#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 1.26 -0.00 4.33 -0.04 -1.26 -3.64 135.00 135.65 1rwt n PRO 15 Ca 0.00 -0.38 0.07 0.00 -0.04 0.00 0.00 63.50 63.14 1rwt n PRO 15 Cb 0.00 -1.45 -0.08 0.00 -0.04 0.00 0.00 33.50 31.93 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 -0.50 0.00 -4.15 0.54 5.03 -1.26 -1.34 117.44 115.75 1rwt n TRP 16 Ca 0.20 0.00 -0.10 0.00 3.03 0.00 0.00 57.50 60.63 1rwt n TRP 16 Cb 0.19 -0.02 -0.10 0.00 -1.03 0.00 0.00 31.31 30.36 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 -2.38 0.83 0.00 -5.99 2.02 -1.24 -4.67 117.35 105.92 1rwt s TYR 17 Ca 0.05 -1.04 0.00 0.00 -0.37 0.00 0.00 57.07 55.71 1rwt s TYR 17 Cb 0.11 -0.50 0.00 0.00 -0.40 0.00 0.00 41.96 41.17 1rwt s TYR 17 CO 0.59 -0.30 0.00 0.41 -1.57 0.00 0.00 175.55 174.68 1rwt n GLY 18 N -0.04 -2.38 0.21 0.71 0.00 -0.20 -4.13 105.19 99.35 1rwt n GLY 18 Ca -0.10 -1.69 0.08 0.00 0.00 0.00 0.00 46.02 44.30 1rwt n GLY 18 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1rwt h PRO 19 N 0.00 0.00 -0.69 1.61 0.11 -1.89 -3.25 132.00 127.88 1rwt h PRO 19 Ca 0.00 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.72 1rwt h PRO 19 Cb 0.00 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 30.88 1rwt h PRO 19 CO 0.00 0.28 0.25 -0.25 -0.21 0.00 0.00 178.00 178.07 1rwt n ASP 20 N -3.42 3.70 -4.86 -2.05 8.00 -1.26 -5.01 116.55 111.64 1rwt n ASP 20 Ca 0.00 -3.73 -0.31 0.00 0.71 0.00 0.00 54.79 51.46 1rwt n ASP 20 Cb 0.47 -0.73 -0.00 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 -3.36 3.69 0.53 -1.24 1.70 -1.23 -4.82 118.95 114.22 1rwt s ARG 21 Ca 0.52 0.78 -0.21 0.00 -0.47 0.00 0.00 55.73 56.35 1rwt s ARG 21 Cb 0.45 -2.11 -0.05 0.00 -0.57 0.00 0.00 34.95 32.66 1rwt s ARG 21 CO 0.04 -0.47 1.24 0.14 -1.08 0.00 0.00 175.30 175.17 1rwt s VAL 22 N -3.00 2.64 0.27 4.99 -7.23 -0.45 -5.01 120.40 112.61 1rwt s VAL 22 Ca 0.56 0.45 0.11 0.00 -1.81 0.00 0.00 61.98 61.30 1rwt s VAL 22 Cb -0.11 -3.22 -0.05 0.00 0.56 0.00 0.00 36.38 33.57 1rwt s VAL 22 CO 0.47 -0.03 -0.20 -0.54 -0.31 0.00 0.00 175.10 174.49 1rwt s LYS 23 N -2.97 1.63 0.63 4.82 -0.14 -1.26 -4.50 119.74 117.94 1rwt s LYS 23 Ca 0.70 -1.73 0.40 0.00 -1.36 0.00 0.00 55.97 53.98 1rwt s LYS 23 Cb -0.33 -1.69 2.08 0.00 -1.68 0.00 0.00 37.83 36.21 1rwt s LYS 23 CO 0.38 0.32 2.26 0.10 -0.76 0.00 0.00 175.35 177.64 1rwt h TYR 24 N 2.36 0.00 -0.34 3.18 -0.00 -1.66 -2.43 116.97 118.08 1rwt h TYR 24 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.33 1rwt h TYR 24 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.98 1rwt h TYR 24 CO 0.79 0.01 0.00 1.28 -0.00 0.00 0.00 178.16 180.24 1rwt n LEU 25 N -3.19 4.16 0.00 0.10 4.77 -1.26 -5.02 117.00 116.57 1rwt n LEU 25 Ca -0.02 -2.87 0.00 0.00 -0.03 0.00 0.00 56.01 53.09 1rwt n LEU 25 Cb 0.14 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1rwt n LEU 25 CO 0.23 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1rwt n GLY 26 N -0.13 3.32 0.30 -0.72 0.00 -0.92 -1.26 105.19 105.79 1rwt n GLY 26 Ca 0.22 -0.11 0.19 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 -0.23 1.61 0.11 -1.97 -2.40 132.00 129.12 1rwt h PRO 27 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1rwt h PRO 27 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1rwt h PRO 27 CO 0.00 0.02 0.00 1.19 -0.21 0.00 0.00 178.00 179.00 1rwt n PHE 28 N -3.20 0.29 0.31 0.65 3.01 -0.39 -4.42 117.46 113.71 1rwt n PHE 28 Ca -0.01 -0.15 0.19 0.00 1.01 0.00 0.00 57.45 58.49 1rwt n PHE 28 Cb 0.19 0.00 1.03 0.00 -0.01 0.00 0.00 39.48 40.70 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 2.67 0.00 0.00 4.37 0.02 -1.36 -3.47 113.55 115.78 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 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 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 -1.21 1.22 3.64 -3.77 0.00 -1.26 -4.51 105.19 99.31 1rwt n GLY 30 Ca -0.02 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 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 4.13 0.52 1.61 2.12 -1.26 -5.04 118.70 120.79 1rwt s GLU 31 Ca 0.00 1.07 -0.19 0.00 0.36 0.00 0.00 54.97 56.21 1rwt s GLU 31 Cb 0.00 -3.69 -0.07 0.00 0.26 0.00 0.00 34.13 30.63 1rwt s GLU 31 CO 0.00 -0.71 1.07 0.45 -0.54 0.00 0.00 175.26 175.53 1rwt s SER 32 N 1.44 6.04 0.23 -1.70 0.15 -1.26 -4.97 113.70 113.63 1rwt s SER 32 Ca 0.41 2.00 -0.32 0.00 0.70 0.00 0.00 55.95 58.74 1rwt s SER 32 Cb -0.14 -2.56 -0.13 0.00 -1.71 0.00 0.00 66.02 61.48 1rwt s SER 32 CO 0.10 -0.99 1.50 -2.65 1.20 0.00 0.00 173.24 172.40 1rwt n PRO 33 N -1.25 2.22 -0.07 5.44 -0.02 -1.26 -4.86 135.00 135.20 1rwt n PRO 33 Ca 0.10 0.79 0.21 0.00 -2.02 0.00 0.00 63.50 62.59 1rwt n PRO 33 Cb 0.52 -2.51 0.67 0.00 -0.02 0.00 0.00 33.50 32.16 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 4.81 0.07 0.58 2.55 4.64 -2.01 -0.32 113.55 123.88 1rwt h SER 34 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1rwt h SER 34 Cb 1.26 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1rwt h SER 34 CO 0.80 0.03 -0.15 0.00 -0.87 0.00 0.00 176.83 176.65 1rwt n TYR 35 N -4.37 0.00 -3.48 4.77 0.18 -1.26 -4.38 117.16 108.61 1rwt n TYR 35 Ca 0.13 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.49 1rwt n TYR 35 Cb 0.68 -0.29 -0.04 0.00 -0.38 0.00 0.00 39.34 39.31 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 -2.73 6.06 0.00 -3.48 1.43 -0.13 -4.90 118.68 114.93 1rwt s LEU 36 Ca 0.21 -3.28 0.19 0.00 -1.03 0.00 0.00 54.13 50.22 1rwt s LEU 36 Cb 0.19 -2.07 0.64 0.00 0.03 0.00 0.00 46.19 44.98 1rwt s LEU 36 CO 0.53 -0.34 1.48 0.35 0.23 0.00 0.00 176.35 178.60 1rwt n THR 37 N 3.05 0.29 -2.01 5.49 -2.24 -1.26 -4.69 114.28 112.91 1rwt n THR 37 Ca 0.18 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1rwt n THR 37 Cb 0.40 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 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 1.15 0.57 0.14 3.38 0.00 -1.26 -4.38 105.19 104.78 1rwt n GLY 38 Ca 0.16 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.88 0.72 -4.04 1.61 2.13 -1.26 -1.04 120.64 117.87 1rwt n GLU 39 Ca 0.00 0.23 -0.22 0.00 0.66 0.00 0.00 57.16 57.83 1rwt n GLU 39 Cb 0.47 -1.64 -0.03 0.00 0.27 0.00 0.00 31.44 30.51 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 -2.54 3.27 0.54 4.31 0.08 -1.26 -5.00 117.98 117.38 1rwt s PHE 40 Ca -0.27 -0.05 -0.22 0.00 0.12 0.00 0.00 56.93 56.51 1rwt s PHE 40 Cb 0.08 -1.49 -0.06 0.00 -0.57 0.00 0.00 43.02 40.98 1rwt s PHE 40 CO 0.70 0.49 1.30 -2.30 -0.10 0.00 0.00 175.22 175.31 1rwt n PRO 41 N -1.17 1.63 -1.27 0.24 -0.02 -1.26 -2.98 135.00 130.19 1rwt n PRO 41 Ca -0.08 0.60 -0.09 0.00 -2.02 0.00 0.00 63.50 61.91 1rwt n PRO 41 Cb 0.57 -2.50 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 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 0.82 1.03 3.55 -1.23 0.00 -1.26 -4.94 105.19 103.16 1rwt n GLY 42 Ca 0.10 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.63 6.52 -0.10 1.61 -1.08 -1.16 -4.73 116.67 115.10 1rwt s ASP 43 Ca 0.00 -1.53 0.12 0.00 -0.52 0.00 0.00 52.55 50.62 1rwt s ASP 43 Cb 0.00 -2.55 0.53 0.00 -1.46 0.00 0.00 42.92 39.44 1rwt s ASP 43 CO 0.00 -1.46 1.38 -1.22 0.52 0.00 0.00 175.17 174.39 1rwt n TYR 44 N 8.63 1.17 -2.70 -5.34 4.02 -1.26 -4.80 117.16 116.87 1rwt n TYR 44 Ca 0.32 -0.45 -0.13 0.00 -0.01 0.00 0.00 57.90 57.64 1rwt n TYR 44 Cb 0.51 -0.24 0.02 0.00 -0.02 0.00 0.00 39.34 39.61 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 0.78 -0.00 3.24 2.72 0.00 -1.26 -1.66 105.19 109.00 1rwt n GLY 45 Ca 0.19 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.91 3.16 -0.41 1.61 -0.00 -1.26 -4.53 118.94 114.61 1rwt s TRP 46 Ca 0.18 -1.46 0.06 0.00 -0.00 0.00 0.00 56.10 54.87 1rwt s TRP 46 Cb -0.08 -2.15 0.32 0.00 -0.00 0.00 0.00 33.47 31.56 1rwt s TRP 46 CO 0.22 -0.71 1.22 -3.47 -0.00 0.00 0.00 176.95 174.22 1rwt n ASP 47 N 4.73 -1.93 0.32 5.86 4.64 -1.26 -5.01 116.55 123.89 1rwt n ASP 47 Ca -0.15 -2.88 0.21 0.00 -1.38 0.00 0.00 54.79 50.59 1rwt n ASP 47 Cb 0.46 1.48 1.10 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 2.07 0.00 -0.01 5.18 1.35 -2.05 0.23 112.91 119.69 1rwt h THR 48 Ca -0.23 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1rwt h THR 48 Cb 1.18 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1rwt h THR 48 CO 0.02 0.00 -0.32 0.00 -0.25 0.00 0.00 175.52 174.98 1rwt n ALA 49 N -2.06 3.21 -2.59 6.62 0.00 -1.26 -4.94 120.51 119.48 1rwt n ALA 49 Ca -0.02 -0.45 -0.21 0.00 0.00 0.00 0.00 53.44 52.76 1rwt n ALA 49 Cb 0.11 -1.06 0.01 0.00 0.00 0.00 0.00 19.45 18.51 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 1.36 -0.48 0.15 0.00 0.00 0.07 -4.88 105.19 101.41 1rwt n GLY 50 Ca 0.11 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.45 0.00 -3.07 0.99 3.38 -1.92 -3.09 115.31 111.15 1rwt h LEU 51 Ca -0.50 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 1rwt h LEU 51 Cb 1.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 1rwt h LEU 51 CO 0.57 0.00 -0.03 -1.20 0.09 0.00 0.00 178.44 177.87 1rwt n SER 52 N -2.36 2.65 -0.34 -0.43 7.64 -1.26 -4.71 113.62 114.81 1rwt n SER 52 Ca 0.02 -3.15 0.05 0.00 1.01 0.00 0.00 58.87 56.81 1rwt n SER 52 Cb 0.26 -0.47 0.23 0.00 -1.01 0.00 0.00 64.21 63.22 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 0.48 1.50 -2.17 -0.43 0.00 -1.94 -3.39 119.26 113.32 1rwt h ALA 53 Ca 0.01 -0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 1rwt h ALA 53 Cb 1.12 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 1rwt h ALA 53 CO 0.06 0.31 0.66 0.34 0.00 0.00 0.00 179.25 180.62 1rwt s ASP 54 N -5.84 7.04 0.45 0.00 -1.08 -1.26 -4.94 116.67 111.04 1rwt s ASP 54 Ca -0.12 1.30 0.19 0.00 -0.52 0.00 0.00 52.55 53.39 1rwt s ASP 54 Cb 0.21 -2.51 1.15 0.00 -1.46 0.00 0.00 42.92 40.31 1rwt s ASP 54 CO 0.81 -0.59 1.93 1.55 0.52 0.00 0.00 175.17 179.39 1rwt h PRO 55 N 7.46 0.30 -0.11 4.34 0.13 -1.99 0.15 132.00 142.27 1rwt h PRO 55 Ca -0.22 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.86 1rwt h PRO 55 Cb 1.08 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 1rwt h PRO 55 CO 0.93 0.20 -0.05 1.49 -0.23 0.00 0.00 178.00 180.33 1rwt h GLU 56 N 0.31 0.24 -0.29 0.86 4.81 -1.93 -2.01 114.58 116.57 1rwt h GLU 56 Ca 0.35 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.40 1rwt h GLU 56 Cb 0.94 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 1rwt h GLU 56 CO -0.09 0.58 -0.14 1.15 -0.73 0.00 0.00 179.01 179.78 1rwt h THR 57 N -0.11 1.24 -0.41 0.32 2.02 -1.77 -2.55 112.91 111.64 1rwt h THR 57 Ca 0.03 -1.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.14 1rwt h THR 57 Cb 0.51 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1rwt h THR 57 CO 0.02 0.34 0.24 0.15 0.37 0.00 0.00 175.52 176.64 1rwt h PHE 58 N 0.47 0.56 -0.42 3.16 3.57 -0.90 0.23 116.94 123.61 1rwt h PHE 58 Ca 0.08 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.62 1rwt h PHE 58 Cb 0.52 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 1rwt h PHE 58 CO 0.02 0.41 0.17 0.00 -2.23 0.00 0.00 178.31 176.68 1rwt h ALA 59 N 1.10 0.51 -0.63 2.41 0.00 -1.04 0.21 119.26 121.81 1rwt h ALA 59 Ca 0.15 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1rwt h ALA 59 Cb 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1rwt h ALA 59 CO -0.03 -0.20 0.31 0.87 0.00 0.00 0.00 179.25 180.20 1rwt h LYS 60 N 0.36 0.91 -0.15 0.00 1.79 -1.02 -2.32 116.57 116.15 1rwt h LYS 60 Ca 0.19 -0.13 -0.07 0.00 -2.18 0.00 0.00 60.65 58.45 1rwt h LYS 60 Cb 0.14 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 1rwt h LYS 60 CO -0.17 0.72 -0.23 -0.91 -1.08 0.00 0.00 179.45 177.78 1rwt h ASN 61 N 0.87 0.25 0.02 0.86 2.35 -0.06 -0.88 115.58 118.99 1rwt h ASN 61 Ca 0.22 -0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.83 1rwt h ASN 61 Cb 0.11 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1rwt h ASN 61 CO -0.03 0.50 -0.19 0.03 -1.65 0.00 0.00 177.43 176.09 1rwt h ARG 62 N 0.23 0.31 -0.05 0.81 3.08 -0.46 0.71 114.38 119.00 1rwt h ARG 62 Ca 0.04 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 1rwt h ARG 62 Cb 0.55 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.57 1rwt h ARG 62 CO 0.04 0.49 -0.47 0.93 -1.07 0.00 0.00 179.97 179.89 1rwt h GLU 63 N 0.28 0.41 -0.82 0.04 5.08 -0.88 -2.32 114.58 116.38 1rwt h GLU 63 Ca 0.05 -0.37 0.06 0.00 -1.00 0.00 0.00 59.36 58.10 1rwt h GLU 63 Cb 0.50 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 1rwt h GLU 63 CO 0.03 1.02 0.50 -0.07 -1.00 0.00 0.00 179.01 179.49 1rwt h LEU 64 N -0.07 0.77 0.07 1.33 3.38 -0.92 -1.00 115.31 118.87 1rwt h LEU 64 Ca -0.04 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1rwt h LEU 64 Cb 1.14 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1rwt h LEU 64 CO 0.09 0.49 -0.03 -0.08 0.09 0.00 0.00 178.44 179.00 1rwt h GLU 65 N 0.90 -0.09 -0.38 1.13 4.81 -0.82 0.02 114.58 120.15 1rwt h GLU 65 Ca 0.36 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.55 1rwt h GLU 65 Cb 0.19 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1rwt h GLU 65 CO -0.18 0.13 0.06 0.28 -0.73 0.00 0.00 179.01 178.57 1rwt h VAL 66 N -0.29 1.24 -0.40 0.32 2.07 -1.25 0.11 116.25 118.06 1rwt h VAL 66 Ca -0.01 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1rwt h VAL 66 Cb 0.25 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1rwt h VAL 66 CO 0.02 0.29 0.19 0.40 0.02 0.00 0.00 177.57 178.49 1rwt h ILE 67 N 0.48 1.17 -0.88 4.57 1.08 -1.20 -0.77 117.51 121.95 1rwt h ILE 67 Ca 0.12 -0.49 0.03 0.00 -0.39 0.00 0.00 64.86 64.12 1rwt h ILE 67 Cb 0.37 0.76 -0.05 0.00 -3.07 0.00 0.00 36.82 34.84 1rwt h ILE 67 CO 0.01 0.19 0.58 0.45 -0.69 0.00 0.00 178.15 178.69 1rwt h HIS 68 N 0.50 1.08 0.19 1.37 3.86 -0.80 -1.99 115.15 119.37 1rwt h HIS 68 Ca 0.14 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.38 1rwt h HIS 68 Cb 0.12 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.20 1rwt h HIS 68 CO -0.01 0.65 -0.23 0.00 0.86 0.00 0.00 177.93 179.19 1rwt h ARG 70 N -0.47 1.12 -0.39 0.00 3.08 -0.86 -0.96 114.38 115.90 1rwt h ARG 70 Ca 0.01 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1rwt h ARG 70 Cb 0.45 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1rwt h ARG 70 CO -0.08 0.74 -0.02 -1.49 -1.07 0.00 0.00 179.97 178.05 1rwt h TRP 71 N 1.15 0.66 -0.01 3.04 4.06 -1.12 -2.64 115.95 121.10 1rwt h TRP 71 Ca 0.34 -0.08 -0.16 0.00 2.06 0.00 0.00 58.89 61.04 1rwt h TRP 71 Cb -0.07 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 27.89 1rwt h TRP 71 CO -0.01 0.65 -0.74 0.00 -3.56 0.00 0.00 178.44 174.77 1rwt h ALA 72 N 1.39 0.74 -0.38 1.49 0.00 -0.59 -1.17 119.26 120.74 1rwt h ALA 72 Ca 0.12 -0.65 -0.15 0.00 0.00 0.00 0.00 54.91 54.22 1rwt h ALA 72 Cb 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1rwt h ALA 72 CO 0.02 0.87 -0.37 0.52 0.00 0.00 0.00 179.25 180.29 1rwt h MET 73 N 0.06 0.91 -0.23 0.00 2.86 -1.00 0.21 114.93 117.74 1rwt h MET 73 Ca -0.02 -0.47 -0.15 0.00 -2.06 0.00 0.00 59.70 57.00 1rwt h MET 73 Cb 1.30 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.97 1rwt h MET 73 CO 0.10 1.12 -0.49 -0.07 1.06 0.00 0.00 176.91 178.63 1rwt h LEU 74 N 0.74 0.68 -0.36 1.22 3.38 -1.45 -3.02 115.31 116.50 1rwt h LEU 74 Ca 0.06 -0.34 -0.14 0.00 0.09 0.00 0.00 57.88 57.55 1rwt h LEU 74 Cb 0.95 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1rwt h LEU 74 CO 0.09 1.06 -0.33 1.23 0.09 0.00 0.00 178.44 180.58 1rwt h GLY 75 N 1.00 0.93 0.87 0.83 0.00 -0.92 -0.78 103.07 105.00 1rwt h GLY 75 Ca 0.02 -0.94 -0.01 0.00 0.00 0.00 0.00 47.33 46.41 1rwt h GLY 75 CO 0.10 0.85 0.05 0.00 0.00 0.00 0.00 176.54 177.54 1rwt h ALA 76 N 0.76 0.18 -0.56 3.60 0.00 -0.62 0.89 119.26 123.51 1rwt h ALA 76 Ca 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1rwt h ALA 76 Cb 0.91 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1rwt h ALA 76 CO 0.08 -0.23 0.32 1.25 0.00 0.00 0.00 179.25 180.68 1rwt h LEU 77 N 0.06 0.68 -0.81 0.00 5.85 -1.55 -2.18 115.31 117.37 1rwt h LEU 77 Ca 0.05 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 1rwt h LEU 77 Cb 0.18 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1rwt h LEU 77 CO -0.00 0.55 -0.02 1.23 -0.34 0.00 0.00 178.44 179.87 1rwt h GLY 78 N 0.75 0.95 1.41 3.75 0.00 -0.95 -0.01 103.07 108.97 1rwt h GLY 78 Ca 0.20 -0.67 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 1rwt h GLY 78 CO -0.04 0.62 -0.16 0.00 0.00 0.00 0.00 176.54 176.96 1rwt h VAL 80 N 0.62 1.33 -0.25 0.00 2.07 -1.19 -3.38 116.25 115.45 1rwt h VAL 80 Ca 0.10 -2.50 0.03 0.00 0.82 0.00 0.00 66.70 65.15 1rwt h VAL 80 Cb 0.63 3.02 -0.06 0.00 -1.52 0.00 0.00 31.29 33.36 1rwt h VAL 80 CO 0.04 0.72 -0.43 0.15 0.02 0.00 0.00 177.57 178.08 1rwt h PHE 81 N -0.31 -1.29 -0.86 1.57 3.57 -1.09 -0.68 116.94 117.85 1rwt h PHE 81 Ca -0.21 0.06 0.13 0.00 3.53 0.00 0.00 57.97 61.49 1rwt h PHE 81 Cb 1.72 0.60 -0.09 0.00 2.79 0.00 0.00 35.95 40.97 1rwt h PHE 81 CO 0.17 -0.39 0.46 -1.35 -2.23 0.00 0.00 178.31 174.97 1rwt h PRO 82 N -0.35 0.67 0.00 6.41 0.11 -1.80 0.25 132.00 137.30 1rwt h PRO 82 Ca 0.05 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1rwt h PRO 82 Cb 0.47 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 1rwt h PRO 82 CO -0.42 0.44 -0.17 1.49 -0.21 0.00 0.00 178.00 179.13 1rwt h GLU 83 N 0.69 0.00 -0.01 1.05 4.81 -1.38 -0.69 114.58 119.04 1rwt h GLU 83 Ca 0.45 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.56 1rwt h GLU 83 Cb 0.58 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.97 1rwt h GLU 83 CO -0.33 0.17 -0.49 1.25 -0.73 0.00 0.00 179.01 178.88 1rwt h LEU 84 N 0.00 0.45 -1.09 1.64 5.85 0.54 -2.50 115.31 120.19 1rwt h LEU 84 Ca -0.00 -0.75 -0.09 0.00 0.84 0.00 0.00 57.88 57.88 1rwt h LEU 84 Cb 0.48 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1rwt h LEU 84 CO 0.02 1.14 -0.35 -0.07 -0.34 0.00 0.00 178.44 178.84 1rwt h LEU 85 N -0.20 0.19 -0.67 2.25 3.38 -1.10 -2.69 115.31 116.47 1rwt h LEU 85 Ca -0.06 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1rwt h LEU 85 Cb 1.20 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1rwt h LEU 85 CO 0.10 0.53 -0.10 0.00 0.09 0.00 0.00 178.44 179.06 1rwt h ALA 86 N 1.48 0.86 0.00 1.53 0.00 -1.13 -0.20 119.26 121.81 1rwt h ALA 86 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1rwt h ALA 86 Cb 0.70 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1rwt h ALA 86 CO 0.05 0.65 0.00 0.54 0.00 0.00 0.00 179.25 180.49 1rwt n ARG 87 N -4.15 0.82 -0.52 0.00 1.74 -0.94 -2.71 116.66 110.89 1rwt n ARG 87 Ca 0.02 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.16 1rwt n ARG 87 Cb 0.38 -1.36 0.12 0.00 -1.02 0.00 0.00 32.46 30.59 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 -0.86 1.57 0.00 0.55 4.13 -0.73 -5.00 115.26 114.92 1rwt n ASN 88 Ca 0.14 -3.04 0.00 0.00 1.68 0.00 0.00 54.58 53.36 1rwt n ASN 88 Cb 0.06 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 37.90 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 -0.82 2.85 3.70 7.41 0.00 -1.10 -5.02 105.19 112.21 1rwt n GLY 89 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1rwt n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rwt s VAL 90 N -2.58 4.01 -0.51 1.61 1.01 -0.16 -4.98 120.40 118.79 1rwt s VAL 90 Ca 0.00 1.42 -0.18 0.00 0.00 0.00 0.00 61.98 63.22 1rwt s VAL 90 Cb 0.00 -3.91 0.07 0.00 0.00 0.00 0.00 36.38 32.54 1rwt s VAL 90 CO 0.00 0.07 0.58 -0.54 0.00 0.00 0.00 175.10 175.21 1rwt s LYS 91 N 1.52 3.07 0.32 2.72 1.02 -1.26 -3.98 119.74 123.15 1rwt s LYS 91 Ca 0.59 -1.11 0.02 0.00 0.02 0.00 0.00 55.97 55.49 1rwt s LYS 91 Cb -0.29 -4.14 -0.03 0.00 -0.52 0.00 0.00 37.83 32.85 1rwt s LYS 91 CO 0.27 -1.24 0.50 -0.06 -0.92 0.00 0.00 175.35 173.90 1rwt s PHE 92 N 2.35 3.43 0.16 3.18 0.08 -1.26 -4.02 117.98 121.91 1rwt s PHE 92 Ca 0.11 0.18 -0.12 0.00 0.12 0.00 0.00 56.93 57.22 1rwt s PHE 92 Cb -0.22 -1.84 0.05 0.00 -0.57 0.00 0.00 43.02 40.44 1rwt s PHE 92 CO 0.09 0.16 1.68 0.78 -0.10 0.00 0.00 175.22 177.84 1rwt h GLY 93 N 0.86 0.93 -6.29 4.36 0.00 -1.94 -3.41 103.07 97.58 1rwt h GLY 93 Ca -0.50 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 46.18 1rwt h GLY 93 CO 0.60 0.53 -0.43 1.85 0.00 0.00 0.00 176.54 179.09 1rwt s GLU 94 N -5.37 0.43 0.21 4.80 2.56 -1.26 -5.04 118.70 115.02 1rwt s GLU 94 Ca -0.13 0.60 0.18 0.00 0.00 0.00 0.00 54.97 55.62 1rwt s GLU 94 Cb 0.12 -0.14 0.01 0.00 2.00 0.00 0.00 34.13 36.13 1rwt s GLU 94 CO 0.80 -0.72 1.18 0.00 -0.56 0.00 0.00 175.26 175.96 1rwt h ALA 95 N 8.12 0.67 -2.43 6.30 0.00 -1.90 -3.39 119.26 126.63 1rwt h ALA 95 Ca -0.18 -0.47 -0.54 0.00 0.00 0.00 0.00 54.91 53.72 1rwt h ALA 95 Cb 1.15 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1rwt h ALA 95 CO 0.26 0.56 0.71 0.08 0.00 0.00 0.00 179.25 180.86 1rwt s VAL 96 N -3.04 3.80 0.25 0.00 1.01 -1.26 -3.24 120.40 117.93 1rwt s VAL 96 Ca 0.01 1.24 -0.05 0.00 0.00 0.00 0.00 61.98 63.19 1rwt s VAL 96 Cb 0.08 -3.80 0.28 0.00 0.00 0.00 0.00 36.38 32.94 1rwt s VAL 96 CO 0.77 0.05 1.64 4.11 0.00 0.00 0.00 175.10 181.67 1rwt h TRP 97 N 7.25 0.06 0.00 5.22 5.08 -1.89 -0.03 115.95 131.64 1rwt h TRP 97 Ca -0.39 0.05 0.00 0.00 1.08 0.00 0.00 58.89 59.63 1rwt h TRP 97 Cb 1.19 0.10 0.00 0.00 -3.00 0.00 0.00 29.16 27.45 1rwt h TRP 97 CO 0.70 -0.22 0.00 1.97 -1.28 0.00 0.00 178.44 179.61 1rwt n PHE 98 N -5.31 0.00 0.00 0.12 1.16 -1.26 -2.75 117.46 109.42 1rwt n PHE 98 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.73 1rwt n PHE 98 Cb 0.52 -0.06 0.00 0.00 -1.61 0.00 0.00 39.48 38.33 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 -0.21 3.46 -0.11 3.97 4.76 -0.08 -4.84 118.16 125.12 1rwt n LYS 99 Ca 0.00 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.39 1rwt n LYS 99 Cb 0.14 -0.52 0.02 0.00 -1.84 0.00 0.00 35.03 32.83 1rwt n LYS 99 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rwt h ALA 100 N 0.00 0.35 -0.92 7.82 0.00 -1.22 -2.73 119.26 122.56 1rwt h ALA 100 Ca 0.00 0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.24 1rwt h ALA 100 Cb 0.00 0.18 -0.12 0.00 0.00 0.00 0.00 17.79 17.85 1rwt h ALA 100 CO 0.00 -0.39 0.45 0.78 0.00 0.00 0.00 179.25 180.09 1rwt h GLY 101 N 0.11 1.63 2.00 0.00 0.00 -1.88 -1.22 103.07 103.70 1rwt h GLY 101 Ca 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1rwt h GLY 101 CO -0.31 -0.25 0.00 1.48 0.00 0.00 0.00 176.54 177.47 1rwt h SER 102 N 0.46 0.00 -0.05 0.19 4.64 -1.85 -2.72 113.55 114.22 1rwt h SER 102 Ca 0.58 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.91 1rwt h SER 102 Cb 1.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1rwt h SER 102 CO -0.51 0.00 0.05 1.56 -0.87 0.00 0.00 176.83 177.06 1rwt h GLN 103 N 0.00 0.00 0.00 4.77 4.20 -1.35 -0.27 115.11 122.46 1rwt h GLN 103 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1rwt h GLN 103 Cb 0.10 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1rwt h GLN 103 CO 0.00 0.00 -0.02 0.97 -0.67 0.00 0.00 178.83 179.11 1rwt h ILE 104 N 0.00 0.23 -0.10 2.54 6.09 -1.69 0.45 117.51 125.04 1rwt h ILE 104 Ca 0.02 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 1rwt h ILE 104 Cb 0.12 1.13 0.00 0.00 0.47 0.00 0.00 36.82 38.55 1rwt h ILE 104 CO -0.00 0.02 0.00 0.49 -3.07 0.00 0.00 178.15 175.59 1rwt n PHE 105 N -3.37 0.10 -1.40 2.19 3.72 -0.11 -4.74 117.46 113.85 1rwt n PHE 105 Ca -0.02 -0.05 -0.31 0.00 -0.05 0.00 0.00 57.45 57.02 1rwt n PHE 105 Cb 0.14 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.75 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 -1.85 4.78 0.13 4.37 0.01 0.15 -4.96 113.70 116.34 1rwt s SER 106 Ca 0.34 1.67 -0.24 0.00 1.31 0.00 0.00 55.95 59.03 1rwt s SER 106 Cb 0.20 -2.44 -0.02 0.00 0.21 0.00 0.00 66.02 63.96 1rwt s SER 106 CO 0.31 -1.84 1.64 -0.08 0.41 0.00 0.00 173.24 173.68 1rwt h GLU 107 N -0.99 -0.32 -0.32 12.44 4.81 -1.92 -2.23 114.58 126.04 1rwt h GLU 107 Ca -0.44 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1rwt h GLU 107 Cb 1.23 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1rwt h GLU 107 CO 0.54 -0.21 0.00 0.41 -0.73 0.00 0.00 179.01 179.02 1rwt n GLY 108 N -1.37 0.68 6.63 1.92 0.00 -1.26 -5.05 105.19 106.75 1rwt n GLY 108 Ca -0.03 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 1.13 -1.59 3.35 -0.02 0.00 -0.84 -4.72 105.19 102.50 1rwt n GLY 109 Ca 0.14 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 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 4.66 -0.21 0.99 0.20 -0.28 -4.69 118.68 119.34 1rwt s LEU 110 Ca 0.00 -1.06 -0.08 0.00 0.69 0.00 0.00 54.13 53.68 1rwt s LEU 110 Cb 0.00 -1.99 -0.04 0.00 -0.43 0.00 0.00 46.19 43.73 1rwt s LEU 110 CO 0.00 -0.38 0.10 -1.81 -0.29 0.00 0.00 176.35 173.97 1rwt s ASP 111 N 1.54 5.69 0.13 3.68 1.01 -1.26 -1.68 116.67 125.78 1rwt s ASP 111 Ca 0.01 0.03 -0.31 0.00 0.71 0.00 0.00 52.55 52.99 1rwt s ASP 111 Cb -0.19 -2.00 -0.10 0.00 1.01 0.00 0.00 42.92 41.64 1rwt s ASP 111 CO 0.06 0.10 1.64 -0.47 0.21 0.00 0.00 175.17 176.70 1rwt s TYR 112 N 0.85 2.73 -2.08 4.23 5.04 -0.66 -1.39 117.35 126.08 1rwt s TYR 112 Ca 0.05 0.43 0.00 0.00 -2.44 0.00 0.00 57.07 55.11 1rwt s TYR 112 Cb -0.13 -3.98 0.00 0.00 0.35 0.00 0.00 41.96 38.19 1rwt s TYR 112 CO 0.03 -3.80 0.00 1.28 -1.34 0.00 0.00 175.55 171.71 1rwt n LEU 113 N 4.71 -1.56 0.00 6.97 4.77 -1.26 -1.12 117.00 129.50 1rwt n LEU 113 Ca 0.15 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1rwt n LEU 113 Cb 0.39 -2.82 0.00 0.00 -2.33 0.00 0.00 43.42 38.66 1rwt n LEU 113 CO 0.62 -0.91 0.00 0.61 -1.33 0.00 0.00 177.39 176.39 1rwt n GLY 114 N -0.57 0.41 3.58 -0.72 0.00 -0.48 -4.73 105.19 102.68 1rwt n GLY 114 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.18 6.38 0.58 1.61 3.84 -0.28 -4.95 114.94 119.94 1rwt s ASN 115 Ca 0.00 0.22 0.33 0.00 0.21 0.00 0.00 52.86 53.62 1rwt s ASN 115 Cb 0.00 -2.28 1.79 0.00 -0.55 0.00 0.00 41.25 40.21 1rwt s ASN 115 CO 0.00 -0.42 2.00 -0.65 -2.79 0.00 0.00 177.10 175.24 1rwt h PRO 116 N 8.29 0.00 -0.18 0.43 0.11 -1.91 -0.50 132.00 138.24 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 0.76 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.98 1rwt n SER 117 N -2.79 1.99 -4.14 -2.05 7.64 -1.26 -4.58 113.62 108.44 1rwt n SER 117 Ca -0.02 -1.74 -0.33 0.00 1.01 0.00 0.00 58.87 57.78 1rwt n SER 117 Cb 0.20 -0.11 -0.15 0.00 -1.01 0.00 0.00 64.21 63.14 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 -1.63 2.83 0.00 -3.43 1.43 -0.19 -4.88 118.68 112.81 1rwt s LEU 118 Ca 0.34 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1rwt s LEU 118 Cb 0.19 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.84 1rwt s LEU 118 CO 0.28 -0.09 0.00 0.52 0.23 0.00 0.00 176.35 177.29 1rwt n VAL 119 N 4.59 0.00 -4.05 -1.59 0.31 -1.26 -1.66 118.33 114.68 1rwt n VAL 119 Ca -0.18 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 63.86 1rwt n VAL 119 Cb 0.47 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.38 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 -1.71 -2.01 3.52 -0.00 -1.10 -4.88 115.22 109.04 1rwt n HIS 120 Ca 0.00 0.77 -0.41 0.00 0.46 0.00 0.00 57.72 58.54 1rwt n HIS 120 Cb 0.00 -3.47 -0.01 0.00 -0.12 0.00 0.00 29.99 26.38 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 -3.71 3.52 0.00 1.57 0.00 -0.67 -4.73 121.76 117.74 1rwt s ALA 121 Ca 0.29 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.62 1rwt s ALA 121 Cb -0.16 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1rwt s ALA 121 CO 0.90 -0.78 0.00 1.04 0.00 0.00 0.00 175.76 176.92 1rwt n GLN 122 N 0.69 1.37 -3.96 0.00 1.13 -1.26 -1.12 117.38 114.23 1rwt n GLN 122 Ca 0.00 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.73 1rwt n GLN 122 Cb 0.41 -0.89 -0.14 0.00 0.11 0.00 0.00 30.24 29.73 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 -1.61 4.78 0.30 1.08 0.15 -1.26 -4.96 113.70 112.18 1rwt s SER 123 Ca 0.00 -1.46 -0.01 0.00 0.70 0.00 0.00 55.95 55.18 1rwt s SER 123 Cb 0.00 -1.67 0.46 0.00 -1.71 0.00 0.00 66.02 63.11 1rwt s SER 123 CO 0.00 -0.27 1.92 -0.29 1.20 0.00 0.00 173.24 175.79 1rwt h ILE 124 N 6.56 1.21 -0.69 6.45 6.09 -1.95 -0.81 117.51 134.37 1rwt h ILE 124 Ca -0.18 -0.54 0.04 0.00 -1.37 0.00 0.00 64.86 62.81 1rwt h ILE 124 Cb 1.05 0.32 -0.05 0.00 0.47 0.00 0.00 36.82 38.61 1rwt h ILE 124 CO 0.52 0.24 0.41 -0.07 -3.07 0.00 0.00 178.15 176.18 1rwt h LEU 125 N 0.94 0.65 -0.16 2.19 3.38 -1.99 0.12 115.31 120.45 1rwt h LEU 125 Ca 0.24 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1rwt h LEU 125 Cb 0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1rwt h LEU 125 CO -0.04 0.44 0.04 0.00 0.09 0.00 0.00 178.44 178.97 1rwt h ALA 126 N 1.32 0.20 -0.27 1.53 0.00 -1.68 -0.72 119.26 119.65 1rwt h ALA 126 Ca 0.29 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1rwt h ALA 126 Cb 0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1rwt h ALA 126 CO -0.14 -0.16 -0.05 0.82 0.00 0.00 0.00 179.25 179.72 1rwt h ILE 127 N 0.06 0.75 -0.42 0.00 2.04 -0.76 -2.02 117.51 117.17 1rwt h ILE 127 Ca 0.05 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 65.94 1rwt h ILE 127 Cb 0.25 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1rwt h ILE 127 CO 0.00 0.00 0.18 -0.25 0.00 0.00 0.00 178.15 178.09 1rwt h TRP 128 N 0.02 0.34 -1.00 1.37 7.01 -0.60 -2.32 115.95 120.77 1rwt h TRP 128 Ca 0.13 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.16 1rwt h TRP 128 Cb 0.19 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.11 1rwt h TRP 128 CO -0.25 0.16 0.66 0.00 -2.79 0.00 0.00 178.44 176.22 1rwt h ALA 129 N 1.24 1.30 -0.33 2.65 0.00 -0.71 -1.78 119.26 121.64 1rwt h ALA 129 Ca 0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1rwt h ALA 129 Cb 0.12 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1rwt h ALA 129 CO -0.15 0.64 0.06 0.00 0.00 0.00 0.00 179.25 179.80 1rwt h GLN 131 N 0.37 1.16 -0.35 0.00 4.15 -1.09 0.24 115.11 119.59 1rwt h GLN 131 Ca 0.10 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1rwt h GLN 131 Cb 0.33 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 1rwt h GLN 131 CO 0.00 0.83 0.12 0.28 -1.93 0.00 0.00 178.83 178.13 1rwt h VAL 132 N 1.17 1.20 0.20 2.39 2.07 -1.29 0.32 116.25 122.31 1rwt h VAL 132 Ca 0.30 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1rwt h VAL 132 Cb -0.02 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1rwt h VAL 132 CO -0.05 0.22 -0.09 0.40 0.02 0.00 0.00 177.57 178.06 1rwt h ILE 133 N 0.41 0.90 -0.09 4.57 1.08 -1.13 -1.22 117.51 122.03 1rwt h ILE 133 Ca 0.11 -0.59 -0.01 0.00 -0.39 0.00 0.00 64.86 63.98 1rwt h ILE 133 Cb 0.23 1.25 -0.00 0.00 -3.07 0.00 0.00 36.82 35.22 1rwt h ILE 133 CO -0.01 0.13 0.01 -0.07 -0.69 0.00 0.00 178.15 177.53 1rwt h LEU 134 N -0.56 0.14 -0.76 1.44 3.38 -0.54 -2.21 115.31 116.19 1rwt h LEU 134 Ca -0.03 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.56 1rwt h LEU 134 Cb 0.42 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1rwt h LEU 134 CO 0.04 0.37 -0.31 0.24 0.09 0.00 0.00 178.44 178.87 1rwt h MET 135 N -0.09 0.59 -0.81 1.13 2.86 -1.04 -2.35 114.93 115.22 1rwt h MET 135 Ca 0.03 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.39 1rwt h MET 135 Cb 0.29 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 1rwt h MET 135 CO 0.00 0.83 0.43 0.78 1.06 0.00 0.00 176.91 180.01 1rwt h GLY 136 N 1.02 1.22 0.46 8.32 0.00 -1.18 0.44 103.07 113.36 1rwt h GLY 136 Ca 0.06 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1rwt h GLY 136 CO 0.06 0.54 -0.12 0.00 0.00 0.00 0.00 176.54 177.03 1rwt h ALA 137 N 1.32 -0.32 0.00 3.60 0.00 -1.19 -2.21 119.26 120.45 1rwt h ALA 137 Ca 0.28 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1rwt h ALA 137 Cb 0.06 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1rwt h ALA 137 CO -0.04 -0.41 -0.21 -0.39 0.00 0.00 0.00 179.25 178.20 1rwt h VAL 138 N -0.86 0.90 -0.09 0.00 -1.51 -1.41 0.24 116.25 113.52 1rwt h VAL 138 Ca -0.03 -0.77 -0.19 0.00 -1.23 0.00 0.00 66.70 64.48 1rwt h VAL 138 Cb 0.51 1.45 -0.00 0.00 -2.13 0.00 0.00 31.29 31.12 1rwt h VAL 138 CO 0.05 0.20 -0.73 -0.33 -1.23 0.00 0.00 177.57 175.53 1rwt h GLU 139 N 0.00 0.46 -0.52 5.19 4.39 -0.97 -1.17 114.58 121.96 1rwt h GLU 139 Ca -0.00 -0.37 -0.06 0.00 0.34 0.00 0.00 59.36 59.27 1rwt h GLU 139 Cb 0.43 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1rwt h GLU 139 CO 0.03 1.00 0.10 0.78 -1.16 0.00 0.00 179.01 179.77 1rwt h GLY 140 N 1.19 0.91 1.00 -3.84 0.00 -0.47 -2.70 103.07 99.15 1rwt h GLY 140 Ca -0.03 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.72 1rwt h GLY 140 CO 0.13 0.54 0.43 -0.97 0.00 0.00 0.00 176.54 176.67 1rwt h TYR 141 N 0.73 0.83 -0.15 5.60 0.99 -0.44 -0.25 116.97 124.27 1rwt h TYR 141 Ca 0.16 0.01 0.04 0.00 2.00 0.00 0.00 58.73 60.95 1rwt h TYR 141 Cb 0.37 -0.28 -0.01 0.00 1.00 0.00 0.00 36.73 37.81 1rwt h TYR 141 CO 0.03 0.53 0.16 -0.09 -0.00 0.00 0.00 178.16 178.79 1rwt h ARG 142 N 0.89 0.00 0.03 4.88 2.43 -0.90 0.76 114.38 122.46 1rwt h ARG 142 Ca 0.24 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 59.05 1rwt h ARG 142 Cb -0.09 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.41 1rwt h ARG 142 CO -0.05 0.00 -2.23 -0.89 -1.51 0.00 0.00 179.97 175.29 1rwt n ILE 143 N -3.83 1.54 0.30 1.20 2.08 -0.60 -4.65 119.36 115.40 1rwt n ILE 143 Ca 0.01 -0.71 0.03 0.00 0.56 0.00 0.00 62.75 62.65 1rwt n ILE 143 Cb 0.28 -1.16 -0.04 0.00 -0.75 0.00 0.00 39.64 37.97 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 -2.95 2.87 0.00 -1.39 0.00 -0.21 -4.96 120.51 113.87 1rwt n ALA 144 Ca -0.35 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1rwt n ALA 144 Cb 1.06 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.25 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 1.27 1.53 0.00 0.00 0.00 0.26 -4.57 105.19 103.69 1rwt n GLY 145 Ca 0.01 -1.97 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 1.94 0.99 0.36 -0.02 0.00 0.83 -4.43 105.19 104.85 1rwt n GLY 146 Ca 0.00 -0.33 0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 0.41 -0.55 1.61 0.11 -2.01 -1.23 132.00 130.34 1rwt h PRO 147 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1rwt h PRO 147 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 1rwt h PRO 147 CO 0.00 0.27 0.00 1.28 -0.21 0.00 0.00 178.00 179.34 1rwt n LEU 148 N -4.90 2.91 0.00 2.35 4.77 -1.26 -5.03 117.00 115.84 1rwt n LEU 148 Ca 0.29 -1.45 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 1rwt n LEU 148 Cb 0.91 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1rwt n LEU 148 CO 0.15 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 1rwt n GLY 149 N 1.36 2.18 3.86 -0.72 0.00 -0.47 -4.25 105.19 107.15 1rwt n GLY 149 Ca 0.18 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.63 3.19 -0.51 1.61 2.56 -1.26 -0.12 118.70 122.54 1rwt s GLU 150 Ca 0.00 -0.58 -0.28 0.00 0.00 0.00 0.00 54.97 54.11 1rwt s GLU 150 Cb 0.00 -2.89 0.01 0.00 2.00 0.00 0.00 34.13 33.25 1rwt s GLU 150 CO 0.00 0.58 1.46 0.08 -0.56 0.00 0.00 175.26 176.81 1rwt s VAL 151 N -1.50 3.78 0.00 3.70 1.01 -1.26 -4.85 120.40 121.28 1rwt s VAL 151 Ca 0.32 0.71 0.00 0.00 0.00 0.00 0.00 61.98 63.01 1rwt s VAL 151 Cb -0.12 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.95 1rwt s VAL 151 CO 0.25 -1.00 0.00 0.52 0.00 0.00 0.00 175.10 174.87 1rwt n VAL 152 N 6.97 0.00 -3.28 2.92 0.31 -1.26 -4.89 118.33 119.10 1rwt n VAL 152 Ca 0.15 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.06 1rwt n VAL 152 Cb 0.49 -0.80 -0.08 0.00 -0.91 0.00 0.00 33.84 32.54 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 -0.96 6.28 0.30 4.52 -1.08 -1.26 -4.97 116.67 119.50 1rwt s ASP 153 Ca 0.00 -0.11 0.04 0.00 -0.52 0.00 0.00 52.55 51.96 1rwt s ASP 153 Cb 0.00 -2.25 0.79 0.00 -1.46 0.00 0.00 42.92 40.00 1rwt s ASP 153 CO 0.00 -0.46 1.63 -0.65 0.52 0.00 0.00 175.17 176.21 1rwt h PRO 154 N 8.48 0.16 0.00 4.34 0.11 -1.94 -2.66 132.00 140.49 1rwt h PRO 154 Ca -0.28 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.60 1rwt h PRO 154 Cb 1.13 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 1rwt h PRO 154 CO 0.76 0.10 -1.64 1.28 -0.21 0.00 0.00 178.00 178.30 1rwt n LEU 155 N -5.27 0.73 -3.45 2.35 4.77 -1.26 -4.65 117.00 110.22 1rwt n LEU 155 Ca 0.24 0.33 -0.27 0.00 -0.03 0.00 0.00 56.01 56.28 1rwt n LEU 155 Cb 0.76 0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.91 1rwt n LEU 155 CO 0.04 0.25 0.03 -1.22 -1.33 0.00 0.00 177.39 175.15 1rwt n TYR 156 N -2.89 3.21 -0.06 -1.77 4.01 -1.01 -4.96 117.16 113.69 1rwt n TYR 156 Ca -0.14 -4.11 -0.09 0.00 -0.16 0.00 0.00 57.90 53.40 1rwt n TYR 156 Cb 0.93 -0.54 -0.03 0.00 -0.31 0.00 0.00 39.34 39.39 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 4.31 -0.30 0.00 -0.72 0.11 -1.82 -3.41 132.00 130.17 1rwt h PRO 157 Ca 0.18 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1rwt h PRO 157 Cb 0.69 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1rwt h PRO 157 CO 0.79 -0.20 0.00 0.41 -0.21 0.00 0.00 178.00 178.79 1rwt n GLY 158 N -1.41 0.13 7.00 -0.55 0.00 -1.26 -4.85 105.19 104.25 1rwt n GLY 158 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 2.95 0.30 -0.02 0.00 -1.26 0.45 105.19 107.61 1rwt n GLY 159 Ca 0.00 0.29 0.20 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 -0.63 1.61 0.02 -1.91 -2.18 113.55 110.45 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 -2.93 0.87 -2.85 3.45 3.01 0.17 -4.29 117.46 114.90 1rwt n PHE 161 Ca -0.02 -0.43 -0.12 0.00 1.01 0.00 0.00 57.45 57.89 1rwt n PHE 161 Cb 0.10 -0.01 0.03 0.00 -0.01 0.00 0.00 39.48 39.59 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 1.34 0.31 -0.22 4.37 2.03 -0.82 -4.69 116.55 118.87 1rwt n ASP 162 Ca 0.21 -2.89 0.00 0.00 0.52 0.00 0.00 54.79 52.63 1rwt n ASP 162 Cb 0.55 -0.05 0.08 0.00 -0.72 0.00 0.00 41.12 40.98 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 2.86 0.01 0.00 -0.67 0.11 -1.75 0.17 132.00 132.73 1rwt h PRO 163 Ca -0.06 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1rwt h PRO 163 Cb 1.12 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1rwt h PRO 163 CO 0.38 0.01 0.00 1.28 -0.21 0.00 0.00 178.00 179.45 1rwt n LEU 164 N -5.43 0.00 -2.77 2.35 4.77 -1.26 -4.89 117.00 109.77 1rwt n LEU 164 Ca 0.09 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.91 1rwt n LEU 164 Cb 0.35 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1rwt n LEU 164 CO 0.04 0.00 -0.10 0.61 -1.33 0.00 0.00 177.39 176.61 1rwt n GLY 165 N 0.71 -0.50 0.32 -0.72 0.00 0.60 -4.80 105.19 100.79 1rwt n GLY 165 Ca 0.12 0.03 0.17 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.37 0.00 -2.47 0.99 3.38 -1.90 -0.80 115.31 114.14 1rwt h LEU 166 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1rwt h LEU 166 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1rwt h LEU 166 CO 0.39 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.92 1rwt n ALA 167 N -2.26 2.42 0.16 1.53 0.00 -1.26 -4.56 120.51 116.53 1rwt n ALA 167 Ca -0.02 -1.18 -0.14 0.00 0.00 0.00 0.00 53.44 52.11 1rwt n ALA 167 Cb 0.15 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 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 3.89 -0.78 -2.70 0.00 3.32 -1.51 -3.41 116.42 115.23 1rwt h ASP 168 Ca 0.00 0.08 -0.55 0.00 0.02 0.00 0.00 57.03 56.57 1rwt h ASP 168 Cb 0.91 0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 1rwt h ASP 168 CO 0.01 -0.39 1.03 -0.62 -1.72 0.00 0.00 179.24 177.55 1rwt s ASP 169 N -4.74 6.74 0.25 6.45 2.15 -1.26 -4.92 116.67 121.33 1rwt s ASP 169 Ca -0.16 2.06 -0.06 0.00 0.43 0.00 0.00 52.55 54.82 1rwt s ASP 169 Cb 0.07 -2.53 0.46 0.00 -0.30 0.00 0.00 42.92 40.62 1rwt s ASP 169 CO 0.64 -0.89 1.64 -0.65 -0.17 0.00 0.00 175.17 175.75 1rwt h PRO 170 N 9.17 0.13 -0.37 4.34 0.11 -1.98 0.17 132.00 143.57 1rwt h PRO 170 Ca -0.35 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.59 1rwt h PRO 170 Cb 1.15 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1rwt h PRO 170 CO 0.96 0.08 -0.41 1.49 -0.21 0.00 0.00 178.00 179.91 1rwt h GLU 171 N 0.13 0.93 -0.40 1.05 4.81 -1.95 -2.40 114.58 116.75 1rwt h GLU 171 Ca 0.42 -0.50 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 1rwt h GLU 171 Cb 0.75 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 1rwt h GLU 171 CO -0.64 1.16 -0.08 0.00 -0.73 0.00 0.00 179.01 178.71 1rwt h ALA 172 N 0.77 1.12 -0.35 2.92 0.00 -1.76 -2.97 119.26 118.99 1rwt h ALA 172 Ca 0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1rwt h ALA 172 Cb 1.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1rwt h ALA 172 CO 0.10 0.55 0.21 0.35 0.00 0.00 0.00 179.25 180.46 1rwt h PHE 173 N 0.63 0.47 -0.28 0.00 3.57 -0.80 -0.89 116.94 119.63 1rwt h PHE 173 Ca 0.11 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1rwt h PHE 173 Cb 0.51 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1rwt h PHE 173 CO 0.02 0.36 0.07 0.00 -2.23 0.00 0.00 178.31 176.53 1rwt h ALA 174 N 1.08 1.61 0.05 2.41 0.00 -1.28 -0.96 119.26 122.17 1rwt h ALA 174 Ca 0.13 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1rwt h ALA 174 Cb 0.03 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1rwt h ALA 174 CO -0.02 0.30 -0.61 1.49 0.00 0.00 0.00 179.25 180.40 1rwt h GLU 175 N 0.40 0.33 -0.38 0.00 4.81 -1.35 -3.15 114.58 115.23 1rwt h GLU 175 Ca 0.10 -0.42 0.03 0.00 -0.13 0.00 0.00 59.36 58.94 1rwt h GLU 175 Cb 0.15 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1rwt h GLU 175 CO -0.00 1.13 0.26 -0.07 -0.73 0.00 0.00 179.01 179.59 1rwt h LEU 176 N -0.28 0.35 -0.61 1.64 3.38 -0.89 -1.12 115.31 117.79 1rwt h LEU 176 Ca -0.09 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1rwt h LEU 176 Cb 1.38 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 1rwt h LEU 176 CO 0.12 0.24 0.25 0.11 0.09 0.00 0.00 178.44 179.25 1rwt h LYS 177 N 0.41 0.91 -0.28 1.13 1.57 -1.20 -0.45 116.57 118.65 1rwt h LYS 177 Ca 0.16 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1rwt h LYS 177 Cb 0.12 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1rwt h LYS 177 CO -0.04 0.77 0.10 0.28 -0.57 0.00 0.00 179.45 179.99 1rwt h VAL 178 N 0.84 1.18 -0.87 0.50 2.07 -1.21 -2.51 116.25 116.26 1rwt h VAL 178 Ca 0.20 -0.57 0.05 0.00 0.82 0.00 0.00 66.70 67.20 1rwt h VAL 178 Cb 0.19 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 1rwt h VAL 178 CO -0.02 0.19 0.57 0.11 0.02 0.00 0.00 177.57 178.44 1rwt h LYS 179 N 0.29 1.00 0.18 1.57 1.57 -0.99 -1.43 116.57 118.77 1rwt h LYS 179 Ca 0.09 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1rwt h LYS 179 Cb 0.20 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1rwt h LYS 179 CO -0.01 0.66 -0.09 1.49 -0.57 0.00 0.00 179.45 180.94 1rwt h GLU 180 N 1.03 -0.23 -0.20 3.15 4.81 -0.80 -1.30 114.58 121.04 1rwt h GLU 180 Ca 0.36 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.55 1rwt h GLU 180 Cb 0.10 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1rwt h GLU 180 CO -0.12 -0.04 -0.13 0.82 -0.73 0.00 0.00 179.01 178.82 1rwt h ILE 181 N -0.39 1.20 -0.08 2.32 2.04 -1.18 0.44 117.51 121.86 1rwt h ILE 181 Ca -0.02 -0.86 -0.20 0.00 1.00 0.00 0.00 64.86 64.78 1rwt h ILE 181 Cb 0.30 1.19 0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1rwt h ILE 181 CO 0.04 0.27 -0.72 0.11 0.00 0.00 0.00 178.15 177.85 1rwt h LYS 182 N 0.30 0.62 -0.47 2.37 1.57 -1.20 0.33 116.57 120.11 1rwt h LYS 182 Ca 0.06 -0.57 -0.09 0.00 -1.87 0.00 0.00 60.65 58.19 1rwt h LYS 182 Cb 0.41 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1rwt h LYS 182 CO 0.02 1.18 -0.06 -0.91 -0.57 0.00 0.00 179.45 179.12 1rwt h ASN 183 N 0.26 0.79 -0.03 0.86 2.35 -0.99 -1.14 115.58 117.68 1rwt h ASN 183 Ca -0.07 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.46 1rwt h ASN 183 Cb 1.37 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 39.53 1rwt h ASN 183 CO 0.15 0.89 0.01 1.23 -1.65 0.00 0.00 177.43 178.05 1rwt h GLY 184 N 0.98 0.05 1.49 2.83 0.00 0.05 -1.01 103.07 107.46 1rwt h GLY 184 Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 1rwt h GLY 184 CO 0.03 0.03 0.15 3.21 0.00 0.00 0.00 176.54 179.95 1rwt h ARG 185 N -0.17 0.65 -0.59 4.80 3.08 -0.21 0.53 114.38 122.48 1rwt h ARG 185 Ca 0.01 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 1rwt h ARG 185 Cb 0.23 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1rwt h ARG 185 CO -0.00 0.57 0.02 1.25 -1.07 0.00 0.00 179.97 180.74 1rwt h LEU 186 N 0.64 1.01 -0.53 3.04 5.85 -1.04 -0.88 115.31 123.40 1rwt h LEU 186 Ca 0.15 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.51 1rwt h LEU 186 Cb 0.19 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1rwt h LEU 186 CO -0.01 1.06 0.07 0.00 -0.34 0.00 0.00 178.44 179.22 1rwt h ALA 187 N 0.98 0.70 -0.43 1.25 0.00 -0.42 -1.04 119.26 120.30 1rwt h ALA 187 Ca 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1rwt h ALA 187 Cb 0.53 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1rwt h ALA 187 CO 0.03 0.45 0.18 0.52 0.00 0.00 0.00 179.25 180.42 1rwt h MET 188 N 0.76 0.65 -0.51 0.00 2.86 -0.73 0.80 114.93 118.76 1rwt h MET 188 Ca 0.16 -0.12 0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1rwt h MET 188 Cb 0.42 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 1rwt h MET 188 CO 0.01 0.60 0.27 0.35 1.06 0.00 0.00 176.91 179.20 1rwt h PHE 189 N 0.56 0.50 -0.22 -0.22 3.57 -0.98 -1.44 116.94 118.71 1rwt h PHE 189 Ca 0.15 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.53 1rwt h PHE 189 Cb 0.19 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1rwt h PHE 189 CO 0.00 0.25 -0.42 0.77 -2.23 0.00 0.00 178.31 176.68 1rwt h SER 190 N 0.53 0.55 0.11 0.41 0.02 -0.89 -2.53 113.55 111.75 1rwt h SER 190 Ca 0.22 -0.25 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1rwt h SER 190 Cb 0.11 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1rwt h SER 190 CO -0.14 0.91 -0.22 0.24 -1.14 0.00 0.00 176.83 176.48 1rwt h MET 191 N 0.43 0.20 -0.28 3.45 2.86 -0.34 0.40 114.93 121.65 1rwt h MET 191 Ca 0.03 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 1rwt h MET 191 Cb 0.92 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 1rwt h MET 191 CO 0.08 0.41 -0.27 0.35 1.06 0.00 0.00 176.91 178.54 1rwt h PHE 192 N 0.18 0.63 -0.39 -0.22 3.57 -0.93 -2.03 116.94 117.75 1rwt h PHE 192 Ca 0.03 -0.15 -0.09 0.00 3.53 0.00 0.00 57.97 61.30 1rwt h PHE 192 Cb 0.49 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1rwt h PHE 192 CO 0.01 0.78 -0.09 0.78 -2.23 0.00 0.00 178.31 177.56 1rwt h GLY 193 N 1.02 0.81 0.86 2.40 0.00 -0.79 -1.95 103.07 105.42 1rwt h GLY 193 Ca 0.07 -0.67 0.03 0.00 0.00 0.00 0.00 47.33 46.76 1rwt h GLY 193 CO 0.06 0.61 0.48 0.74 0.00 0.00 0.00 176.54 178.43 1rwt h PHE 194 N 0.56 0.90 0.39 5.60 0.05 -0.70 0.16 116.94 123.90 1rwt h PHE 194 Ca 0.10 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.90 1rwt h PHE 194 Cb 0.61 -0.30 0.00 0.00 2.00 0.00 0.00 35.95 38.26 1rwt h PHE 194 CO 0.05 0.51 -0.19 0.74 -0.18 0.00 0.00 178.31 179.24 1rwt h PHE 195 N 0.93 -0.49 -0.40 -0.55 0.04 -1.18 -1.21 116.94 114.09 1rwt h PHE 195 Ca 0.31 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.05 1rwt h PHE 195 Cb 0.03 0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 1rwt h PHE 195 CO -0.04 -0.26 0.16 0.28 -0.60 0.00 0.00 178.31 177.85 1rwt h VAL 196 N -0.59 1.19 -0.51 -0.55 2.07 -1.15 -2.15 116.25 114.57 1rwt h VAL 196 Ca -0.05 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 1rwt h VAL 196 Cb 0.44 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1rwt h VAL 196 CO 0.09 0.21 0.17 1.56 0.02 0.00 0.00 177.57 179.62 1rwt h GLN 197 N 0.50 0.74 -0.16 1.57 4.20 -0.69 0.12 115.11 121.39 1rwt h GLN 197 Ca 0.13 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1rwt h GLN 197 Cb 0.18 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1rwt h GLN 197 CO -0.01 0.64 0.05 0.00 -0.67 0.00 0.00 178.83 178.84 1rwt h ALA 198 N 1.46 0.21 -0.33 3.87 0.00 -1.00 0.36 119.26 123.83 1rwt h ALA 198 Ca 0.17 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1rwt h ALA 198 Cb 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1rwt h ALA 198 CO -0.01 -0.19 -0.15 0.82 0.00 0.00 0.00 179.25 179.72 1rwt h ILE 199 N 0.09 1.25 0.06 0.00 2.04 -0.90 -1.75 117.51 118.29 1rwt h ILE 199 Ca 0.05 -1.13 -0.17 0.00 1.00 0.00 0.00 64.86 64.61 1rwt h ILE 199 Cb 0.21 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1rwt h ILE 199 CO -0.00 0.37 -0.87 0.58 0.00 0.00 0.00 178.15 178.23 1rwt h VAL 200 N 0.53 1.30 0.00 1.67 2.07 -0.57 -3.40 116.25 117.86 1rwt h VAL 200 Ca 0.09 -2.35 -0.02 0.00 0.82 0.00 0.00 66.70 65.24 1rwt h VAL 200 Cb 0.57 2.87 -0.00 0.00 -1.52 0.00 0.00 31.29 33.21 1rwt h VAL 200 CO 0.04 0.58 -1.09 0.35 0.02 0.00 0.00 177.57 177.48 1rwt n THR 201 N -4.28 0.65 -1.38 2.57 -2.24 0.13 -4.97 114.28 104.76 1rwt n THR 201 Ca -0.21 -0.56 -0.13 0.00 -2.27 0.00 0.00 64.05 60.88 1rwt n THR 201 Cb 0.71 -0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.52 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 1.20 1.38 3.40 3.38 0.00 -0.66 -4.98 105.19 108.92 1rwt n GLY 202 Ca -0.01 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.06 1.68 0.59 1.61 1.02 -1.26 -5.09 119.74 115.22 1rwt s LYS 203 Ca 0.00 -1.97 -0.16 0.00 0.02 0.00 0.00 55.97 53.86 1rwt s LYS 203 Cb 0.00 -0.39 -0.04 0.00 -0.52 0.00 0.00 37.83 36.88 1rwt s LYS 203 CO 0.00 -0.40 1.06 0.20 -0.92 0.00 0.00 175.35 175.30 1rwt s GLY 204 N -3.45 2.19 0.16 -3.33 0.00 -1.26 -4.56 107.32 97.06 1rwt s GLY 204 Ca 0.33 0.45 -0.17 0.00 0.00 0.00 0.00 44.72 45.33 1rwt s GLY 204 CO 0.16 0.77 1.71 -2.55 0.00 0.00 0.00 173.10 173.19 1rwt h PRO 205 N 0.55 0.11 0.00 2.90 0.11 -1.94 0.22 132.00 133.94 1rwt h PRO 205 Ca -0.47 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 1rwt h PRO 205 Cb 1.22 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1rwt h PRO 205 CO 0.57 0.07 -0.31 -0.07 -0.21 0.00 0.00 178.00 178.05 1rwt h LEU 206 N 0.11 0.00 -0.45 2.35 3.38 -1.96 -1.85 115.31 116.89 1rwt h LEU 206 Ca 0.17 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.97 1rwt h LEU 206 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1rwt h LEU 206 CO -0.28 0.31 -0.75 -0.08 0.09 0.00 0.00 178.44 177.73 1rwt h GLU 207 N 0.00 0.21 -0.56 1.13 4.81 -1.71 -2.23 114.58 116.22 1rwt h GLU 207 Ca -0.00 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1rwt h GLU 207 Cb 0.69 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 1rwt h GLU 207 CO 0.04 0.87 0.37 -0.91 -0.73 0.00 0.00 179.01 178.64 1rwt h ASN 208 N 0.14 0.63 -0.31 1.04 -0.26 -0.19 0.21 115.58 116.83 1rwt h ASN 208 Ca -0.03 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.69 1rwt h ASN 208 Cb 1.32 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 38.42 1rwt h ASN 208 CO 0.12 0.45 0.15 0.25 -1.06 0.00 0.00 177.43 177.34 1rwt h LEU 209 N 0.75 0.41 -0.12 1.61 5.85 -1.26 -0.59 115.31 121.96 1rwt h LEU 209 Ca 0.21 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1rwt h LEU 209 Cb -0.07 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1rwt h LEU 209 CO -0.05 0.41 0.02 0.00 -0.34 0.00 0.00 178.44 178.49 1rwt h ALA 210 N 1.01 0.12 -0.74 1.25 0.00 -0.96 0.46 119.26 120.41 1rwt h ALA 210 Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1rwt h ALA 210 Cb 0.11 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1rwt h ALA 210 CO -0.01 -0.43 0.41 -0.44 0.00 0.00 0.00 179.25 178.78 1rwt h ASP 211 N 0.08 0.91 0.27 0.00 3.32 -0.80 -0.40 116.42 119.80 1rwt h ASP 211 Ca 0.05 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1rwt h ASP 211 Cb 0.05 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1rwt h ASP 211 CO -0.07 0.74 -0.17 -0.74 -1.72 0.00 0.00 179.24 177.27 1rwt h HIS 212 N 1.01 -0.45 -0.25 4.55 2.76 -0.68 -2.13 115.15 119.95 1rwt h HIS 212 Ca 0.26 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.50 1rwt h HIS 212 Cb 0.02 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 1rwt h HIS 212 CO -0.00 -0.27 0.18 -0.07 -1.30 0.00 0.00 177.93 176.47 1rwt h LEU 213 N -0.43 0.01 -1.62 0.26 3.38 -0.58 0.59 115.31 116.91 1rwt h LEU 213 Ca -0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1rwt h LEU 213 Cb 0.36 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1rwt h LEU 213 CO 0.02 0.01 -0.21 0.00 0.09 0.00 0.00 178.44 178.35 1rwt h ALA 214 N 1.87 1.43 -0.49 1.53 0.00 -0.39 -3.39 119.26 119.83 1rwt h ALA 214 Ca 0.12 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1rwt h ALA 214 Cb 0.46 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.04 1rwt h ALA 214 CO -0.00 0.26 -0.24 0.34 0.00 0.00 0.00 179.25 179.61 1rwt s ASP 215 N -6.64 -0.74 0.12 0.00 -1.08 -0.29 -5.07 116.67 102.98 1rwt s ASP 215 Ca -0.03 -0.49 -0.23 0.00 -0.52 0.00 0.00 52.55 51.27 1rwt s ASP 215 Cb 0.14 0.95 -0.05 0.00 -1.46 0.00 0.00 42.92 42.51 1rwt s ASP 215 CO 0.66 -0.07 1.67 -0.65 0.52 0.00 0.00 175.17 177.30 1rwt h PRO 216 N 5.61 -0.22 0.00 4.34 0.11 -1.17 0.60 132.00 141.27 1rwt h PRO 216 Ca -0.00 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 1rwt h PRO 216 Cb 1.20 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1rwt h PRO 216 CO -0.03 -0.15 -0.12 0.28 -0.21 0.00 0.00 178.00 177.78 1rwt h VAL 217 N -0.23 0.90 0.00 3.15 2.07 -1.98 -3.16 116.25 116.99 1rwt h VAL 217 Ca 0.07 -0.42 -0.33 0.00 0.82 0.00 0.00 66.70 66.84 1rwt h VAL 217 Cb 0.32 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 1rwt h VAL 217 CO -0.19 0.11 -2.30 0.59 0.02 0.00 0.00 177.57 175.80 1rwt n ASN 218 N -4.14 0.21 -4.17 0.57 3.02 -1.07 -4.73 115.26 104.95 1rwt n ASN 218 Ca -0.02 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.12 1rwt n ASN 218 Cb 0.20 1.05 -0.03 0.00 -0.61 0.00 0.00 39.78 40.38 1rwt n ASN 218 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1rwt n ASN 219 N -2.68 5.03 -3.38 6.41 3.02 0.21 -4.64 115.26 119.22 1rwt n ASN 219 Ca -0.30 -3.14 -0.15 0.00 -0.03 0.00 0.00 54.58 50.96 1rwt n ASN 219 Cb 1.09 -1.20 -0.06 0.00 -0.61 0.00 0.00 39.78 39.00 1rwt n ASN 219 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1rwt s ASN 220 N 0.18 1.00 0.44 6.41 2.20 -1.26 -4.11 114.94 119.81 1rwt s ASN 220 Ca 0.30 -1.52 0.27 0.00 -0.94 0.00 0.00 52.86 50.97 1rwt s ASN 220 Cb -0.06 0.61 1.31 0.00 -2.00 0.00 0.00 41.25 41.11 1rwt s ASN 220 CO -0.07 -1.20 1.73 0.00 -2.94 0.00 0.00 177.10 174.62 1rwt h ALA 221 N 2.16 2.61 0.00 3.54 0.00 -1.95 0.27 119.26 125.90 1rwt h ALA 221 Ca -0.28 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1rwt h ALA 221 Cb 1.24 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1rwt h ALA 221 CO 0.39 -1.07 0.00 -1.49 0.00 0.00 0.00 179.25 177.08 1rwt h TRP 222 N 0.21 0.00 0.00 0.00 4.06 -1.96 -1.01 115.95 117.25 1rwt h TRP 222 Ca 0.66 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.61 1rwt h TRP 222 Cb 2.04 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.20 1rwt h TRP 222 CO -0.00 0.00 0.00 -0.97 -3.56 0.00 0.00 178.44 173.91 1rwt h ASN 223 N 0.00 0.00 -0.13 -3.49 -0.00 -1.20 -2.85 115.58 107.91 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 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.34 1rwt h ASN 223 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 177.43 177.92 1rwt n PHE 224 N -2.73 0.17 0.25 0.67 3.01 -0.38 -4.73 117.46 113.71 1rwt n PHE 224 Ca 0.00 -0.41 0.18 0.00 1.01 0.00 0.00 57.45 58.23 1rwt n PHE 224 Cb 0.22 -0.03 0.87 0.00 -0.01 0.00 0.00 39.48 40.53 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 0.91 1.60 -0.34 4.37 0.00 -1.53 -1.25 119.26 123.02 1rwt h ALA 225 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rwt h ALA 225 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1rwt h ALA 225 CO 0.00 -0.32 0.00 0.25 0.00 0.00 0.00 179.25 179.18 1rwt n THR 226 N -3.41 1.63 0.65 0.00 -2.24 -1.26 -4.62 114.28 105.03 1rwt n THR 226 Ca 0.01 -1.39 0.13 0.00 -2.27 0.00 0.00 64.05 60.53 1rwt n THR 226 Cb 0.35 0.14 0.44 0.00 -2.10 0.00 0.00 70.33 69.16 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 0.15 0.70 -1.90 3.42 4.13 -0.47 -3.86 115.26 117.43 1rwt n ASN 227 Ca 0.17 0.57 -0.13 0.00 1.68 0.00 0.00 54.58 56.87 1rwt n ASN 227 Cb 0.67 -0.76 0.06 0.00 -1.54 0.00 0.00 39.78 38.21 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 -2.16 1.90 -2.55 3.10 3.01 -1.26 -5.05 117.46 114.45 1rwt n PHE 228 Ca 0.05 -2.00 -0.42 0.00 1.01 0.00 0.00 57.45 56.09 1rwt n PHE 228 Cb 0.40 -0.30 -0.03 0.00 -0.01 0.00 0.00 39.48 39.54 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 -4.02 4.41 0.39 -4.37 1.01 -1.25 -4.99 120.40 111.58 1rwt s VAL 229 Ca 0.44 1.73 -0.27 0.00 0.00 0.00 0.00 61.98 63.88 1rwt s VAL 229 Cb 0.39 -4.11 -0.11 0.00 0.00 0.00 0.00 36.38 32.55 1rwt s VAL 229 CO -0.00 0.10 1.34 -2.65 0.00 0.00 0.00 175.10 173.88 1rwt n PRO 230 N 4.27 2.18 -0.61 2.72 -0.02 -1.26 -5.19 135.00 137.08 1rwt n PRO 230 Ca 0.08 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1rwt n PRO 230 Cb 0.48 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1rwt n PRO 230 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89