0.00 1.01 0.00 0.00 57.45 58.51 1rwt n PHE 28 Cb 0.13 0.00 0.72 0.00 -0.01 0.00 0.00 39.48 40.32 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 2.02 0.00 0.00 4.37 0.02 -1.38 -3.47 113.55 115.11 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 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 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 -1.24 0.91 3.70 -3.77 0.00 -1.26 -4.49 105.19 99.05 1rwt n GLY 30 Ca -0.02 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 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 4.35 0.71 1.61 2.12 -1.26 -5.07 118.70 121.16 1rwt s GLU 31 Ca 0.00 0.70 -0.07 0.00 0.36 0.00 0.00 54.97 55.96 1rwt s GLU 31 Cb 0.00 -3.48 0.06 0.00 0.26 0.00 0.00 34.13 30.97 1rwt s GLU 31 CO 0.00 -0.00 1.02 -1.54 -0.54 0.00 0.00 175.26 174.20 1rwt s SER 32 N 0.86 4.80 0.54 -1.70 1.04 -1.26 -5.03 113.70 112.96 1rwt s SER 32 Ca 0.32 0.47 -0.21 0.00 0.48 0.00 0.00 55.95 57.01 1rwt s SER 32 Cb -0.16 -1.11 -0.06 0.00 0.10 0.00 0.00 66.02 64.79 1rwt s SER 32 CO 0.14 -1.61 1.18 -2.65 0.98 0.00 0.00 173.24 171.28 1rwt n PRO 33 N -2.94 1.40 0.04 4.02 -0.02 -1.26 -4.91 135.00 131.34 1rwt n PRO 33 Ca 0.08 0.52 -0.01 0.00 -2.02 0.00 0.00 63.50 62.07 1rwt n PRO 33 Cb 0.60 -2.36 0.28 0.00 -0.02 0.00 0.00 33.50 32.00 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 1.17 0.40 0.29 2.55 4.64 -2.01 -2.79 113.55 117.80 1rwt h SER 34 Ca -0.49 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 1rwt h SER 34 Cb 1.33 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1rwt h SER 34 CO 0.55 0.58 -0.02 0.00 -0.87 0.00 0.00 176.83 177.08 1rwt n TYR 35 N -4.20 0.00 -3.58 4.77 0.18 -1.26 -4.42 117.16 108.65 1rwt n TYR 35 Ca 0.00 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.38 1rwt n TYR 35 Cb 0.33 -0.15 -0.08 0.00 -0.38 0.00 0.00 39.34 39.06 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 -2.31 5.69 -0.10 -3.48 1.43 -1.05 -4.94 118.68 113.92 1rwt s LEU 36 Ca 0.36 -2.20 0.15 0.00 -1.03 0.00 0.00 54.13 51.41 1rwt s LEU 36 Cb 0.21 -1.99 0.53 0.00 0.03 0.00 0.00 46.19 44.98 1rwt s LEU 36 CO 0.42 -0.60 1.45 0.35 0.23 0.00 0.00 176.35 178.20 1rwt n THR 37 N 4.48 1.71 -1.06 5.49 -2.24 -1.26 -4.70 114.28 116.71 1rwt n THR 37 Ca -0.02 -1.34 -0.02 0.00 -2.27 0.00 0.00 64.05 60.41 1rwt n THR 37 Cb 0.41 0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.45 0.55 0.08 3.38 0.00 -1.26 -4.31 105.19 104.07 1rwt n GLY 38 Ca 0.20 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 1rwt n GLY 38 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1rwt h GLU 39 N 0.27 0.07 -6.25 1.61 4.81 -1.92 -2.52 114.58 110.64 1rwt h GLU 39 Ca -0.04 -0.09 -0.57 0.00 -0.13 0.00 0.00 59.36 58.53 1rwt h GLU 39 Cb 0.17 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1rwt h GLU 39 CO 0.06 0.93 -0.25 -0.06 -0.73 0.00 0.00 179.01 178.96 1rwt s PHE 40 N -2.74 3.46 0.32 0.92 0.08 -1.26 -4.98 117.98 113.77 1rwt s PHE 40 Ca -0.17 0.65 -0.29 0.00 0.12 0.00 0.00 56.93 57.23 1rwt s PHE 40 Cb -0.01 -2.08 -0.11 0.00 -0.57 0.00 0.00 43.02 40.24 1rwt s PHE 40 CO 0.71 0.38 1.59 -1.25 -0.10 0.00 0.00 175.22 176.55 1rwt s PRO 41 N -2.72 4.10 0.00 0.24 0.04 -1.26 -2.81 135.00 132.59 1rwt s PRO 41 Ca 0.43 2.61 0.00 0.00 0.04 0.00 0.00 61.00 64.08 1rwt s PRO 41 Cb -0.12 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.42 1rwt s PRO 41 CO 0.24 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 177.05 1rwt n GLY 42 N 1.75 0.74 3.56 0.56 0.00 -1.26 -4.98 105.19 105.55 1rwt n GLY 42 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.75 5.27 -0.07 1.61 -1.08 -1.12 -4.71 116.67 113.83 1rwt s ASP 43 Ca 0.00 -0.46 0.18 0.00 -0.52 0.00 0.00 52.55 51.76 1rwt s ASP 43 Cb 0.00 -2.55 0.63 0.00 -1.46 0.00 0.00 42.92 39.54 1rwt s ASP 43 CO 0.00 -2.56 1.54 -1.22 0.52 0.00 0.00 175.17 173.44 1rwt n TYR 44 N 13.28 1.15 -2.80 -5.34 4.02 -1.26 -4.80 117.16 121.41 1rwt n TYR 44 Ca 0.34 -0.58 -0.12 0.00 -0.01 0.00 0.00 57.90 57.54 1rwt n TYR 44 Cb 0.48 -0.14 0.03 0.00 -0.02 0.00 0.00 39.34 39.69 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 1.11 0.12 3.20 2.72 0.00 -1.26 -1.54 105.19 109.53 1rwt n GLY 45 Ca 0.23 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.97 3.12 -0.39 1.61 -0.00 -1.26 -4.57 118.94 114.47 1rwt s TRP 46 Ca 0.21 -1.61 0.06 0.00 -0.00 0.00 0.00 56.10 54.77 1rwt s TRP 46 Cb -0.09 -2.08 0.31 0.00 -0.00 0.00 0.00 33.47 31.61 1rwt s TRP 46 CO 0.26 -0.74 1.25 -3.47 -0.00 0.00 0.00 176.95 174.25 1rwt n ASP 47 N 4.67 -1.82 0.22 5.86 4.64 -1.26 -4.99 116.55 123.86 1rwt n ASP 47 Ca -0.16 -2.57 0.15 0.00 -1.38 0.00 0.00 54.79 50.83 1rwt n ASP 47 Cb 0.46 1.26 0.79 0.00 -1.04 0.00 0.00 41.12 42.59 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 1.81 0.00 -0.01 5.18 1.35 -2.05 0.23 112.91 119.43 1rwt h THR 48 Ca -0.29 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1rwt h THR 48 Cb 1.23 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1rwt h THR 48 CO -0.04 0.00 -0.54 0.00 -0.25 0.00 0.00 175.52 174.69 1rwt n ALA 49 N -1.87 3.70 -3.70 6.62 0.00 -1.26 -4.97 120.51 119.03 1rwt n ALA 49 Ca -0.02 -0.53 -0.25 0.00 0.00 0.00 0.00 53.44 52.64 1rwt n ALA 49 Cb 0.05 -0.92 0.06 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 1.43 -0.48 0.19 0.00 0.00 0.82 -4.90 105.19 102.25 1rwt n GLY 50 Ca 0.08 0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.42 1rwt n GLY 50 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rwt h LEU 51 N -2.31 0.00 -3.21 0.99 3.38 -1.94 -3.29 115.31 108.93 1rwt h LEU 51 Ca -0.58 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.38 1rwt h LEU 51 Cb 1.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 1rwt h LEU 51 CO 0.59 0.04 -0.00 -1.20 0.09 0.00 0.00 178.44 177.95 1rwt n SER 52 N -3.00 3.52 -0.09 -0.43 7.64 -1.26 -4.64 113.62 115.35 1rwt n SER 52 Ca 0.03 -3.07 0.13 0.00 1.01 0.00 0.00 58.87 56.97 1rwt n SER 52 Cb 0.55 -0.53 0.51 0.00 -1.01 0.00 0.00 64.21 63.74 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 1.41 2.07 -2.74 -0.43 0.00 -1.96 -3.39 119.26 114.22 1rwt h ALA 53 Ca 0.01 -0.01 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 1rwt h ALA 53 Cb 1.37 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 1rwt h ALA 53 CO 0.19 -0.22 0.01 0.34 0.00 0.00 0.00 179.25 179.57 1rwt s ASP 54 N -6.18 6.78 0.27 0.00 -1.08 -1.26 -4.96 116.67 110.23 1rwt s ASP 54 Ca -0.08 0.93 0.01 0.00 -0.52 0.00 0.00 52.55 52.89 1rwt s ASP 54 Cb 0.20 -2.34 0.60 0.00 -1.46 0.00 0.00 42.92 39.91 1rwt s ASP 54 CO 0.75 -0.12 1.74 -0.65 0.52 0.00 0.00 175.17 177.41 1rwt h PRO 55 N 6.98 0.53 -0.01 4.34 0.11 -1.99 0.10 132.00 142.06 1rwt h PRO 55 Ca -0.38 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 1rwt h PRO 55 Cb 1.17 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1rwt h PRO 55 CO 0.76 0.35 -0.00 1.49 -0.21 0.00 0.00 178.00 180.39 1rwt h GLU 56 N 0.54 0.02 -0.71 1.05 4.81 -1.93 -2.04 114.58 116.31 1rwt h GLU 56 Ca 0.49 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.72 1rwt h GLU 56 Cb 0.79 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 1rwt h GLU 56 CO -0.42 0.38 0.45 1.15 -0.73 0.00 0.00 179.01 179.84 1rwt h THR 57 N -0.35 1.20 -0.83 0.32 2.02 -1.81 -2.17 112.91 111.29 1rwt h THR 57 Ca 0.00 -0.40 0.07 0.00 0.77 0.00 0.00 66.41 66.85 1rwt h THR 57 Cb 0.38 0.18 -0.06 0.00 -1.74 0.00 0.00 68.15 66.90 1rwt h THR 57 CO 0.00 0.20 0.50 0.15 0.37 0.00 0.00 175.52 176.74 1rwt h PHE 58 N 0.97 0.92 -0.72 3.16 3.57 -0.77 0.19 116.94 124.27 1rwt h PHE 58 Ca 0.26 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.75 1rwt h PHE 58 Cb -0.06 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.35 1rwt h PHE 58 CO -0.02 0.44 0.29 0.00 -2.23 0.00 0.00 178.31 176.79 1rwt h ALA 59 N 1.41 0.94 -0.50 2.41 0.00 -0.83 -1.15 119.26 121.54 1rwt h ALA 59 Ca 0.38 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1rwt h ALA 59 Cb 0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1rwt h ALA 59 CO -0.20 0.56 -0.01 0.87 0.00 0.00 0.00 179.25 180.47 1rwt h LYS 60 N 1.04 0.88 -0.31 0.00 1.79 -0.62 -2.74 116.57 116.61 1rwt h LYS 60 Ca 0.24 -0.29 -0.07 0.00 -2.18 0.00 0.00 60.65 58.36 1rwt h LYS 60 Cb 0.21 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 1rwt h LYS 60 CO -0.02 0.92 -0.09 -0.91 -1.08 0.00 0.00 179.45 178.28 1rwt h ASN 61 N 0.74 0.49 0.01 0.86 2.35 -0.34 -0.80 115.58 118.90 1rwt h ASN 61 Ca 0.14 -0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 1rwt h ASN 61 Cb 0.53 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1rwt h ASN 61 CO 0.03 0.62 -0.23 0.03 -1.65 0.00 0.00 177.43 176.24 1rwt h ARG 62 N 0.48 0.36 -0.21 0.81 3.08 -1.04 0.14 114.38 118.01 1rwt h ARG 62 Ca 0.09 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1rwt h ARG 62 Cb 0.45 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 1rwt h ARG 62 CO 0.02 0.57 -0.31 0.93 -1.07 0.00 0.00 179.97 180.12 1rwt h GLU 63 N 0.33 0.58 -0.48 0.04 5.08 -1.13 -2.29 114.58 116.70 1rwt h GLU 63 Ca 0.05 -0.34 0.03 0.00 -1.00 0.00 0.00 59.36 58.10 1rwt h GLU 63 Cb 0.58 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 1rwt h GLU 63 CO 0.04 0.95 0.26 -0.07 -1.00 0.00 0.00 179.01 179.19 1rwt h LEU 64 N 0.26 0.40 -0.12 1.33 3.38 -0.79 -2.05 115.31 117.71 1rwt h LEU 64 Ca 0.02 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1rwt h LEU 64 Cb 0.89 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1rwt h LEU 64 CO 0.07 0.28 0.05 -0.08 0.09 0.00 0.00 178.44 178.85 1rwt h GLU 65 N 0.52 0.18 -0.38 1.13 4.81 -0.93 -1.16 114.58 118.76 1rwt h GLU 65 Ca 0.20 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.29 1rwt h GLU 65 Cb 0.07 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1rwt h GLU 65 CO -0.12 0.29 -0.21 0.28 -0.73 0.00 0.00 179.01 178.53 1rwt h VAL 66 N 0.03 1.27 -0.28 0.32 2.07 -1.36 0.29 116.25 118.59 1rwt h VAL 66 Ca 0.04 -1.30 -0.06 0.00 0.82 0.00 0.00 66.70 66.20 1rwt h VAL 66 Cb 0.18 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1rwt h VAL 66 CO -0.00 0.43 -0.06 0.40 0.02 0.00 0.00 177.57 178.36 1rwt h ILE 67 N 0.65 1.28 -0.86 4.57 1.08 -1.36 -1.28 117.51 121.59 1rwt h ILE 67 Ca 0.09 -1.08 -0.01 0.00 -0.39 0.00 0.00 64.86 63.48 1rwt h ILE 67 Cb 0.70 1.41 -0.04 0.00 -3.07 0.00 0.00 36.82 35.82 1rwt h ILE 67 CO 0.05 0.34 0.51 0.45 -0.69 0.00 0.00 178.15 178.81 1rwt h HIS 68 N 0.29 1.15 -0.29 1.37 3.86 -1.02 -1.96 115.15 118.54 1rwt h HIS 68 Ca 0.07 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.33 1rwt h HIS 68 Cb 0.53 -0.37 -0.06 0.00 1.06 0.00 0.00 27.41 28.57 1rwt h HIS 68 CO 0.05 0.77 -0.07 0.00 0.86 0.00 0.00 177.93 179.54 1rwt h ARG 70 N -0.00 0.69 -0.31 0.00 3.08 -0.90 -1.95 114.38 114.98 1rwt h ARG 70 Ca 0.14 -0.22 -0.17 0.00 0.07 0.00 0.00 59.98 59.80 1rwt h ARG 70 Cb 0.22 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1rwt h ARG 70 CO -0.30 0.79 -0.46 -1.49 -1.07 0.00 0.00 179.97 177.43 1rwt h TRP 71 N 0.62 1.06 -0.30 3.04 4.06 -0.96 -2.71 115.95 120.77 1rwt h TRP 71 Ca 0.11 -0.36 -0.06 0.00 2.06 0.00 0.00 58.89 60.64 1rwt h TRP 71 Cb 0.57 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.51 1rwt h TRP 71 CO 0.03 1.18 -0.09 0.00 -3.56 0.00 0.00 178.44 175.99 1rwt h ALA 72 N 0.70 1.29 -0.21 1.49 0.00 -0.83 0.43 119.26 122.13 1rwt h ALA 72 Ca 0.03 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1rwt h ALA 72 Cb 1.07 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1rwt h ALA 72 CO 0.11 0.47 -0.27 0.52 0.00 0.00 0.00 179.25 180.08 1rwt h MET 73 N 0.46 0.56 -0.54 0.00 2.86 -1.32 0.47 114.93 117.42 1rwt h MET 73 Ca 0.09 -0.31 -0.11 0.00 -2.06 0.00 0.00 59.70 57.31 1rwt h MET 73 Cb 0.44 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 1rwt h MET 73 CO 0.02 0.91 -0.09 -0.07 1.06 0.00 0.00 176.91 178.74 1rwt h LEU 74 N 0.24 1.00 -0.20 1.22 3.38 -1.30 -2.82 115.31 116.84 1rwt h LEU 74 Ca 0.03 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1rwt h LEU 74 Cb 0.83 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1rwt h LEU 74 CO 0.06 1.10 0.12 1.23 0.09 0.00 0.00 178.44 181.04 1rwt h GLY 75 N 0.95 0.28 0.95 0.83 0.00 0.10 -0.93 103.07 105.25 1rwt h GLY 75 Ca 0.14 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 1rwt h GLY 75 CO 0.04 0.11 -0.02 0.00 0.00 0.00 0.00 176.54 176.68 1rwt h ALA 76 N 1.04 -0.05 -0.87 3.60 0.00 -0.00 -0.87 119.26 122.11 1rwt h ALA 76 Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1rwt h ALA 76 Cb 0.02 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1rwt h ALA 76 CO -0.01 -0.50 0.46 1.25 0.00 0.00 0.00 179.25 180.44 1rwt h LEU 77 N -0.10 1.10 -0.47 0.00 5.85 -1.50 -2.51 115.31 117.68 1rwt h LEU 77 Ca -0.01 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1rwt h LEU 77 Cb 0.09 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 1rwt h LEU 77 CO 0.01 0.90 0.12 1.23 -0.34 0.00 0.00 178.44 180.36 1rwt h GLY 78 N 1.22 0.82 1.65 3.75 0.00 -0.96 -0.25 103.07 109.30 1rwt h GLY 78 Ca 0.30 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 1rwt h GLY 78 CO -0.05 0.47 -0.06 0.00 0.00 0.00 0.00 176.54 176.91 1rwt h VAL 80 N 0.42 0.82 -0.25 0.00 2.07 -1.30 -3.38 116.25 114.63 1rwt h VAL 80 Ca 0.09 -2.47 0.06 0.00 0.82 0.00 0.00 66.70 65.19 1rwt h VAL 80 Cb 0.36 2.65 -0.08 0.00 -1.52 0.00 0.00 31.29 32.71 1rwt h VAL 80 CO 0.02 0.86 -0.38 0.15 0.02 0.00 0.00 177.57 178.24 1rwt h PHE 81 N 0.09 -1.08 -0.62 1.57 3.57 -1.10 0.49 116.94 119.85 1rwt h PHE 81 Ca -0.37 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.22 1rwt h PHE 81 Cb 2.07 0.51 -0.04 0.00 2.79 0.00 0.00 35.95 41.27 1rwt h PHE 81 CO 0.09 -0.43 0.37 -1.35 -2.23 0.00 0.00 178.31 174.76 1rwt h PRO 82 N -0.38 0.71 -0.36 6.41 0.11 -1.80 -1.03 132.00 135.66 1rwt h PRO 82 Ca 0.11 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.20 1rwt h PRO 82 Cb 0.58 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 1rwt h PRO 82 CO -0.46 0.47 0.24 1.49 -0.21 0.00 0.00 178.00 179.53 1rwt h GLU 83 N 0.73 0.39 0.10 1.05 4.81 -1.42 0.11 114.58 120.34 1rwt h GLU 83 Ca 0.25 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1rwt h GLU 83 Cb 0.05 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1rwt h GLU 83 CO -0.12 0.26 -0.05 1.25 -0.73 0.00 0.00 179.01 179.62 1rwt h LEU 84 N 0.40 -0.11 -1.40 1.64 5.85 0.12 -1.91 115.31 119.90 1rwt h LEU 84 Ca 0.14 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.51 1rwt h LEU 84 Cb 0.08 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1rwt h LEU 84 CO -0.03 0.32 0.41 -0.07 -0.34 0.00 0.00 178.44 178.73 1rwt h LEU 85 N -0.57 0.70 -1.14 2.25 3.38 -0.68 -1.62 115.31 117.63 1rwt h LEU 85 Ca -0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1rwt h LEU 85 Cb 0.46 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1rwt h LEU 85 CO 0.02 0.50 0.17 0.00 0.09 0.00 0.00 178.44 179.22 1rwt h ALA 86 N 1.62 1.31 0.00 1.53 0.00 -0.69 -0.73 119.26 122.31 1rwt h ALA 86 Ca 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1rwt h ALA 86 Cb -0.07 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1rwt h ALA 86 CO -0.05 0.50 0.00 0.54 0.00 0.00 0.00 179.25 180.23 1rwt n ARG 87 N -4.31 0.39 -0.60 0.00 1.74 -0.63 -3.03 116.66 110.22 1rwt n ARG 87 Ca 0.04 0.06 0.05 0.00 -0.77 0.00 0.00 57.85 57.22 1rwt n ARG 87 Cb 0.19 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.33 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 -1.25 1.85 0.00 0.55 3.02 -0.33 -4.99 115.26 114.11 1rwt n ASN 88 Ca 0.12 -3.85 0.00 0.00 -0.03 0.00 0.00 54.58 50.82 1rwt n ASN 88 Cb 0.17 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1rwt n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rwt n GLY 89 N -1.13 2.84 3.72 7.41 0.00 -1.17 -5.03 105.19 111.83 1rwt n GLY 89 Ca 0.21 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 0.20 -3.63 1.61 0.31 -0.90 -4.96 118.33 110.95 1rwt n VAL 90 Ca 0.00 -0.05 -0.40 0.00 -0.01 0.00 0.00 64.34 63.88 1rwt n VAL 90 Cb 0.00 -1.99 -0.11 0.00 -0.91 0.00 0.00 33.84 30.83 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 0.85 2.71 0.29 5.55 1.02 -1.26 -4.05 119.74 124.84 1rwt s LYS 91 Ca 0.73 -1.23 0.05 0.00 0.02 0.00 0.00 55.97 55.54 1rwt s LYS 91 Cb -0.50 -3.70 -0.02 0.00 -0.52 0.00 0.00 37.83 33.09 1rwt s LYS 91 CO 0.35 -0.78 0.42 -0.06 -0.92 0.00 0.00 175.35 174.37 1rwt s PHE 92 N 1.48 3.34 0.29 3.18 0.08 -1.26 -4.05 117.98 121.04 1rwt s PHE 92 Ca 0.01 -0.04 0.03 0.00 0.12 0.00 0.00 56.93 57.05 1rwt s PHE 92 Cb -0.20 -1.76 0.45 0.00 -0.57 0.00 0.00 43.02 40.93 1rwt s PHE 92 CO 0.04 0.24 1.74 0.78 -0.10 0.00 0.00 175.22 177.92 1rwt h GLY 93 N 1.01 0.48 -5.76 4.36 0.00 -1.94 -3.42 103.07 97.81 1rwt h GLY 93 Ca -0.50 -0.39 0.10 0.00 0.00 0.00 0.00 47.33 46.55 1rwt h GLY 93 CO 0.58 0.35 -0.18 1.85 0.00 0.00 0.00 176.54 179.14 1rwt s GLU 94 N -4.50 0.53 0.07 4.80 2.56 -1.26 -5.05 118.70 115.85 1rwt s GLU 94 Ca -0.07 1.04 0.20 0.00 0.00 0.00 0.00 54.97 56.14 1rwt s GLU 94 Cb 0.14 0.59 -0.13 0.00 2.00 0.00 0.00 34.13 36.73 1rwt s GLU 94 CO 0.78 -0.47 0.78 0.00 -0.56 0.00 0.00 175.26 175.80 1rwt n ALA 95 N 5.42 2.22 -2.18 6.30 0.00 -1.26 -4.40 120.51 126.61 1rwt n ALA 95 Ca -0.04 -0.50 -0.42 0.00 0.00 0.00 0.00 53.44 52.48 1rwt n ALA 95 Cb 0.51 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 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 -3.13 3.51 0.27 0.00 1.01 -1.26 -3.52 120.40 117.29 1rwt s VAL 96 Ca -0.03 0.99 -0.02 0.00 0.00 0.00 0.00 61.98 62.92 1rwt s VAL 96 Cb 0.10 -3.63 0.30 0.00 0.00 0.00 0.00 36.38 33.14 1rwt s VAL 96 CO 0.82 0.03 1.64 4.11 0.00 0.00 0.00 175.10 181.70 1rwt h TRP 97 N 7.51 0.18 0.00 5.22 5.08 -1.91 0.13 115.95 132.16 1rwt h TRP 97 Ca -0.40 0.05 0.00 0.00 1.08 0.00 0.00 58.89 59.62 1rwt h TRP 97 Cb 1.19 0.05 0.00 0.00 -3.00 0.00 0.00 29.16 27.41 1rwt h TRP 97 CO 0.72 -0.23 0.00 1.97 -1.28 0.00 0.00 178.44 179.62 1rwt n PHE 98 N -5.28 0.00 0.00 0.12 1.16 -1.26 -2.88 117.46 109.32 1rwt n PHE 98 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.76 1rwt n PHE 98 Cb 0.60 -0.03 0.00 0.00 -1.61 0.00 0.00 39.48 38.44 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 -0.30 3.24 -0.19 3.97 5.02 0.39 -4.81 118.16 125.48 1rwt n LYS 99 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 1rwt n LYS 99 Cb 0.08 -0.56 0.06 0.00 -0.02 0.00 0.00 35.03 34.59 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 0.43 -0.90 7.82 0.00 -1.25 -1.85 119.26 123.51 1rwt h ALA 100 Ca 0.00 0.21 0.22 0.00 0.00 0.00 0.00 54.91 55.34 1rwt h ALA 100 Cb 0.00 0.40 -0.13 0.00 0.00 0.00 0.00 17.79 18.06 1rwt h ALA 100 CO 0.00 -0.42 0.40 0.78 0.00 0.00 0.00 179.25 180.00 1rwt h GLY 101 N 0.03 1.55 1.50 0.00 0.00 -1.87 -0.65 103.07 103.62 1rwt h GLY 101 Ca 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1rwt h GLY 101 CO -0.56 -0.27 0.00 -1.14 0.00 0.00 0.00 176.54 174.57 1rwt n SER 102 N -5.05 0.00 0.26 0.19 3.41 -0.69 -2.93 113.62 108.81 1rwt n SER 102 Ca 0.22 0.06 0.12 0.00 -0.26 0.00 0.00 58.87 59.02 1rwt n SER 102 Cb 0.66 -0.25 0.71 0.00 -0.26 0.00 0.00 64.21 65.07 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 -1.22 -2.00 115.11 120.43 1rwt h GLN 103 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1rwt h GLN 103 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1rwt h GLN 103 CO 0.00 0.12 0.00 0.97 -0.67 0.00 0.00 178.83 179.25 1rwt h ILE 104 N 0.00 0.00 -0.02 2.54 6.09 -1.75 -0.59 117.51 123.78 1rwt h ILE 104 Ca -0.00 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 1rwt h ILE 104 Cb 0.31 1.07 0.00 0.00 0.47 0.00 0.00 36.82 38.67 1rwt h ILE 104 CO 0.02 0.00 -0.09 0.49 -3.07 0.00 0.00 178.15 175.49 1rwt n PHE 105 N -2.84 0.00 -1.20 2.19 3.72 -0.75 -4.72 117.46 113.86 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 0.16 -0.01 0.10 0.00 -0.94 0.00 0.00 39.48 38.79 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 -2.11 4.24 0.24 4.37 0.01 -0.23 -4.93 113.70 115.29 1rwt s SER 106 Ca 0.29 1.93 -0.05 0.00 1.31 0.00 0.00 55.95 59.42 1rwt s SER 106 Cb 0.20 -2.53 0.40 0.00 0.21 0.00 0.00 66.02 64.29 1rwt s SER 106 CO 0.37 -2.22 1.76 -0.08 0.41 0.00 0.00 173.24 173.49 1rwt h GLU 107 N -1.14 0.54 -0.01 12.44 4.81 -1.93 -2.35 114.58 126.94 1rwt h GLU 107 Ca -0.44 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1rwt h GLU 107 Cb 1.24 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1rwt h GLU 107 CO 0.50 0.36 -0.32 0.41 -0.73 0.00 0.00 179.01 179.23 1rwt n GLY 108 N -1.31 -0.45 2.94 1.92 0.00 -1.26 -5.08 105.19 101.95 1rwt n GLY 108 Ca 0.13 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 1.36 -2.35 3.54 -0.02 0.00 -0.89 -4.80 105.19 102.04 1rwt n GLY 109 Ca 0.11 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 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 4.39 -0.30 0.99 0.20 0.67 -4.79 118.68 119.84 1rwt s LEU 110 Ca 0.00 -0.13 -0.09 0.00 0.69 0.00 0.00 54.13 54.60 1rwt s LEU 110 Cb 0.00 -2.73 -0.01 0.00 -0.43 0.00 0.00 46.19 43.02 1rwt s LEU 110 CO 0.00 -0.68 0.14 -1.81 -0.29 0.00 0.00 176.35 173.71 1rwt s ASP 111 N 1.90 5.47 0.20 3.68 1.01 -1.26 -1.48 116.67 126.19 1rwt s ASP 111 Ca 0.23 -0.48 -0.33 0.00 0.71 0.00 0.00 52.55 52.68 1rwt s ASP 111 Cb -0.14 -1.98 -0.13 0.00 1.01 0.00 0.00 42.92 41.67 1rwt s ASP 111 CO 0.17 -0.17 1.57 0.00 0.21 0.00 0.00 175.17 176.95 1rwt n TYR 112 N 4.97 2.41 -1.75 4.23 9.36 -0.63 -0.65 117.16 135.10 1rwt n TYR 112 Ca -0.14 0.26 -0.17 0.00 3.32 0.00 0.00 57.90 61.17 1rwt n TYR 112 Cb 0.49 -2.56 -0.06 0.00 -0.63 0.00 0.00 39.34 36.59 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 3.10 -1.35 0.00 2.98 4.77 -1.26 -0.61 117.00 124.64 1rwt n LEU 113 Ca 0.15 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1rwt n LEU 113 Cb 0.31 -2.49 0.00 0.00 -2.33 0.00 0.00 43.42 38.92 1rwt n LEU 113 CO 0.63 -0.71 0.00 0.61 -1.33 0.00 0.00 177.39 176.60 1rwt n GLY 114 N -0.48 0.47 3.62 -0.72 0.00 0.18 -4.72 105.19 103.53 1rwt n GLY 114 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.31 6.49 0.52 1.61 3.84 0.22 -4.95 114.94 120.36 1rwt s ASN 115 Ca 0.00 0.55 0.33 0.00 0.21 0.00 0.00 52.86 53.95 1rwt s ASN 115 Cb 0.00 -2.31 1.80 0.00 -0.55 0.00 0.00 41.25 40.20 1rwt s ASN 115 CO 0.00 -0.35 2.01 -0.65 -2.79 0.00 0.00 177.10 175.32 1rwt h PRO 116 N 8.02 0.00 -0.20 0.43 0.11 -1.90 -1.30 132.00 137.16 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 -2.69 2.36 -4.12 -2.05 7.64 -1.26 -4.58 113.62 108.91 1rwt n SER 117 Ca -0.02 -1.81 -0.33 0.00 1.01 0.00 0.00 58.87 57.72 1rwt n SER 117 Cb 0.09 -0.12 -0.15 0.00 -1.01 0.00 0.00 64.21 63.02 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 -1.65 3.15 0.00 -3.43 1.43 -0.49 -4.88 118.68 112.80 1rwt s LEU 118 Ca 0.34 -1.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1rwt s LEU 118 Cb 0.20 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.84 1rwt s LEU 118 CO 0.29 -0.14 0.00 0.52 0.23 0.00 0.00 176.35 177.25 1rwt n VAL 119 N 4.55 0.00 -3.98 -1.59 0.31 -1.26 -1.61 118.33 114.75 1rwt n VAL 119 Ca -0.16 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.87 1rwt n VAL 119 Cb 0.45 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 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 -1.99 -1.93 3.52 -0.00 -1.11 -4.89 115.22 108.82 1rwt n HIS 120 Ca 0.00 0.84 -0.41 0.00 0.46 0.00 0.00 57.72 58.61 1rwt n HIS 120 Cb 0.00 -3.72 -0.01 0.00 -0.12 0.00 0.00 29.99 26.13 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 -3.46 3.60 0.00 1.57 0.00 -0.55 -4.74 121.76 118.18 1rwt s ALA 121 Ca 0.48 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.87 1rwt s ALA 121 Cb -0.25 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.30 1rwt s ALA 121 CO 0.86 -0.85 0.00 1.04 0.00 0.00 0.00 175.76 176.81 1rwt n GLN 122 N 1.39 2.44 -3.86 0.00 1.13 -1.26 -0.24 117.38 116.97 1rwt n GLN 122 Ca 0.04 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.74 1rwt n GLN 122 Cb 0.40 -0.91 -0.13 0.00 0.11 0.00 0.00 30.24 29.70 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 -2.26 4.66 0.28 1.08 0.15 -1.26 -4.93 113.70 111.42 1rwt s SER 123 Ca 0.00 -0.70 0.03 0.00 0.70 0.00 0.00 55.95 55.99 1rwt s SER 123 Cb 0.00 -1.77 0.40 0.00 -1.71 0.00 0.00 66.02 62.93 1rwt s SER 123 CO 0.00 -0.13 1.69 -0.29 1.20 0.00 0.00 173.24 175.71 1rwt h ILE 124 N 5.93 1.29 -0.53 6.45 6.09 -1.96 -2.26 117.51 132.52 1rwt h ILE 124 Ca -0.34 -1.42 -0.01 0.00 -1.37 0.00 0.00 64.86 61.73 1rwt h ILE 124 Cb 1.13 1.52 -0.03 0.00 0.47 0.00 0.00 36.82 39.91 1rwt h ILE 124 CO 0.59 0.44 0.29 -0.07 -3.07 0.00 0.00 178.15 176.33 1rwt h LEU 125 N 0.34 0.66 -0.47 2.19 3.38 -1.99 0.87 115.31 120.30 1rwt h LEU 125 Ca 0.04 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1rwt h LEU 125 Cb 0.77 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1rwt h LEU 125 CO 0.06 0.56 0.15 0.00 0.09 0.00 0.00 178.44 179.30 1rwt h ALA 126 N 1.13 0.61 -0.42 1.53 0.00 -1.93 0.17 119.26 120.36 1rwt h ALA 126 Ca 0.19 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1rwt h ALA 126 Cb 0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1rwt h ALA 126 CO -0.03 0.26 0.24 0.82 0.00 0.00 0.00 179.25 180.54 1rwt h ILE 127 N 0.62 1.03 -0.13 0.00 2.04 -1.13 -2.12 117.51 117.82 1rwt h ILE 127 Ca 0.15 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1rwt h ILE 127 Cb 0.26 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1rwt h ILE 127 CO -0.01 0.09 0.08 -0.25 0.00 0.00 0.00 178.15 178.06 1rwt h TRP 128 N 0.48 0.17 -0.41 1.37 7.01 -0.37 -2.42 115.95 121.78 1rwt h TRP 128 Ca 0.17 0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.24 1rwt h TRP 128 Cb 0.02 -0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 26.97 1rwt h TRP 128 CO -0.08 0.14 0.06 0.00 -2.79 0.00 0.00 178.44 175.77 1rwt h ALA 129 N 1.02 0.42 -0.55 2.65 0.00 -0.39 -1.76 119.26 120.65 1rwt h ALA 129 Ca 0.05 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1rwt h ALA 129 Cb 0.02 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1rwt h ALA 129 CO -0.01 -0.34 0.36 0.00 0.00 0.00 0.00 179.25 179.26 1rwt h GLN 131 N 0.75 0.73 -0.09 0.00 4.15 -0.92 0.26 115.11 119.99 1rwt h GLN 131 Ca 0.20 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.59 1rwt h GLN 131 Cb -0.07 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.44 1rwt h GLN 131 CO -0.04 0.48 0.01 0.28 -1.93 0.00 0.00 178.83 177.63 1rwt h VAL 132 N 0.75 0.95 0.89 2.39 2.07 -1.16 0.14 116.25 122.29 1rwt h VAL 132 Ca 0.22 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.68 1rwt h VAL 132 Cb -0.06 0.91 0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1rwt h VAL 132 CO -0.06 0.01 -0.43 0.40 0.02 0.00 0.00 177.57 177.51 1rwt h ILE 133 N 0.04 0.00 0.13 4.57 1.08 -1.10 -0.92 117.51 121.31 1rwt h ILE 133 Ca 0.04 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 1rwt h ILE 133 Cb 0.04 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.78 1rwt h ILE 133 CO -0.06 0.00 -0.11 -0.07 -0.69 0.00 0.00 178.15 177.22 1rwt h LEU 134 N -1.29 -0.29 -0.61 1.44 3.38 -0.48 -1.81 115.31 115.65 1rwt h LEU 134 Ca -0.12 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1rwt h LEU 134 Cb 0.92 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1rwt h LEU 134 CO 0.20 -0.17 -0.05 0.24 0.09 0.00 0.00 178.44 178.74 1rwt h MET 135 N -0.26 1.04 -0.54 1.13 2.86 -0.82 -1.99 114.93 116.36 1rwt h MET 135 Ca 0.00 -0.36 -0.01 0.00 -2.06 0.00 0.00 59.70 57.27 1rwt h MET 135 Cb 0.24 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 1rwt h MET 135 CO -0.02 1.05 0.28 0.78 1.06 0.00 0.00 176.91 180.06 1rwt h GLY 136 N 0.97 0.80 0.40 8.32 0.00 -1.09 -0.36 103.07 112.11 1rwt h GLY 136 Ca 0.16 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1rwt h GLY 136 CO 0.04 0.34 -0.03 0.00 0.00 0.00 0.00 176.54 176.89 1rwt h ALA 137 N 1.56 -0.08 -0.21 3.60 0.00 -1.08 -2.52 119.26 120.54 1rwt h ALA 137 Ca 0.19 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1rwt h ALA 137 Cb 0.05 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1rwt h ALA 137 CO -0.03 -0.24 -0.12 -0.39 0.00 0.00 0.00 179.25 178.46 1rwt h VAL 138 N -0.68 1.20 -0.28 0.00 -1.51 -1.26 -1.69 116.25 112.03 1rwt h VAL 138 Ca -0.01 -0.87 -0.11 0.00 -1.23 0.00 0.00 66.70 64.48 1rwt h VAL 138 Cb 0.57 1.18 -0.01 0.00 -2.13 0.00 0.00 31.29 30.90 1rwt h VAL 138 CO 0.01 0.28 -0.29 -0.33 -1.23 0.00 0.00 177.57 176.01 1rwt h GLU 139 N 0.31 0.57 -0.27 5.19 4.39 -1.13 -1.69 114.58 121.96 1rwt h GLU 139 Ca 0.06 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.50 1rwt h GLU 139 Cb 0.41 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1rwt h GLU 139 CO 0.02 0.80 0.08 0.78 -1.16 0.00 0.00 179.01 179.54 1rwt h GLY 140 N 1.02 0.46 0.81 -3.84 0.00 -0.90 -2.75 103.07 97.87 1rwt h GLY 140 Ca 0.06 -0.27 0.05 0.00 0.00 0.00 0.00 47.33 47.17 1rwt h GLY 140 CO 0.06 0.25 0.63 -0.97 0.00 0.00 0.00 176.54 176.51 1rwt h TYR 141 N 0.28 1.17 -0.00 5.60 0.99 -1.13 0.28 116.97 124.16 1rwt h TYR 141 Ca 0.09 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.85 1rwt h TYR 141 Cb 0.24 -0.39 -0.00 0.00 1.00 0.00 0.00 36.73 37.59 1rwt h TYR 141 CO 0.01 0.64 0.00 -0.09 -0.00 0.00 0.00 178.16 178.72 1rwt h ARG 142 N 1.18 0.00 0.05 4.88 2.43 -1.03 0.78 114.38 122.68 1rwt h ARG 142 Ca 0.40 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 59.20 1rwt h ARG 142 Cb 0.08 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 1rwt h ARG 142 CO -0.15 0.00 -2.23 -0.89 -1.51 0.00 0.00 179.97 175.19 1rwt n ILE 143 N -4.18 1.62 0.21 1.20 2.08 -0.22 -4.64 119.36 115.43 1rwt n ILE 143 Ca -0.03 -0.57 0.08 0.00 0.56 0.00 0.00 62.75 62.80 1rwt n ILE 143 Cb 0.09 -1.61 -0.12 0.00 -0.75 0.00 0.00 39.64 37.25 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 -3.22 3.06 0.00 -1.39 0.00 0.82 -4.96 120.51 114.83 1rwt n ALA 144 Ca -0.40 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1rwt n ALA 144 Cb 0.99 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 1.49 2.24 0.00 0.00 0.00 0.27 -4.58 105.19 104.60 1rwt n GLY 145 Ca -0.01 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 1.41 1.25 0.56 -0.02 0.00 0.32 -4.41 105.19 104.29 1rwt n GLY 146 Ca 0.00 -0.48 0.39 0.00 0.00 0.00 0.00 46.02 45.93 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 0.03 -0.54 1.61 0.11 -2.01 0.14 132.00 131.35 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 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1rwt h PRO 147 CO 0.00 0.02 0.00 1.28 -0.21 0.00 0.00 178.00 179.09 1rwt n LEU 148 N -4.18 3.55 0.00 2.35 4.77 -1.26 -5.06 117.00 117.17 1rwt n LEU 148 Ca 0.31 -2.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.22 1rwt n LEU 148 Cb 1.41 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 1rwt n LEU 148 CO 0.39 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 1rwt n GLY 149 N 1.02 2.79 3.83 -0.72 0.00 0.49 -4.39 105.19 108.21 1rwt n GLY 149 Ca 0.19 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 1rwt n GLY 149 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rwt s GLU 150 N -1.99 3.06 -0.33 1.61 2.56 -1.26 0.12 118.70 122.46 1rwt s GLU 150 Ca 0.00 -0.65 -0.29 0.00 0.00 0.00 0.00 54.97 54.03 1rwt s GLU 150 Cb 0.00 -2.81 0.02 0.00 2.00 0.00 0.00 34.13 33.34 1rwt s GLU 150 CO 0.00 0.56 1.13 0.08 -0.56 0.00 0.00 175.26 176.47 1rwt s VAL 151 N -1.50 4.39 0.00 3.70 1.01 -1.26 -4.88 120.40 121.86 1rwt s VAL 151 Ca 0.31 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.87 1rwt s VAL 151 Cb -0.12 -4.38 0.00 0.00 0.00 0.00 0.00 36.38 31.88 1rwt s VAL 151 CO 0.24 -0.54 0.00 0.52 0.00 0.00 0.00 175.10 175.32 1rwt n VAL 152 N 6.06 0.00 -3.04 2.92 0.31 -1.26 -4.95 118.33 118.37 1rwt n VAL 152 Ca 0.13 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.04 1rwt n VAL 152 Cb 0.47 -0.40 -0.06 0.00 -0.91 0.00 0.00 33.84 32.94 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 0.03 6.56 0.24 4.52 -1.08 -1.26 -4.96 116.67 120.72 1rwt s ASP 153 Ca 0.00 0.51 -0.07 0.00 -0.52 0.00 0.00 52.55 52.47 1rwt s ASP 153 Cb 0.00 -2.36 0.41 0.00 -1.46 0.00 0.00 42.92 39.51 1rwt s ASP 153 CO 0.00 -0.54 1.65 -0.65 0.52 0.00 0.00 175.17 176.15 1rwt h PRO 154 N 8.17 0.13 0.00 4.34 0.11 -1.94 -2.88 132.00 139.92 1rwt h PRO 154 Ca -0.26 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.67 1rwt h PRO 154 Cb 1.11 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1rwt h PRO 154 CO 0.84 0.09 -1.42 1.28 -0.21 0.00 0.00 178.00 178.57 1rwt n LEU 155 N -5.29 0.86 -3.52 2.35 4.77 -1.26 -4.63 117.00 110.27 1rwt n LEU 155 Ca 0.13 0.38 -0.27 0.00 -0.03 0.00 0.00 56.01 56.22 1rwt n LEU 155 Cb 0.44 0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 1rwt n LEU 155 CO 0.08 0.15 -0.02 -1.22 -1.33 0.00 0.00 177.39 175.04 1rwt n TYR 156 N -2.89 2.75 0.14 -1.77 4.01 -1.09 -4.96 117.16 113.35 1rwt n TYR 156 Ca -0.10 -4.07 -0.14 0.00 -0.16 0.00 0.00 57.90 53.43 1rwt n TYR 156 Cb 0.85 -0.50 -0.06 0.00 -0.31 0.00 0.00 39.34 39.31 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 4.58 -0.56 0.00 -0.72 0.11 -1.81 -3.40 132.00 130.21 1rwt h PRO 157 Ca 0.17 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1rwt h PRO 157 Cb 0.73 0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1rwt h PRO 157 CO 0.73 -0.37 0.00 0.41 -0.21 0.00 0.00 178.00 178.56 1rwt n GLY 158 N -1.42 -0.06 7.00 -0.55 0.00 -1.26 -4.84 105.19 104.06 1rwt n GLY 158 Ca -0.07 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 2.65 0.32 -0.02 0.00 -1.26 -0.09 105.19 106.79 1rwt n GLY 159 Ca 0.00 0.33 0.16 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.57 1.61 0.02 -1.91 -1.91 113.55 110.79 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 -3.80 1.51 -2.82 3.45 3.01 0.87 -4.25 117.46 115.44 1rwt n PHE 161 Ca -0.00 -0.57 -0.11 0.00 1.01 0.00 0.00 57.45 57.77 1rwt n PHE 161 Cb 0.23 -0.30 0.04 0.00 -0.01 0.00 0.00 39.48 39.44 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 0.87 0.11 -0.24 4.37 2.03 -0.72 -4.65 116.55 118.33 1rwt n ASP 162 Ca 0.24 -2.87 0.01 0.00 0.52 0.00 0.00 54.79 52.68 1rwt n ASP 162 Cb 0.90 0.08 0.08 0.00 -0.72 0.00 0.00 41.12 41.46 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 2.80 0.00 0.00 -0.67 0.11 -1.74 0.39 132.00 132.90 1rwt h PRO 163 Ca -0.08 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1rwt h PRO 163 Cb 1.14 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1rwt h PRO 163 CO 0.34 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.41 1rwt n LEU 164 N -5.46 0.00 -2.50 2.35 4.77 -1.26 -4.88 117.00 110.02 1rwt n LEU 164 Ca 0.09 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.97 1rwt n LEU 164 Cb 0.36 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1rwt n LEU 164 CO 0.02 0.00 -0.12 0.61 -1.33 0.00 0.00 177.39 176.57 1rwt n GLY 165 N 0.59 -0.50 0.34 -0.72 0.00 0.14 -4.82 105.19 100.22 1rwt n GLY 165 Ca 0.09 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.05 0.00 -3.17 0.99 3.38 -1.90 -1.71 115.31 112.86 1rwt h LEU 166 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1rwt h LEU 166 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1rwt h LEU 166 CO 0.28 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.81 1rwt n ALA 167 N -2.11 2.98 -0.28 1.53 0.00 -1.26 -4.60 120.51 116.77 1rwt n ALA 167 Ca -0.00 -1.73 -0.05 0.00 0.00 0.00 0.00 53.44 51.66 1rwt n ALA 167 Cb 0.32 -0.84 0.06 0.00 0.00 0.00 0.00 19.45 18.99 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 3.15 0.98 -3.42 0.00 3.32 -1.69 -3.41 116.42 115.35 1rwt h ASP 168 Ca 0.00 -0.11 -0.58 0.00 0.02 0.00 0.00 57.03 56.36 1rwt h ASP 168 Cb 1.38 -0.25 -0.08 0.00 0.22 0.00 0.00 39.33 40.60 1rwt h ASP 168 CO 0.21 0.81 0.73 -0.62 -1.72 0.00 0.00 179.24 178.65 1rwt s ASP 169 N -6.12 6.79 0.25 6.45 2.15 -1.26 -4.95 116.67 119.98 1rwt s ASP 169 Ca -0.13 0.80 -0.13 0.00 0.43 0.00 0.00 52.55 53.52 1rwt s ASP 169 Cb 0.15 -2.50 0.34 0.00 -0.30 0.00 0.00 42.92 40.60 1rwt s ASP 169 CO 0.81 -0.88 1.56 -0.65 -0.17 0.00 0.00 175.17 175.84 1rwt h PRO 170 N 8.33 -0.01 0.25 4.34 0.11 -1.98 0.06 132.00 143.10 1rwt h PRO 170 Ca -0.22 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.90 1rwt h PRO 170 Cb 1.07 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1rwt h PRO 170 CO 1.01 -0.01 -0.39 0.93 -0.21 0.00 0.00 178.00 179.33 1rwt h GLU 171 N -0.01 -0.68 -0.70 1.05 5.08 -1.95 -1.48 114.58 115.89 1rwt h GLU 171 Ca 0.40 0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.87 1rwt h GLU 171 Cb 0.65 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 30.00 1rwt h GLU 171 CO -0.97 -0.46 0.39 0.00 -1.00 0.00 0.00 179.01 176.97 1rwt h ALA 172 N -0.25 0.94 -0.79 3.43 0.00 -1.67 -2.14 119.26 118.79 1rwt h ALA 172 Ca -0.00 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1rwt h ALA 172 Cb 0.68 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1rwt h ALA 172 CO -0.15 0.06 0.46 0.35 0.00 0.00 0.00 179.25 179.97 1rwt h PHE 173 N 0.71 0.83 -0.19 0.00 3.57 -0.68 0.26 116.94 121.44 1rwt h PHE 173 Ca 0.32 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.75 1rwt h PHE 173 Cb 0.21 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1rwt h PHE 173 CO -0.08 0.37 -0.28 0.00 -2.23 0.00 0.00 178.31 176.10 1rwt h ALA 174 N 1.42 1.18 0.17 2.41 0.00 -0.64 -2.14 119.26 121.66 1rwt h ALA 174 Ca 0.37 -0.34 -0.28 0.00 0.00 0.00 0.00 54.91 54.66 1rwt h ALA 174 Cb 0.29 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.00 1rwt h ALA 174 CO -0.22 0.53 -1.21 1.49 0.00 0.00 0.00 179.25 179.84 1rwt h GLU 175 N 0.32 0.51 -0.38 0.00 4.81 -0.85 -3.25 114.58 115.74 1rwt h GLU 175 Ca 0.05 -0.78 0.00 0.00 -0.13 0.00 0.00 59.36 58.49 1rwt h GLU 175 Cb 0.66 0.28 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 1rwt h GLU 175 CO 0.05 1.36 0.24 -0.07 -0.73 0.00 0.00 179.01 179.86 1rwt h LEU 176 N 0.06 0.44 -1.43 1.64 3.38 -0.45 -1.21 115.31 117.73 1rwt h LEU 176 Ca -0.20 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1rwt h LEU 176 Cb 1.93 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.55 1rwt h LEU 176 CO 0.23 0.33 0.07 0.11 0.09 0.00 0.00 178.44 179.27 1rwt h LYS 177 N 0.51 0.45 -0.06 1.13 1.57 -1.43 0.22 116.57 118.96 1rwt h LYS 177 Ca 0.14 -0.07 -0.21 0.00 -1.87 0.00 0.00 60.65 58.64 1rwt h LYS 177 Cb -0.04 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1rwt h LYS 177 CO -0.03 0.42 -0.82 0.28 -0.57 0.00 0.00 179.45 178.73 1rwt h VAL 178 N 0.44 1.36 -0.35 0.50 2.07 -1.29 -2.55 116.25 116.43 1rwt h VAL 178 Ca 0.11 -2.21 -0.12 0.00 0.82 0.00 0.00 66.70 65.30 1rwt h VAL 178 Cb 0.18 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1rwt h VAL 178 CO -0.00 0.67 -0.27 0.11 0.02 0.00 0.00 177.57 178.09 1rwt h LYS 179 N 0.32 0.73 -0.19 1.57 1.57 -0.62 -1.37 116.57 118.57 1rwt h LYS 179 Ca -0.06 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 1rwt h LYS 179 Cb 1.43 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 1rwt h LYS 179 CO 0.15 0.92 0.08 1.49 -0.57 0.00 0.00 179.45 181.52 1rwt h GLU 180 N 0.62 0.27 -0.23 3.15 4.81 -0.52 -1.39 114.58 121.30 1rwt h GLU 180 Ca 0.08 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.10 1rwt h GLU 180 Cb 0.78 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1rwt h GLU 180 CO 0.06 0.32 -0.51 0.82 -0.73 0.00 0.00 179.01 178.98 1rwt h ILE 181 N 0.16 1.31 -0.20 2.32 2.04 -1.37 -0.07 117.51 121.69 1rwt h ILE 181 Ca 0.06 -1.73 -0.16 0.00 1.00 0.00 0.00 64.86 64.04 1rwt h ILE 181 Cb 0.14 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1rwt h ILE 181 CO -0.01 0.55 -0.53 0.11 0.00 0.00 0.00 178.15 178.27 1rwt h LYS 182 N 0.50 0.58 -0.25 2.37 1.57 -1.22 0.32 116.57 120.45 1rwt h LYS 182 Ca 0.02 -0.36 -0.15 0.00 -1.87 0.00 0.00 60.65 58.30 1rwt h LYS 182 Cb 1.06 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1rwt h LYS 182 CO 0.10 0.97 -0.45 -0.91 -0.57 0.00 0.00 179.45 178.59 1rwt h ASN 183 N 0.45 0.67 -0.24 0.86 2.35 -1.20 -2.31 115.58 116.17 1rwt h ASN 183 Ca 0.01 -0.32 -0.07 0.00 -0.55 0.00 0.00 56.30 55.38 1rwt h ASN 183 Cb 1.07 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 1rwt h ASN 183 CO 0.10 1.02 -0.11 1.23 -1.65 0.00 0.00 177.43 178.03 1rwt h GLY 184 N 1.01 0.54 1.22 2.83 0.00 -0.67 -1.86 103.07 106.14 1rwt h GLY 184 Ca 0.03 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 1rwt h GLY 184 CO 0.09 0.44 0.35 3.21 0.00 0.00 0.00 176.54 180.62 1rwt h ARG 185 N 0.22 1.01 -0.70 4.80 3.08 -0.35 -0.03 114.38 122.41 1rwt h ARG 185 Ca 0.05 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 1rwt h ARG 185 Cb 0.60 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 1rwt h ARG 185 CO 0.03 0.77 0.16 1.25 -1.07 0.00 0.00 179.97 181.12 1rwt h LEU 186 N 1.00 1.07 -0.73 3.04 5.85 -1.30 -1.34 115.31 122.91 1rwt h LEU 186 Ca 0.25 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 1rwt h LEU 186 Cb 0.09 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 1rwt h LEU 186 CO -0.03 1.03 -0.00 0.00 -0.34 0.00 0.00 178.44 179.10 1rwt h ALA 187 N 1.08 0.93 -0.13 1.25 0.00 -0.46 -0.51 119.26 121.42 1rwt h ALA 187 Ca 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1rwt h ALA 187 Cb 0.39 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1rwt h ALA 187 CO 0.00 0.64 0.00 0.52 0.00 0.00 0.00 179.25 180.42 1rwt h MET 188 N 0.90 0.22 -0.69 0.00 2.86 -0.78 0.13 114.93 117.57 1rwt h MET 188 Ca 0.16 -0.07 0.08 0.00 -2.06 0.00 0.00 59.70 57.82 1rwt h MET 188 Cb 0.53 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.10 1rwt h MET 188 CO 0.03 0.45 0.36 0.35 1.06 0.00 0.00 176.91 179.16 1rwt h PHE 189 N -0.03 0.64 -0.32 -0.22 3.57 -1.15 -0.79 116.94 118.64 1rwt h PHE 189 Ca 0.04 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.42 1rwt h PHE 189 Cb 0.35 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1rwt h PHE 189 CO 0.03 0.26 -0.38 0.77 -2.23 0.00 0.00 178.31 176.76 1rwt h SER 190 N 0.62 0.78 -0.34 0.41 0.02 -0.86 -2.49 113.55 111.71 1rwt h SER 190 Ca 0.33 -0.34 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1rwt h SER 190 Cb 0.31 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1rwt h SER 190 CO -0.24 1.07 -0.01 0.24 -1.14 0.00 0.00 176.83 176.75 1rwt h MET 191 N 0.61 0.70 -0.66 3.45 2.86 0.08 0.04 114.93 122.01 1rwt h MET 191 Ca 0.05 -0.18 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 1rwt h MET 191 Cb 0.92 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 1rwt h MET 191 CO 0.08 0.72 0.25 0.35 1.06 0.00 0.00 176.91 179.38 1rwt h PHE 192 N 0.66 0.98 -0.43 -0.22 3.57 -1.02 -0.35 116.94 120.12 1rwt h PHE 192 Ca 0.13 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1rwt h PHE 192 Cb 0.42 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1rwt h PHE 192 CO 0.02 0.75 0.24 0.78 -2.23 0.00 0.00 178.31 177.87 1rwt h GLY 193 N 1.04 0.64 0.87 2.40 0.00 -0.71 -1.37 103.07 105.93 1rwt h GLY 193 Ca 0.22 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.29 1rwt h GLY 193 CO -0.02 0.27 0.20 0.74 0.00 0.00 0.00 176.54 177.74 1rwt h PHE 194 N 0.56 0.38 -0.02 5.60 0.05 -0.15 0.24 116.94 123.59 1rwt h PHE 194 Ca 0.15 0.01 0.02 0.00 3.82 0.00 0.00 57.97 61.97 1rwt h PHE 194 Cb 0.05 -0.12 -0.02 0.00 2.00 0.00 0.00 35.95 37.86 1rwt h PHE 194 CO -0.02 0.21 -0.08 0.74 -0.18 0.00 0.00 178.31 178.98 1rwt h PHE 195 N 0.41 -0.19 -0.30 -0.55 0.04 -0.78 -0.19 116.94 115.37 1rwt h PHE 195 Ca 0.15 0.01 -0.14 0.00 2.80 0.00 0.00 57.97 60.79 1rwt h PHE 195 Cb 0.03 0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.27 1rwt h PHE 195 CO -0.09 -0.12 -0.35 0.28 -0.60 0.00 0.00 178.31 177.43 1rwt h VAL 196 N -0.13 1.29 -0.85 -0.55 2.07 -1.10 -2.64 116.25 114.35 1rwt h VAL 196 Ca 0.04 -1.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.02 1rwt h VAL 196 Cb 0.18 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1rwt h VAL 196 CO -0.10 0.50 0.52 1.56 0.02 0.00 0.00 177.57 180.07 1rwt h GLN 197 N 0.53 1.16 -0.06 1.57 4.20 -0.41 0.42 115.11 122.52 1rwt h GLN 197 Ca 0.04 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1rwt h GLN 197 Cb 0.94 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.47 1rwt h GLN 197 CO 0.08 0.81 0.03 0.00 -0.67 0.00 0.00 178.83 179.08 1rwt h ALA 198 N 1.28 0.08 -0.90 3.87 0.00 -1.02 0.26 119.26 122.83 1rwt h ALA 198 Ca 0.31 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1rwt h ALA 198 Cb -0.05 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1rwt h ALA 198 CO -0.06 -0.36 0.58 0.82 0.00 0.00 0.00 179.25 180.23 1rwt h ILE 199 N -0.03 1.13 0.12 0.00 2.04 -1.08 -0.99 117.51 118.71 1rwt h ILE 199 Ca 0.02 -0.38 -0.21 0.00 1.00 0.00 0.00 64.86 65.29 1rwt h ILE 199 Cb 0.12 -0.08 0.01 0.00 -0.74 0.00 0.00 36.82 36.14 1rwt h ILE 199 CO -0.00 0.20 -1.00 0.58 0.00 0.00 0.00 178.15 177.93 1rwt h VAL 200 N 1.11 1.34 0.00 1.67 2.07 -0.67 -3.39 116.25 118.38 1rwt h VAL 200 Ca 0.36 -2.47 -0.13 0.00 0.82 0.00 0.00 66.70 65.28 1rwt h VAL 200 Cb 0.03 3.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 1rwt h VAL 200 CO -0.13 0.69 -1.41 0.35 0.02 0.00 0.00 177.57 177.09 1rwt n THR 201 N -4.09 1.00 -1.12 2.57 -2.24 0.90 -4.97 114.28 106.33 1rwt n THR 201 Ca -0.18 -0.66 -0.04 0.00 -2.27 0.00 0.00 64.05 60.90 1rwt n THR 201 Cb 0.83 -0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 68.45 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 1.36 0.62 3.48 3.38 0.00 -0.38 -4.99 105.19 108.66 1rwt n GLY 202 Ca -0.08 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.73 1.72 0.72 1.61 1.02 -1.26 -5.09 119.74 116.73 1rwt s LYS 203 Ca 0.00 -1.97 -0.11 0.00 0.02 0.00 0.00 55.97 53.91 1rwt s LYS 203 Cb 0.00 -0.91 0.03 0.00 -0.52 0.00 0.00 37.83 36.43 1rwt s LYS 203 CO 0.00 -0.22 1.07 0.20 -0.92 0.00 0.00 175.35 175.49 1rwt s GLY 204 N -3.53 1.69 0.33 -3.33 0.00 -1.26 -4.55 107.32 96.67 1rwt s GLY 204 Ca 0.34 0.17 0.02 0.00 0.00 0.00 0.00 44.72 45.26 1rwt s GLY 204 CO 0.15 0.50 1.91 -0.56 0.00 0.00 0.00 173.10 175.10 1rwt h PRO 205 N -0.86 0.69 -0.03 2.90 0.13 -1.94 -1.89 132.00 131.01 1rwt h PRO 205 Ca -0.44 -0.11 -0.17 0.00 -0.87 0.00 0.00 66.00 64.41 1rwt h PRO 205 Cb 1.22 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1rwt h PRO 205 CO 0.54 0.60 -0.75 -0.07 -0.23 0.00 0.00 178.00 178.09 1rwt h LEU 206 N 0.68 0.25 -1.04 1.56 3.38 -1.96 -2.69 115.31 115.49 1rwt h LEU 206 Ca 0.16 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1rwt h LEU 206 Cb 0.19 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1rwt h LEU 206 CO -0.01 0.91 -0.37 -0.08 0.09 0.00 0.00 178.44 178.99 1rwt h GLU 207 N 0.14 0.21 -0.17 1.13 4.81 -1.87 -2.15 114.58 116.68 1rwt h GLU 207 Ca -0.03 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1rwt h GLU 207 Cb 1.32 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 1rwt h GLU 207 CO 0.11 0.55 0.11 -0.91 -0.73 0.00 0.00 179.01 178.15 1rwt h ASN 208 N 0.18 0.19 -0.78 1.04 -0.26 -1.07 -0.70 115.58 114.18 1rwt h ASN 208 Ca 0.02 -0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.70 1rwt h ASN 208 Cb 0.74 -0.05 -0.03 0.00 -1.06 0.00 0.00 38.32 37.91 1rwt h ASN 208 CO 0.06 0.14 0.30 0.25 -1.06 0.00 0.00 177.43 177.12 1rwt h LEU 209 N 0.23 1.09 0.21 1.61 5.85 -1.25 0.71 115.31 123.75 1rwt h LEU 209 Ca 0.06 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1rwt h LEU 209 Cb -0.02 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.72 1rwt h LEU 209 CO -0.01 0.97 -0.13 0.00 -0.34 0.00 0.00 178.44 178.93 1rwt h ALA 210 N 1.16 -0.31 -0.55 1.25 0.00 -1.11 0.30 119.26 119.99 1rwt h ALA 210 Ca 0.26 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1rwt h ALA 210 Cb 0.23 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1rwt h ALA 210 CO -0.02 -0.69 0.35 -0.44 0.00 0.00 0.00 179.25 178.45 1rwt h ASP 211 N -0.33 0.57 -1.00 0.00 3.32 -0.81 -0.23 116.42 117.94 1rwt h ASP 211 Ca -0.02 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.07 1rwt h ASP 211 Cb 0.27 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.64 1rwt h ASP 211 CO 0.02 0.41 0.65 -0.74 -1.72 0.00 0.00 179.24 177.86 1rwt h HIS 212 N 0.69 1.22 0.00 4.55 2.76 -0.60 -0.91 115.15 122.85 1rwt h HIS 212 Ca 0.22 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 1rwt h HIS 212 Cb -0.01 -0.41 0.00 0.00 1.55 0.00 0.00 27.41 28.54 1rwt h HIS 212 CO -0.05 0.69 0.00 -0.07 -1.30 0.00 0.00 177.93 177.20 1rwt h LEU 213 N 1.25 0.00 -0.48 0.26 3.38 0.02 -0.17 115.31 119.56 1rwt h LEU 213 Ca 0.40 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.23 1rwt h LEU 213 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1rwt h LEU 213 CO -0.13 0.00 -0.69 0.00 0.09 0.00 0.00 178.44 177.71 1rwt h ALA 214 N 2.03 0.76 -0.85 1.53 0.00 0.35 -3.41 119.26 119.67 1rwt h ALA 214 Ca 0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 54.22 1rwt h ALA 214 Cb 0.66 -0.11 -0.18 0.00 0.00 0.00 0.00 17.79 18.17 1rwt h ALA 214 CO 0.00 0.86 -0.40 0.34 0.00 0.00 0.00 179.25 180.05 1rwt s ASP 215 N -6.71 -1.28 0.24 0.00 -1.08 -1.04 -5.05 116.67 101.76 1rwt s ASP 215 Ca 0.00 -0.99 -0.05 0.00 -0.52 0.00 0.00 52.55 50.99 1rwt s ASP 215 Cb 0.11 1.65 0.45 0.00 -1.46 0.00 0.00 42.92 43.67 1rwt s ASP 215 CO 0.77 -0.10 1.70 -0.65 0.52 0.00 0.00 175.17 177.41 1rwt h PRO 216 N 5.96 0.32 -0.04 4.34 0.11 -1.26 0.30 132.00 141.73 1rwt h PRO 216 Ca 0.04 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.92 1rwt h PRO 216 Cb 1.16 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1rwt h PRO 216 CO 0.04 0.21 -0.83 0.28 -0.21 0.00 0.00 178.00 177.49 1rwt h VAL 217 N 0.33 1.39 0.03 3.15 2.07 -1.97 -3.35 116.25 117.91 1rwt h VAL 217 Ca 0.41 -2.28 -0.31 0.00 0.82 0.00 0.00 66.70 65.33 1rwt h VAL 217 Cb 0.66 2.25 -0.04 0.00 -1.52 0.00 0.00 31.29 32.64 1rwt h VAL 217 CO -0.46 0.69 -1.78 0.59 0.02 0.00 0.00 177.57 176.63 1rwt n ASN 218 N -3.80 1.22 -4.36 0.57 3.02 -1.10 -4.66 115.26 106.16 1rwt n ASN 218 Ca -0.06 0.37 -0.45 0.00 -0.03 0.00 0.00 54.58 54.41 1rwt n ASN 218 Cb 0.77 -0.29 -0.00 0.00 -0.61 0.00 0.00 39.78 39.64 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 -6.36 7.17 0.35 6.41 0.01 0.10 -4.65 114.94 117.98 1rwt s ASN 219 Ca -0.09 -3.30 -0.05 0.00 -0.71 0.00 0.00 52.86 48.70 1rwt s ASN 219 Cb 0.08 -2.24 0.02 0.00 0.41 0.00 0.00 41.25 39.52 1rwt s ASN 219 CO 0.81 -0.43 0.55 -0.46 -1.51 0.00 0.00 177.10 176.07 1rwt n ASN 220 N 3.45 -1.56 -0.17 -1.22 0.23 -1.26 -4.15 115.26 110.59 1rwt n ASN 220 Ca 0.24 -2.73 0.14 0.00 -0.53 0.00 0.00 54.58 51.70 1rwt n ASN 220 Cb 0.41 2.79 0.48 0.00 -2.08 0.00 0.00 39.78 41.38 1rwt n ASN 220 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1rwt h ALA 221 N 2.01 2.06 0.00 -2.53 0.00 -1.96 -0.68 119.26 118.16 1rwt h ALA 221 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1rwt h ALA 221 Cb 1.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1rwt h ALA 221 CO 0.37 -0.25 0.09 -1.49 0.00 0.00 0.00 179.25 177.97 1rwt h TRP 222 N 0.46 0.00 0.00 0.00 -0.00 -1.96 0.20 115.95 114.65 1rwt h TRP 222 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.26 1rwt h TRP 222 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.94 1rwt h TRP 222 CO -0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 178.44 176.73 1rwt n ASN 223 N -2.25 0.73 -0.01 -3.49 4.05 -0.26 -3.05 115.26 110.98 1rwt n ASN 223 Ca -0.01 0.65 0.01 0.00 0.45 0.00 0.00 54.58 55.68 1rwt n ASN 223 Cb 0.13 -0.81 0.02 0.00 1.23 0.00 0.00 39.78 40.34 1rwt n ASN 223 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1rwt n PHE 224 N -2.27 0.00 0.26 1.20 3.01 0.06 -4.76 117.46 114.95 1rwt n PHE 224 Ca 0.03 -0.54 0.17 0.00 1.01 0.00 0.00 57.45 58.12 1rwt n PHE 224 Cb 0.29 -0.06 0.92 0.00 -0.01 0.00 0.00 39.48 40.61 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 0.00 1.01 -0.12 4.37 0.00 -1.56 -2.28 119.26 120.68 1rwt h ALA 225 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1rwt h ALA 225 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1rwt h ALA 225 CO 0.00 -0.01 -0.03 0.25 0.00 0.00 0.00 179.25 179.46 1rwt n THR 226 N -2.69 2.11 1.22 0.00 -2.24 -1.26 -4.63 114.28 106.79 1rwt n THR 226 Ca -0.02 -2.21 0.13 0.00 -2.27 0.00 0.00 64.05 59.68 1rwt n THR 226 Cb 0.06 -0.25 0.34 0.00 -2.10 0.00 0.00 70.33 68.38 1rwt n THR 226 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1rwt n ASN 227 N -1.04 1.13 -2.38 3.42 4.13 -0.86 -4.21 115.26 115.45 1rwt n ASN 227 Ca 0.19 -0.96 -0.08 0.00 1.68 0.00 0.00 54.58 55.42 1rwt n ASN 227 Cb 0.77 0.17 0.04 0.00 -1.54 0.00 0.00 39.78 39.22 1rwt n ASN 227 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1rwt n PHE 228 N -0.58 1.64 -3.31 3.10 3.01 -1.26 -5.07 117.46 114.98 1rwt n PHE 228 Ca 0.12 -2.04 -0.38 0.00 1.01 0.00 0.00 57.45 56.16 1rwt n PHE 228 Cb 0.36 -0.26 -0.06 0.00 -0.01 0.00 0.00 39.48 39.51 1rwt n PHE 228 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1rwt s VAL 229 N -3.81 5.18 -0.47 -4.37 0.11 -1.26 -4.98 120.40 110.81 1rwt s VAL 229 Ca 0.36 0.94 -0.32 0.00 -2.93 0.00 0.00 61.98 60.02 1rwt s VAL 229 Cb 0.36 -3.81 -0.12 0.00 -1.53 0.00 0.00 36.38 31.28 1rwt s VAL 229 CO -0.02 0.31 2.31 -2.65 -3.33 0.00 0.00 175.10 171.72 1rwt n PRO 230 N 3.80 0.95 0.00 1.54 -0.02 -1.26 -5.18 135.00 134.83 1rwt n PRO 230 Ca -0.07 0.20 0.13 0.00 -2.02 0.00 0.00 63.50 61.74 1rwt n PRO 230 Cb 0.51 -2.56 0.75 0.00 -0.02 0.00 0.00 33.50 32.19 1rwt n PRO 230 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89