#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 0.76 -0.01 4.33 -0.04 -1.26 -3.36 135.00 135.42 1rwt n PRO 15 Ca 0.00 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.58 1rwt n PRO 15 Cb 0.00 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.80 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 -1.08 0.00 -4.46 0.54 5.03 -1.26 -0.89 117.44 115.32 1rwt n TRP 16 Ca 0.19 0.00 -0.23 0.00 3.03 0.00 0.00 57.50 60.49 1rwt n TRP 16 Cb 0.13 -0.41 -0.09 0.00 -1.03 0.00 0.00 31.31 29.91 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 -3.42 1.79 0.15 -5.99 2.02 -1.22 -4.67 117.35 106.01 1rwt s TYR 17 Ca -0.05 -1.22 0.00 0.00 -0.37 0.00 0.00 57.07 55.43 1rwt s TYR 17 Cb 0.14 -1.13 0.00 0.00 -0.40 0.00 0.00 41.96 40.57 1rwt s TYR 17 CO 0.90 -0.26 0.00 0.41 -1.57 0.00 0.00 175.55 175.03 1rwt n GLY 18 N -0.79 -1.69 0.23 0.71 0.00 -0.55 -3.68 105.19 99.42 1rwt n GLY 18 Ca -0.04 -1.37 0.16 0.00 0.00 0.00 0.00 46.02 44.77 1rwt n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rwt h PRO 19 N -0.56 0.00 -0.35 1.61 0.13 -1.90 -3.00 132.00 127.94 1rwt h PRO 19 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1rwt h PRO 19 Cb 0.55 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 1rwt h PRO 19 CO 0.01 0.00 0.01 -0.25 -0.23 0.00 0.00 178.00 177.54 1rwt n ASP 20 N -2.66 4.13 -4.79 1.44 8.00 -1.26 -5.02 116.55 116.39 1rwt n ASP 20 Ca -0.01 -3.08 -0.32 0.00 0.71 0.00 0.00 54.79 52.10 1rwt n ASP 20 Cb 0.14 -0.59 0.05 0.00 -0.02 0.00 0.00 41.12 40.71 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 -2.87 2.80 0.47 -1.24 1.70 -1.13 -4.86 118.95 113.81 1rwt s ARG 21 Ca 0.45 1.12 -0.24 0.00 -0.47 0.00 0.00 55.73 56.60 1rwt s ARG 21 Cb 0.37 -1.97 -0.07 0.00 -0.57 0.00 0.00 34.95 32.71 1rwt s ARG 21 CO 0.10 -1.22 1.32 0.14 -1.08 0.00 0.00 175.30 174.55 1rwt s VAL 22 N -2.79 2.44 0.22 4.99 -7.23 -0.07 -5.00 120.40 112.95 1rwt s VAL 22 Ca 0.61 0.36 0.11 0.00 -1.81 0.00 0.00 61.98 61.25 1rwt s VAL 22 Cb -0.16 -3.20 -0.04 0.00 0.56 0.00 0.00 36.38 33.54 1rwt s VAL 22 CO 0.50 0.03 -0.17 -0.54 -0.31 0.00 0.00 175.10 174.60 1rwt s LYS 23 N -2.56 1.76 0.36 4.82 -0.14 -1.26 -4.45 119.74 118.27 1rwt s LYS 23 Ca 0.63 -1.51 0.25 0.00 -1.36 0.00 0.00 55.97 53.99 1rwt s LYS 23 Cb -0.38 -1.94 1.30 0.00 -1.68 0.00 0.00 37.83 35.13 1rwt s LYS 23 CO 0.47 0.39 1.77 0.10 -0.76 0.00 0.00 175.35 177.33 1rwt h TYR 24 N 2.79 0.00 -0.15 3.18 -0.00 -1.45 -1.32 116.97 120.01 1rwt h TYR 24 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.28 1rwt h TYR 24 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.95 1rwt h TYR 24 CO 0.71 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 180.15 1rwt n LEU 25 N -2.39 2.90 0.00 0.10 4.77 -1.26 -5.02 117.00 116.10 1rwt n LEU 25 Ca -0.01 -2.65 0.00 0.00 -0.03 0.00 0.00 56.01 53.33 1rwt n LEU 25 Cb 0.09 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1rwt n LEU 25 CO 0.14 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1rwt n GLY 26 N -0.57 3.75 0.12 -0.72 0.00 -0.50 -1.64 105.19 105.62 1rwt n GLY 26 Ca 0.14 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1rwt n GLY 26 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rwt n PRO 27 N 14.00 0.16 -0.02 1.61 -0.04 -1.26 -2.51 135.00 146.95 1rwt n PRO 27 Ca 0.00 0.43 0.11 0.00 -0.04 0.00 0.00 63.50 64.00 1rwt n PRO 27 Cb 0.00 -1.84 0.11 0.00 -0.04 0.00 0.00 33.50 31.73 1rwt n PRO 27 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1rwt n PHE 28 N -2.15 0.06 0.24 0.54 3.01 -0.65 -4.57 117.46 113.93 1rwt n PHE 28 Ca 0.02 -0.03 0.16 0.00 1.01 0.00 0.00 57.45 58.60 1rwt n PHE 28 Cb 0.20 -0.00 0.68 0.00 -0.01 0.00 0.00 39.48 40.35 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 4.41 0.00 0.00 4.37 0.02 -1.50 -3.47 113.55 117.38 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 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 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 -1.35 0.88 3.75 -3.77 0.00 -1.26 -4.57 105.19 98.85 1rwt n GLY 30 Ca 0.02 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 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 4.47 0.17 1.61 2.12 -1.26 -5.03 118.70 120.78 1rwt s GLU 31 Ca 0.00 1.96 -0.03 0.00 0.36 0.00 0.00 54.97 57.26 1rwt s GLU 31 Cb 0.00 -3.20 -0.05 0.00 0.26 0.00 0.00 34.13 31.15 1rwt s GLU 31 CO 0.00 -0.09 0.38 0.45 -0.54 0.00 0.00 175.26 175.46 1rwt s SER 32 N -0.08 6.43 0.08 -1.70 0.15 -1.26 -5.03 113.70 112.29 1rwt s SER 32 Ca 0.52 0.49 -0.36 0.00 0.70 0.00 0.00 55.95 57.30 1rwt s SER 32 Cb -0.34 -2.05 -0.15 0.00 -1.71 0.00 0.00 66.02 61.76 1rwt s SER 32 CO 0.40 -0.00 1.47 -2.65 1.20 0.00 0.00 173.24 173.66 1rwt n PRO 33 N -0.32 1.54 0.14 5.44 -0.02 -1.26 -4.81 135.00 135.71 1rwt n PRO 33 Ca -0.04 0.56 0.15 0.00 -2.02 0.00 0.00 63.50 62.15 1rwt n PRO 33 Cb 0.53 -2.25 0.71 0.00 -0.02 0.00 0.00 33.50 32.46 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 5.42 0.00 0.41 2.55 4.64 -2.01 -0.39 113.55 124.17 1rwt h SER 34 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1rwt h SER 34 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1rwt h SER 34 CO 0.84 0.00 -0.05 0.00 -0.87 0.00 0.00 176.83 176.74 1rwt n TYR 35 N -4.31 0.00 -3.55 4.77 0.18 -1.26 -4.38 117.16 108.61 1rwt n TYR 35 Ca 0.03 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.40 1rwt n TYR 35 Cb 0.35 -0.20 -0.07 0.00 -0.38 0.00 0.00 39.34 39.03 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 -2.46 5.82 0.00 -3.48 1.43 -0.16 -4.91 118.68 114.91 1rwt s LEU 36 Ca 0.31 -2.40 0.21 0.00 -1.03 0.00 0.00 54.13 51.22 1rwt s LEU 36 Cb 0.20 -2.01 0.15 0.00 0.03 0.00 0.00 46.19 44.56 1rwt s LEU 36 CO 0.46 -0.56 1.15 0.35 0.23 0.00 0.00 176.35 177.97 1rwt n THR 37 N 4.24 0.00 -1.19 5.49 -2.24 -1.26 -4.68 114.28 114.64 1rwt n THR 37 Ca 0.02 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1rwt n THR 37 Cb 0.41 1.42 0.00 0.00 -2.10 0.00 0.00 70.33 70.06 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 1.20 1.04 0.11 3.38 0.00 -1.26 -4.19 105.19 105.47 1rwt n GLY 38 Ca 0.12 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.95 0.70 -4.07 1.61 2.13 -1.26 -1.48 120.64 117.32 1rwt n GLU 39 Ca 0.00 0.23 -0.29 0.00 0.66 0.00 0.00 57.16 57.76 1rwt n GLU 39 Cb 0.29 -1.69 -0.06 0.00 0.27 0.00 0.00 31.44 30.25 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 -2.56 3.16 0.26 4.31 0.08 -1.26 -5.01 117.98 116.96 1rwt s PHE 40 Ca -0.17 0.04 -0.31 0.00 0.12 0.00 0.00 56.93 56.61 1rwt s PHE 40 Cb 0.07 -1.58 -0.12 0.00 -0.57 0.00 0.00 43.02 40.82 1rwt s PHE 40 CO 0.77 0.52 1.55 -2.30 -0.10 0.00 0.00 175.22 175.65 1rwt n PRO 41 N 0.23 2.47 -0.74 0.24 -0.02 -1.26 -2.90 135.00 133.00 1rwt n PRO 41 Ca -0.09 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1rwt n PRO 41 Cb 0.53 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 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 2.38 0.63 3.56 -1.23 0.00 -1.26 -4.98 105.19 104.28 1rwt n GLY 42 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.03 5.97 -0.04 1.61 -1.08 -1.14 -4.72 116.67 115.24 1rwt s ASP 43 Ca 0.00 -0.91 0.19 0.00 -0.52 0.00 0.00 52.55 51.30 1rwt s ASP 43 Cb 0.00 -2.56 0.61 0.00 -1.46 0.00 0.00 42.92 39.51 1rwt s ASP 43 CO 0.00 -1.97 1.51 -1.22 0.52 0.00 0.00 175.17 174.01 1rwt n TYR 44 N 10.66 1.08 -2.88 -5.34 4.02 -1.26 -4.85 117.16 118.59 1rwt n TYR 44 Ca 0.29 -0.48 -0.09 0.00 -0.01 0.00 0.00 57.90 57.61 1rwt n TYR 44 Cb 0.50 -0.10 0.03 0.00 -0.02 0.00 0.00 39.34 39.75 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 1.34 0.36 3.16 2.72 0.00 -1.26 -1.12 105.19 110.40 1rwt n GLY 45 Ca 0.23 -0.32 -0.34 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 -3.12 3.00 -0.38 1.61 -0.00 -1.26 -4.57 118.94 114.21 1rwt s TRP 46 Ca 0.20 -1.65 0.05 0.00 -0.00 0.00 0.00 56.10 54.70 1rwt s TRP 46 Cb -0.09 -2.00 0.28 0.00 -0.00 0.00 0.00 33.47 31.67 1rwt s TRP 46 CO 0.28 -0.76 1.24 -3.47 -0.00 0.00 0.00 176.95 174.23 1rwt n ASP 47 N 4.63 -1.70 0.34 5.86 4.64 -1.26 -5.01 116.55 124.04 1rwt n ASP 47 Ca -0.18 -2.50 0.21 0.00 -1.38 0.00 0.00 54.79 50.95 1rwt n ASP 47 Cb 0.47 1.31 1.11 0.00 -1.04 0.00 0.00 41.12 42.98 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 1.55 0.01 -0.18 5.18 1.35 -2.05 0.15 112.91 118.92 1rwt h THR 48 Ca -0.30 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1rwt h THR 48 Cb 1.21 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1rwt h THR 48 CO -0.03 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.24 1rwt n ALA 49 N -2.03 2.45 -3.95 6.62 0.00 -1.26 -4.96 120.51 117.37 1rwt n ALA 49 Ca -0.03 -0.81 -0.31 0.00 0.00 0.00 0.00 53.44 52.29 1rwt n ALA 49 Cb 0.16 -0.85 0.01 0.00 0.00 0.00 0.00 19.45 18.77 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 1.41 -0.49 0.25 0.00 0.00 0.52 -4.84 105.19 102.04 1rwt n GLY 50 Ca 0.16 0.18 0.15 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.89 0.00 -3.24 0.99 3.38 -1.93 -3.15 115.31 109.46 1rwt h LEU 51 Ca -0.57 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.38 1rwt h LEU 51 Cb 1.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 1rwt h LEU 51 CO 0.69 0.02 -0.00 -1.20 0.09 0.00 0.00 178.44 178.04 1rwt n SER 52 N -3.11 3.59 -0.32 -0.43 7.64 -1.26 -4.67 113.62 115.06 1rwt n SER 52 Ca 0.02 -3.10 0.06 0.00 1.01 0.00 0.00 58.87 56.86 1rwt n SER 52 Cb 0.41 -0.54 0.26 0.00 -1.01 0.00 0.00 64.21 63.33 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 1.53 1.56 -2.24 -0.43 0.00 -1.94 -3.39 119.26 114.35 1rwt h ALA 53 Ca 0.02 -0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.35 1rwt h ALA 53 Cb 1.42 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 1rwt h ALA 53 CO 0.22 0.25 0.57 0.34 0.00 0.00 0.00 179.25 180.63 1rwt s ASP 54 N -5.87 6.99 0.51 0.00 -1.08 -1.26 -4.95 116.67 111.01 1rwt s ASP 54 Ca -0.11 1.23 0.21 0.00 -0.52 0.00 0.00 52.55 53.36 1rwt s ASP 54 Cb 0.21 -2.49 1.30 0.00 -1.46 0.00 0.00 42.92 40.48 1rwt s ASP 54 CO 0.80 -0.53 2.02 1.55 0.52 0.00 0.00 175.17 179.53 1rwt h PRO 55 N 7.46 0.08 -0.08 4.34 0.13 -1.99 0.13 132.00 142.07 1rwt h PRO 55 Ca -0.24 -0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.71 1rwt h PRO 55 Cb 1.10 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.22 1rwt h PRO 55 CO 0.90 0.05 -0.65 1.49 -0.23 0.00 0.00 178.00 179.56 1rwt h GLU 56 N 0.08 0.58 -0.22 0.86 4.57 -1.92 -2.12 114.58 116.41 1rwt h GLU 56 Ca 0.21 -0.52 -0.13 0.00 -1.18 0.00 0.00 59.36 57.75 1rwt h GLU 56 Cb 0.72 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 1rwt h GLU 56 CO -0.02 1.14 -0.39 1.15 -1.18 0.00 0.00 179.01 179.71 1rwt h THR 57 N 0.20 1.30 -0.56 0.32 2.02 -1.77 -2.67 112.91 111.76 1rwt h THR 57 Ca -0.06 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.58 1rwt h THR 57 Cb 1.30 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 69.25 1rwt h THR 57 CO 0.13 0.48 0.36 0.15 0.37 0.00 0.00 175.52 177.01 1rwt h PHE 58 N 0.41 0.72 -0.82 3.16 3.57 -0.72 0.26 116.94 123.51 1rwt h PHE 58 Ca 0.04 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1rwt h PHE 58 Cb 0.87 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 1rwt h PHE 58 CO 0.03 0.47 0.53 0.00 -2.23 0.00 0.00 178.31 177.11 1rwt h ALA 59 N 1.19 1.04 -0.73 2.41 0.00 -1.15 -1.09 119.26 120.93 1rwt h ALA 59 Ca 0.20 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1rwt h ALA 59 Cb -0.05 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.37 1rwt h ALA 59 CO -0.04 0.47 0.25 0.87 0.00 0.00 0.00 179.25 180.80 1rwt h LYS 60 N 1.12 1.11 -0.12 0.00 1.79 -1.03 -2.61 116.57 116.83 1rwt h LYS 60 Ca 0.30 -0.22 -0.12 0.00 -2.18 0.00 0.00 60.65 58.42 1rwt h LYS 60 Cb -0.11 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.36 1rwt h LYS 60 CO -0.06 0.93 -0.47 -0.91 -1.08 0.00 0.00 179.45 177.86 1rwt h ASN 61 N 1.08 0.32 -0.11 0.86 2.35 -0.45 -1.85 115.58 117.78 1rwt h ASN 61 Ca 0.24 -0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.76 1rwt h ASN 61 Cb 0.27 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 1rwt h ASN 61 CO -0.01 0.75 -0.15 0.03 -1.65 0.00 0.00 177.43 176.39 1rwt h ARG 62 N 0.24 0.48 -0.08 0.81 3.08 -0.91 0.68 114.38 118.68 1rwt h ARG 62 Ca 0.01 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 1rwt h ARG 62 Cb 0.93 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.93 1rwt h ARG 62 CO 0.08 0.62 -0.08 0.93 -1.07 0.00 0.00 179.97 180.45 1rwt h GLU 63 N 0.44 0.20 -0.52 0.04 5.08 -1.24 -1.96 114.58 116.61 1rwt h GLU 63 Ca 0.08 -0.11 0.08 0.00 -1.00 0.00 0.00 59.36 58.42 1rwt h GLU 63 Cb 0.53 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.71 1rwt h GLU 63 CO 0.03 0.63 0.14 -0.07 -1.00 0.00 0.00 179.01 178.75 1rwt h LEU 64 N -0.23 0.08 -0.26 1.33 3.38 -1.05 -0.79 115.31 117.76 1rwt h LEU 64 Ca 0.01 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1rwt h LEU 64 Cb 0.60 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1rwt h LEU 64 CO 0.02 0.07 0.15 -0.08 0.09 0.00 0.00 178.44 178.68 1rwt h GLU 65 N 0.29 0.36 -0.37 1.13 4.81 -0.81 -0.84 114.58 119.16 1rwt h GLU 65 Ca 0.26 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 1rwt h GLU 65 Cb 0.33 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1rwt h GLU 65 CO -0.31 0.31 -0.07 0.28 -0.73 0.00 0.00 179.01 178.49 1rwt h VAL 66 N 0.32 1.27 -0.84 0.32 2.07 -0.99 -0.06 116.25 118.34 1rwt h VAL 66 Ca 0.09 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 1rwt h VAL 66 Cb 0.05 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1rwt h VAL 66 CO -0.02 0.37 0.44 0.40 0.02 0.00 0.00 177.57 178.79 1rwt h ILE 67 N 0.49 1.25 -0.44 4.57 1.08 -1.10 -0.75 117.51 122.62 1rwt h ILE 67 Ca 0.09 -0.64 -0.08 0.00 -0.39 0.00 0.00 64.86 63.84 1rwt h ILE 67 Cb 0.58 0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.45 1rwt h ILE 67 CO 0.03 0.28 -0.05 0.45 -0.69 0.00 0.00 178.15 178.17 1rwt h HIS 68 N 1.17 0.80 -0.03 1.37 3.86 -1.00 -2.22 115.15 119.11 1rwt h HIS 68 Ca 0.29 -0.13 0.01 0.00 -1.16 0.00 0.00 60.37 59.39 1rwt h HIS 68 Cb 0.06 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.30 1rwt h HIS 68 CO 0.01 0.78 -0.05 0.00 0.86 0.00 0.00 177.93 179.53 1rwt h ARG 70 N -0.07 0.65 -0.26 0.00 3.08 -1.04 -1.19 114.38 115.54 1rwt h ARG 70 Ca 0.03 -0.16 -0.17 0.00 0.07 0.00 0.00 59.98 59.76 1rwt h ARG 70 Cb 0.11 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1rwt h ARG 70 CO -0.07 0.67 -0.49 -1.49 -1.07 0.00 0.00 179.97 177.52 1rwt h TRP 71 N 0.61 1.00 0.00 3.04 4.06 -1.10 -2.82 115.95 120.74 1rwt h TRP 71 Ca 0.12 -0.36 -0.08 0.00 2.06 0.00 0.00 58.89 60.64 1rwt h TRP 71 Cb 0.40 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.36 1rwt h TRP 71 CO 0.02 1.16 -0.38 0.00 -3.56 0.00 0.00 178.44 175.68 1rwt h ALA 72 N 0.66 1.34 -0.20 1.49 0.00 -0.53 0.09 119.26 122.10 1rwt h ALA 72 Ca 0.01 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 1rwt h ALA 72 Cb 1.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1rwt h ALA 72 CO 0.11 0.47 -0.51 0.52 0.00 0.00 0.00 179.25 179.84 1rwt h MET 73 N 0.00 0.71 -0.41 0.00 2.86 -1.20 0.12 114.93 117.01 1rwt h MET 73 Ca -0.00 -0.49 -0.10 0.00 -2.06 0.00 0.00 59.70 57.05 1rwt h MET 73 Cb 0.68 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 1rwt h MET 73 CO 0.05 1.11 -0.16 -0.07 1.06 0.00 0.00 176.91 178.90 1rwt h LEU 74 N 0.42 0.77 -0.32 1.22 3.38 -1.27 -2.72 115.31 116.78 1rwt h LEU 74 Ca -0.01 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 1rwt h LEU 74 Cb 1.13 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1rwt h LEU 74 CO 0.11 0.93 -0.29 1.23 0.09 0.00 0.00 178.44 180.51 1rwt h GLY 75 N 0.97 0.83 0.92 0.83 0.00 -0.86 0.16 103.07 105.93 1rwt h GLY 75 Ca 0.11 -0.84 -0.02 0.00 0.00 0.00 0.00 47.33 46.58 1rwt h GLY 75 CO 0.05 0.75 0.12 0.00 0.00 0.00 0.00 176.54 177.47 1rwt h ALA 76 N 0.73 0.41 -0.43 3.60 0.00 -0.73 0.27 119.26 123.11 1rwt h ALA 76 Ca 0.06 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1rwt h ALA 76 Cb 0.86 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1rwt h ALA 76 CO 0.07 0.01 0.03 1.25 0.00 0.00 0.00 179.25 180.61 1rwt h LEU 77 N 0.36 0.71 -0.66 0.00 5.85 -1.48 -2.48 115.31 117.61 1rwt h LEU 77 Ca 0.10 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1rwt h LEU 77 Cb 0.18 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1rwt h LEU 77 CO -0.01 0.82 0.37 1.23 -0.34 0.00 0.00 178.44 180.51 1rwt h GLY 78 N 0.58 0.98 0.95 3.75 0.00 -0.40 -0.14 103.07 108.77 1rwt h GLY 78 Ca 0.13 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 1rwt h GLY 78 CO 0.02 0.42 0.02 0.00 0.00 0.00 0.00 176.54 176.99 1rwt h VAL 80 N 0.54 1.34 -0.17 0.00 2.07 -1.32 -3.39 116.25 115.32 1rwt h VAL 80 Ca 0.12 -1.89 0.05 0.00 0.82 0.00 0.00 66.70 65.79 1rwt h VAL 80 Cb 0.45 2.15 -0.07 0.00 -1.52 0.00 0.00 31.29 32.30 1rwt h VAL 80 CO 0.02 0.58 -0.41 0.15 0.02 0.00 0.00 177.57 177.93 1rwt h PHE 81 N 0.25 -1.17 -0.75 1.57 3.57 -1.11 -0.81 116.94 118.48 1rwt h PHE 81 Ca -0.04 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1rwt h PHE 81 Cb 1.25 0.54 -0.05 0.00 2.79 0.00 0.00 35.95 40.48 1rwt h PHE 81 CO 0.11 -0.46 0.48 -1.35 -2.23 0.00 0.00 178.31 174.85 1rwt h PRO 82 N -0.46 0.91 -0.95 6.41 0.11 -1.77 -1.53 132.00 134.73 1rwt h PRO 82 Ca 0.09 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1rwt h PRO 82 Cb 0.61 -0.21 -0.05 0.00 0.11 0.00 0.00 31.00 31.47 1rwt h PRO 82 CO -0.42 0.60 0.60 1.49 -0.21 0.00 0.00 178.00 180.07 1rwt h GLU 83 N 0.94 1.28 -0.44 1.05 4.81 -1.53 0.10 114.58 120.80 1rwt h GLU 83 Ca 0.30 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1rwt h GLU 83 Cb -0.00 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.08 1rwt h GLU 83 CO -0.10 0.87 0.23 1.25 -0.73 0.00 0.00 179.01 180.52 1rwt h LEU 84 N 1.31 0.56 -0.73 1.64 5.85 -0.46 -0.66 115.31 122.81 1rwt h LEU 84 Ca 0.35 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.85 1rwt h LEU 84 Cb -0.10 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 1rwt h LEU 84 CO -0.07 0.52 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.32 1rwt h LEU 85 N 0.57 0.80 -0.18 2.25 3.38 -0.81 -2.94 115.31 118.39 1rwt h LEU 85 Ca 0.15 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1rwt h LEU 85 Cb 0.09 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1rwt h LEU 85 CO -0.02 0.96 0.06 0.00 0.09 0.00 0.00 178.44 179.53 1rwt h ALA 86 N 1.11 0.19 0.00 1.53 0.00 -0.35 0.22 119.26 121.97 1rwt h ALA 86 Ca 0.11 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1rwt h ALA 86 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1rwt h ALA 86 CO 0.05 -0.37 0.00 0.54 0.00 0.00 0.00 179.25 179.47 1rwt n ARG 87 N -5.05 0.08 -0.54 0.00 1.74 -0.30 -1.63 116.66 110.96 1rwt n ARG 87 Ca -0.03 0.23 0.05 0.00 -0.77 0.00 0.00 57.85 57.33 1rwt n ARG 87 Cb 0.07 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.20 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 -1.29 2.02 0.00 0.55 4.13 0.03 -4.99 115.26 115.71 1rwt n ASN 88 Ca 0.03 -3.72 0.00 0.00 1.68 0.00 0.00 54.58 52.57 1rwt n ASN 88 Cb 0.04 -0.53 0.00 0.00 -1.54 0.00 0.00 39.78 37.75 1rwt n ASN 88 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1rwt n GLY 89 N -1.15 2.81 3.72 7.41 0.00 -0.64 -5.02 105.19 112.31 1rwt n GLY 89 Ca 0.21 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 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 0.78 -3.59 1.61 0.31 -0.95 -4.97 118.33 111.52 1rwt n VAL 90 Ca 0.00 -0.19 -0.40 0.00 -0.01 0.00 0.00 64.34 63.73 1rwt n VAL 90 Cb 0.00 -1.85 -0.11 0.00 -0.91 0.00 0.00 33.84 30.97 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 -0.12 3.00 0.27 5.55 -0.14 -1.26 -4.11 119.74 122.92 1rwt s LYS 91 Ca 0.67 -0.97 0.07 0.00 -1.36 0.00 0.00 55.97 54.39 1rwt s LYS 91 Cb -0.54 -3.73 -0.03 0.00 -1.68 0.00 0.00 37.83 31.85 1rwt s LYS 91 CO 0.45 -0.63 0.24 -0.06 -0.76 0.00 0.00 175.35 174.59 1rwt s PHE 92 N 1.59 3.11 0.18 3.18 0.08 -1.26 -4.01 117.98 120.85 1rwt s PHE 92 Ca 0.03 -0.14 -0.11 0.00 0.12 0.00 0.00 56.93 56.84 1rwt s PHE 92 Cb -0.19 -1.50 0.09 0.00 -0.57 0.00 0.00 43.02 40.85 1rwt s PHE 92 CO 0.07 0.44 1.73 0.78 -0.10 0.00 0.00 175.22 178.14 1rwt h GLY 93 N 1.40 1.05 -5.68 4.36 0.00 -1.94 -3.42 103.07 98.85 1rwt h GLY 93 Ca -0.48 -0.60 0.03 0.00 0.00 0.00 0.00 47.33 46.28 1rwt h GLY 93 CO 0.60 0.56 -0.26 1.85 0.00 0.00 0.00 176.54 179.30 1rwt s GLU 94 N -5.47 0.51 0.01 4.80 2.56 -1.26 -5.03 118.70 114.82 1rwt s GLU 94 Ca -0.13 1.12 0.19 0.00 0.00 0.00 0.00 54.97 56.16 1rwt s GLU 94 Cb 0.13 0.52 -0.19 0.00 2.00 0.00 0.00 34.13 36.60 1rwt s GLU 94 CO 0.81 -0.42 0.63 0.00 -0.56 0.00 0.00 175.26 175.72 1rwt n ALA 95 N 5.42 2.19 -2.10 6.30 0.00 -1.26 -4.44 120.51 126.62 1rwt n ALA 95 Ca -0.06 -0.63 -0.42 0.00 0.00 0.00 0.00 53.44 52.33 1rwt n ALA 95 Cb 0.50 -0.79 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 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 -3.08 3.26 0.30 0.00 1.01 -1.26 -3.51 120.40 117.12 1rwt s VAL 96 Ca -0.05 0.81 0.06 0.00 0.00 0.00 0.00 61.98 62.80 1rwt s VAL 96 Cb 0.10 -3.52 0.30 0.00 0.00 0.00 0.00 36.38 33.25 1rwt s VAL 96 CO 0.84 0.03 1.76 4.11 0.00 0.00 0.00 175.10 181.84 1rwt h TRP 97 N 7.42 1.02 -0.16 5.22 5.08 -1.91 -0.91 115.95 131.72 1rwt h TRP 97 Ca -0.41 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.59 1rwt h TRP 97 Cb 1.20 -0.30 0.00 0.00 -3.00 0.00 0.00 29.16 27.06 1rwt h TRP 97 CO 0.71 0.19 0.00 1.97 -1.28 0.00 0.00 178.44 180.03 1rwt n PHE 98 N -4.81 0.36 -0.06 0.12 1.16 -1.26 -3.29 117.46 109.68 1rwt n PHE 98 Ca 0.23 -0.14 0.00 0.00 -1.87 0.00 0.00 57.45 55.67 1rwt n PHE 98 Cb 0.59 -0.09 0.00 0.00 -1.61 0.00 0.00 39.48 38.37 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 0.08 2.79 -0.33 3.97 5.02 -0.41 -4.84 118.16 124.44 1rwt n LYS 99 Ca 0.06 -0.03 -0.01 0.00 -2.02 0.00 0.00 58.31 56.32 1rwt n LYS 99 Cb 0.30 -0.29 0.12 0.00 -0.02 0.00 0.00 35.03 35.15 1rwt n LYS 99 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rwt h ALA 100 N 0.00 1.19 -0.68 7.82 0.00 -1.37 -2.77 119.26 123.45 1rwt h ALA 100 Ca 0.00 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1rwt h ALA 100 Cb 0.03 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 17.45 1rwt h ALA 100 CO 0.00 0.42 0.32 0.78 0.00 0.00 0.00 179.25 180.78 1rwt h GLY 101 N 1.12 1.00 1.79 0.00 0.00 -1.88 -1.87 103.07 103.22 1rwt h GLY 101 Ca 0.36 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1rwt h GLY 101 CO -0.13 0.05 0.06 -1.14 0.00 0.00 0.00 176.54 175.39 1rwt n SER 102 N -4.89 0.24 0.26 0.19 3.41 -1.04 -2.20 113.62 109.59 1rwt n SER 102 Ca 0.10 0.57 0.09 0.00 -0.26 0.00 0.00 58.87 59.38 1rwt n SER 102 Cb 0.26 -0.59 0.69 0.00 -0.26 0.00 0.00 64.21 64.31 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 -1.46 -1.51 115.11 120.67 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 0.13 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 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 0.58 -0.01 2.54 6.09 -1.67 -0.12 117.51 124.93 1rwt h ILE 104 Ca 0.01 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 63.40 1rwt h ILE 104 Cb 0.03 1.06 0.00 0.00 0.47 0.00 0.00 36.82 38.38 1rwt h ILE 104 CO -0.00 0.02 -0.06 0.49 -3.07 0.00 0.00 178.15 175.53 1rwt n PHE 105 N -3.88 0.00 -0.96 2.19 3.72 -0.57 -4.68 117.46 113.28 1rwt n PHE 105 Ca -0.03 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.09 1rwt n PHE 105 Cb 0.11 -0.04 0.20 0.00 -0.94 0.00 0.00 39.48 38.81 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 -2.14 2.17 0.07 4.37 0.01 -0.06 -4.96 113.70 113.16 1rwt s SER 106 Ca 0.36 1.35 -0.25 0.00 1.31 0.00 0.00 55.95 58.71 1rwt s SER 106 Cb 0.21 -2.05 -0.16 0.00 0.21 0.00 0.00 66.02 64.23 1rwt s SER 106 CO 0.39 -3.44 1.65 -0.08 0.41 0.00 0.00 173.24 172.17 1rwt h GLU 107 N -2.10 -0.16 -0.55 12.44 4.57 -1.91 -3.07 114.58 123.79 1rwt h GLU 107 Ca -0.56 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.63 1rwt h GLU 107 Cb 1.32 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.95 1rwt h GLU 107 CO 0.55 -0.05 0.00 0.41 -1.18 0.00 0.00 179.01 178.74 1rwt n GLY 108 N -0.99 1.61 7.00 1.92 0.00 -1.26 -5.06 105.19 108.42 1rwt n GLY 108 Ca -0.08 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 1.28 -1.51 3.47 -0.02 0.00 -1.16 -4.74 105.19 102.50 1rwt n GLY 109 Ca 0.18 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 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 4.84 -0.26 0.99 0.20 -0.13 -4.73 118.68 119.59 1rwt s LEU 110 Ca 0.00 -0.76 -0.08 0.00 0.69 0.00 0.00 54.13 53.97 1rwt s LEU 110 Cb 0.00 -2.13 -0.03 0.00 -0.43 0.00 0.00 46.19 43.60 1rwt s LEU 110 CO 0.00 -0.37 0.10 -1.81 -0.29 0.00 0.00 176.35 173.98 1rwt s ASP 111 N 1.67 5.35 0.26 3.68 1.01 -1.26 -1.70 116.67 125.69 1rwt s ASP 111 Ca 0.05 -0.16 -0.31 0.00 0.71 0.00 0.00 52.55 52.84 1rwt s ASP 111 Cb -0.18 -1.97 -0.12 0.00 1.01 0.00 0.00 42.92 41.65 1rwt s ASP 111 CO 0.09 -0.04 1.61 0.00 0.21 0.00 0.00 175.17 177.04 1rwt n TYR 112 N 4.96 2.74 -1.80 4.23 9.36 -0.27 -0.68 117.16 135.69 1rwt n TYR 112 Ca -0.16 0.22 -0.15 0.00 3.32 0.00 0.00 57.90 61.14 1rwt n TYR 112 Cb 0.52 -2.60 -0.04 0.00 -0.63 0.00 0.00 39.34 36.58 1rwt n TYR 112 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1rwt n LEU 113 N 2.63 -1.22 -0.05 2.98 4.77 -1.26 -0.03 117.00 124.82 1rwt n LEU 113 Ca 0.11 0.28 -0.01 0.00 -0.03 0.00 0.00 56.01 56.37 1rwt n LEU 113 Cb 0.35 -2.29 -0.00 0.00 -2.33 0.00 0.00 43.42 39.15 1rwt n LEU 113 CO 0.64 -0.56 -0.01 0.61 -1.33 0.00 0.00 177.39 176.74 1rwt n GLY 114 N -0.50 0.29 3.64 -0.72 0.00 0.14 -4.75 105.19 103.28 1rwt n GLY 114 Ca -0.16 -0.03 -0.39 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 -2.05 6.38 0.00 1.61 3.84 0.96 -4.94 114.94 120.74 1rwt s ASN 115 Ca 0.00 0.45 0.04 0.00 0.21 0.00 0.00 52.86 53.57 1rwt s ASN 115 Cb 0.00 -2.24 0.20 0.00 -0.55 0.00 0.00 41.25 38.66 1rwt s ASN 115 CO 0.00 -0.17 1.10 -2.65 -2.79 0.00 0.00 177.10 172.59 1rwt n PRO 116 N 5.04 0.01 -0.04 0.43 -0.02 -1.26 -1.30 135.00 137.86 1rwt n PRO 116 Ca -0.07 0.38 0.11 0.00 -2.02 0.00 0.00 63.50 61.91 1rwt n PRO 116 Cb 0.51 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.61 1rwt n PRO 116 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1rwt n SER 117 N -1.45 3.01 -4.19 2.55 7.64 -1.26 -4.65 113.62 115.27 1rwt n SER 117 Ca 0.01 -1.95 -0.35 0.00 1.01 0.00 0.00 58.87 57.59 1rwt n SER 117 Cb 0.05 -0.06 -0.14 0.00 -1.01 0.00 0.00 64.21 63.05 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 -1.79 3.40 0.00 -3.43 1.43 -0.42 -4.87 118.68 113.00 1rwt s LEU 118 Ca 0.29 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 1rwt s LEU 118 Cb 0.20 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.73 1rwt s LEU 118 CO 0.29 -0.17 0.00 0.52 0.23 0.00 0.00 176.35 177.22 1rwt n VAL 119 N 4.66 0.00 -4.00 -1.59 0.31 -1.26 -1.12 118.33 115.33 1rwt n VAL 119 Ca -0.15 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.88 1rwt n VAL 119 Cb 0.46 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 -1.89 -2.06 3.52 -0.00 -1.04 -4.89 115.22 108.86 1rwt n HIS 120 Ca 0.00 0.82 -0.41 0.00 0.46 0.00 0.00 57.72 58.59 1rwt n HIS 120 Cb 0.00 -3.62 -0.02 0.00 -0.12 0.00 0.00 29.99 26.22 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 -3.53 3.57 0.00 1.57 0.00 -0.69 -4.74 121.76 117.94 1rwt s ALA 121 Ca 0.42 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.68 1rwt s ALA 121 Cb -0.22 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1rwt s ALA 121 CO 0.88 -0.70 0.00 1.04 0.00 0.00 0.00 175.76 176.98 1rwt n GLN 122 N 1.74 2.57 -4.05 0.00 1.13 -1.26 -0.96 117.38 116.55 1rwt n GLN 122 Ca 0.04 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.78 1rwt n GLN 122 Cb 0.41 -0.80 -0.16 0.00 0.11 0.00 0.00 30.24 29.80 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 -1.58 3.66 0.37 1.08 0.15 -1.26 -4.96 113.70 111.16 1rwt s SER 123 Ca 0.00 -0.99 0.12 0.00 0.70 0.00 0.00 55.95 55.78 1rwt s SER 123 Cb 0.00 -1.39 0.72 0.00 -1.71 0.00 0.00 66.02 63.64 1rwt s SER 123 CO 0.00 -0.12 1.83 -0.29 1.20 0.00 0.00 173.24 175.86 1rwt h ILE 124 N 6.40 1.26 -0.39 6.45 6.09 -1.95 -2.09 117.51 133.28 1rwt h ILE 124 Ca -0.29 -1.24 -0.03 0.00 -1.37 0.00 0.00 64.86 61.92 1rwt h ILE 124 Cb 1.09 1.66 -0.02 0.00 0.47 0.00 0.00 36.82 40.02 1rwt h ILE 124 CO 0.51 0.36 0.13 -0.07 -3.07 0.00 0.00 178.15 176.01 1rwt h LEU 125 N 0.02 0.56 -0.45 2.19 3.38 -1.99 0.01 115.31 119.03 1rwt h LEU 125 Ca -0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1rwt h LEU 125 Cb 0.64 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1rwt h LEU 125 CO 0.05 0.60 0.22 0.00 0.09 0.00 0.00 178.44 179.40 1rwt h ALA 126 N 0.98 0.57 -0.26 1.53 0.00 -1.91 0.29 119.26 120.47 1rwt h ALA 126 Ca 0.13 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1rwt h ALA 126 Cb 0.24 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1rwt h ALA 126 CO -0.01 0.13 0.09 0.82 0.00 0.00 0.00 179.25 180.29 1rwt h ILE 127 N 0.58 0.94 -0.57 0.00 2.04 -1.20 -2.15 117.51 117.15 1rwt h ILE 127 Ca 0.15 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.95 1rwt h ILE 127 Cb 0.11 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1rwt h ILE 127 CO -0.02 0.04 0.37 -0.25 0.00 0.00 0.00 178.15 178.29 1rwt h TRP 128 N 0.21 0.71 -0.61 1.37 7.01 -0.63 -2.40 115.95 121.60 1rwt h TRP 128 Ca 0.11 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 1rwt h TRP 128 Cb 0.07 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 26.87 1rwt h TRP 128 CO -0.12 0.44 0.32 0.00 -2.79 0.00 0.00 178.44 176.29 1rwt h ALA 129 N 1.22 0.79 -0.74 2.65 0.00 -0.66 -2.25 119.26 120.27 1rwt h ALA 129 Ca 0.21 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1rwt h ALA 129 Cb -0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1rwt h ALA 129 CO -0.05 0.32 0.35 0.00 0.00 0.00 0.00 179.25 179.87 1rwt h GLN 131 N 1.04 0.99 -0.37 0.00 4.15 -1.11 0.01 115.11 119.81 1rwt h GLN 131 Ca 0.25 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1rwt h GLN 131 Cb 0.13 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 1rwt h GLN 131 CO -0.03 0.84 0.24 0.28 -1.93 0.00 0.00 178.83 178.23 1rwt h VAL 132 N 0.93 1.10 0.49 2.39 2.07 -1.27 0.13 116.25 122.08 1rwt h VAL 132 Ca 0.22 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1rwt h VAL 132 Cb 0.23 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1rwt h VAL 132 CO -0.02 0.09 -0.24 0.40 0.02 0.00 0.00 177.57 177.83 1rwt h ILE 133 N 0.50 0.38 -0.03 4.57 1.08 -1.28 0.13 117.51 122.86 1rwt h ILE 133 Ca 0.14 -0.44 -0.00 0.00 -0.39 0.00 0.00 64.86 64.17 1rwt h ILE 133 Cb -0.06 0.53 -0.00 0.00 -3.07 0.00 0.00 36.82 34.22 1rwt h ILE 133 CO -0.03 0.06 0.02 -0.07 -0.69 0.00 0.00 178.15 177.43 1rwt h LEU 134 N -0.97 0.04 -0.37 1.44 3.38 -1.01 0.06 115.31 117.89 1rwt h LEU 134 Ca -0.07 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 1rwt h LEU 134 Cb 0.60 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1rwt h LEU 134 CO 0.11 0.12 -0.25 0.24 0.09 0.00 0.00 178.44 178.75 1rwt h MET 135 N -0.04 0.81 -0.62 1.13 2.86 -0.84 -1.65 114.93 116.58 1rwt h MET 135 Ca 0.01 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 1rwt h MET 135 Cb 0.09 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 1rwt h MET 135 CO -0.00 1.02 0.41 0.78 1.06 0.00 0.00 176.91 180.17 1rwt h GLY 136 N 0.61 0.87 0.59 8.32 0.00 -0.65 0.05 103.07 112.86 1rwt h GLY 136 Ca 0.07 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1rwt h GLY 136 CO 0.07 0.32 -0.13 0.00 0.00 0.00 0.00 176.54 176.80 1rwt h ALA 137 N 1.61 0.10 -0.05 3.60 0.00 -0.77 -2.55 119.26 121.20 1rwt h ALA 137 Ca 0.23 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1rwt h ALA 137 Cb -0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1rwt h ALA 137 CO -0.05 -0.01 -0.59 -0.39 0.00 0.00 0.00 179.25 178.21 1rwt h VAL 138 N -0.29 1.40 -0.33 0.00 -1.51 -1.10 -1.12 116.25 113.31 1rwt h VAL 138 Ca 0.00 -1.98 -0.13 0.00 -1.23 0.00 0.00 66.70 63.37 1rwt h VAL 138 Cb 0.71 2.02 -0.01 0.00 -2.13 0.00 0.00 31.29 31.88 1rwt h VAL 138 CO 0.03 0.58 -0.31 -0.33 -1.23 0.00 0.00 177.57 176.31 1rwt h GLU 139 N 0.12 0.70 -0.28 5.19 4.39 -1.07 -0.86 114.58 122.77 1rwt h GLU 139 Ca -0.01 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.37 1rwt h GLU 139 Cb 1.07 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 1rwt h GLU 139 CO 0.09 0.92 0.15 0.78 -1.16 0.00 0.00 179.01 179.79 1rwt h GLY 140 N 0.98 0.41 0.80 -3.84 0.00 -1.10 -2.54 103.07 97.78 1rwt h GLY 140 Ca 0.07 -0.19 0.04 0.00 0.00 0.00 0.00 47.33 47.25 1rwt h GLY 140 CO 0.07 0.18 0.29 -0.97 0.00 0.00 0.00 176.54 176.10 1rwt h TYR 141 N 0.33 0.53 -0.26 5.60 0.99 -0.93 0.62 116.97 123.86 1rwt h TYR 141 Ca 0.10 0.02 0.07 0.00 2.00 0.00 0.00 58.73 60.92 1rwt h TYR 141 Cb 0.06 -0.16 -0.01 0.00 1.00 0.00 0.00 36.73 37.61 1rwt h TYR 141 CO -0.03 0.28 0.32 -0.09 -0.00 0.00 0.00 178.16 178.64 1rwt h ARG 142 N 0.56 0.00 0.01 4.88 2.43 -0.76 1.09 114.38 122.60 1rwt h ARG 142 Ca 0.22 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 59.03 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 -0.13 0.00 -2.00 -0.89 -1.51 0.00 0.00 179.97 175.45 1rwt n ILE 143 N -3.62 1.55 0.99 1.20 2.08 -0.25 -4.64 119.36 116.67 1rwt n ILE 143 Ca 0.04 -0.29 0.10 0.00 0.56 0.00 0.00 62.75 63.16 1rwt n ILE 143 Cb 0.46 -1.89 -0.11 0.00 -0.75 0.00 0.00 39.64 37.35 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 -3.72 4.67 0.00 -1.39 0.00 0.05 -4.91 120.51 115.20 1rwt n ALA 144 Ca -0.43 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.41 1rwt n ALA 144 Cb 0.83 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 1.19 0.00 0.00 0.00 0.37 -4.65 105.19 103.60 1rwt n GLY 145 Ca 0.04 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 1.25 1.71 0.30 -0.02 0.00 0.33 -4.47 105.19 104.30 1rwt n GLY 146 Ca 0.00 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 0.33 -0.26 1.61 0.11 -2.00 0.20 132.00 131.99 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 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.04 1rwt h PRO 147 CO 0.00 0.22 0.00 1.28 -0.21 0.00 0.00 178.00 179.29 1rwt n LEU 148 N -5.10 1.60 0.00 2.35 4.77 -1.26 -5.01 117.00 114.36 1rwt n LEU 148 Ca 0.20 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 1rwt n LEU 148 Cb 0.62 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1rwt n LEU 148 CO 0.12 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1rwt n GLY 149 N 1.02 1.63 3.71 -0.72 0.00 0.06 -4.44 105.19 106.45 1rwt n GLY 149 Ca 0.12 -1.72 -0.28 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.56 2.60 -0.56 1.61 2.56 -1.26 0.12 118.70 122.21 1rwt s GLU 150 Ca 0.00 -0.94 -0.28 0.00 0.00 0.00 0.00 54.97 53.75 1rwt s GLU 150 Cb 0.00 -2.51 0.03 0.00 2.00 0.00 0.00 34.13 33.65 1rwt s GLU 150 CO 0.00 0.49 1.15 0.08 -0.56 0.00 0.00 175.26 176.42 1rwt s VAL 151 N -1.59 4.09 -0.01 3.70 1.01 -1.26 -4.83 120.40 121.51 1rwt s VAL 151 Ca 0.28 0.88 -0.02 0.00 0.00 0.00 0.00 61.98 63.12 1rwt s VAL 151 Cb -0.10 -4.68 -0.01 0.00 0.00 0.00 0.00 36.38 31.59 1rwt s VAL 151 CO 0.20 -1.26 -0.04 0.52 0.00 0.00 0.00 175.10 174.52 1rwt n VAL 152 N 6.64 0.23 -3.62 2.92 0.31 -1.26 -4.90 118.33 118.64 1rwt n VAL 152 Ca 0.08 0.32 -0.40 0.00 -0.01 0.00 0.00 64.34 64.33 1rwt n VAL 152 Cb 0.49 -1.45 -0.11 0.00 -0.91 0.00 0.00 33.84 31.85 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 -4.59 5.66 0.21 4.52 -1.08 -1.26 -5.00 116.67 115.12 1rwt s ASP 153 Ca -0.03 -0.79 -0.18 0.00 -0.52 0.00 0.00 52.55 51.03 1rwt s ASP 153 Cb 0.00 -2.02 0.19 0.00 -1.46 0.00 0.00 42.92 39.64 1rwt s ASP 153 CO 0.05 -0.30 1.59 -0.65 0.52 0.00 0.00 175.17 176.37 1rwt h PRO 154 N 8.40 -0.09 0.00 4.34 0.11 -1.94 -2.73 132.00 140.08 1rwt h PRO 154 Ca -0.28 0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.71 1rwt h PRO 154 Cb 1.12 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1rwt h PRO 154 CO 0.65 -0.06 -0.90 -0.07 -0.21 0.00 0.00 178.00 177.41 1rwt h LEU 155 N -0.10 0.00 -6.17 2.35 3.38 -1.96 -3.41 115.31 109.40 1rwt h LEU 155 Ca 0.28 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.66 1rwt h LEU 155 Cb 0.56 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 40.89 1rwt h LEU 155 CO -0.74 0.49 -0.67 -1.22 0.09 0.00 0.00 178.44 176.38 1rwt n TYR 156 N -3.05 3.00 0.00 1.13 4.01 -1.04 -4.95 117.16 116.27 1rwt n TYR 156 Ca -0.03 -4.06 -0.09 0.00 -0.16 0.00 0.00 57.90 53.56 1rwt n TYR 156 Cb 0.76 -0.53 -0.03 0.00 -0.31 0.00 0.00 39.34 39.24 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 4.16 -0.22 0.00 -0.72 0.11 -1.79 -3.41 132.00 130.12 1rwt h PRO 157 Ca 0.18 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1rwt h PRO 157 Cb 0.70 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1rwt h PRO 157 CO 0.78 -0.15 0.00 0.41 -0.21 0.00 0.00 178.00 178.83 1rwt n GLY 158 N -1.32 0.04 7.00 -0.55 0.00 -1.26 -4.88 105.19 104.21 1rwt n GLY 158 Ca -0.03 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1rwt n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rwt n GLY 159 N 0.00 3.03 0.32 -0.02 0.00 -1.26 -0.33 105.19 106.92 1rwt n GLY 159 Ca 0.00 0.27 0.21 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.65 1.61 0.02 -1.90 -2.00 113.55 110.62 1rwt h SER 160 Ca 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 1rwt h SER 160 Cb 0.00 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.45 1rwt h SER 160 CO 0.00 0.00 0.19 0.49 -1.14 0.00 0.00 176.83 176.37 1rwt n PHE 161 N -3.05 2.21 -2.73 3.45 3.01 0.55 -4.34 117.46 116.56 1rwt n PHE 161 Ca -0.02 -1.11 -0.09 0.00 1.01 0.00 0.00 57.45 57.24 1rwt n PHE 161 Cb 0.13 -0.62 0.09 0.00 -0.01 0.00 0.00 39.48 39.08 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 -0.09 -1.77 -0.23 4.37 2.03 -0.75 -4.48 116.55 115.62 1rwt n ASP 162 Ca 0.37 -3.03 0.04 0.00 0.52 0.00 0.00 54.79 52.69 1rwt n ASP 162 Cb 1.30 1.24 0.15 0.00 -0.72 0.00 0.00 41.12 43.09 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 2.53 0.19 0.00 -0.67 0.11 -1.75 0.13 132.00 132.54 1rwt h PRO 163 Ca -0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1rwt h PRO 163 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1rwt h PRO 163 CO 0.07 0.13 0.00 1.28 -0.21 0.00 0.00 178.00 179.27 1rwt n LEU 164 N -5.22 0.00 -2.54 2.35 4.77 -1.26 -4.89 117.00 110.21 1rwt n LEU 164 Ca 0.12 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.94 1rwt n LEU 164 Cb 0.43 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1rwt n LEU 164 CO 0.11 0.00 -0.17 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 0.45 -4.83 105.19 100.62 1rwt n GLY 165 Ca 0.20 0.02 0.17 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.17 0.00 -3.38 0.99 3.38 -1.90 -1.83 115.31 112.39 1rwt h LEU 166 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1rwt h LEU 166 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1rwt h LEU 166 CO 0.44 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.97 1rwt n ALA 167 N -2.28 3.49 -0.23 1.53 0.00 -1.26 -4.60 120.51 117.16 1rwt n ALA 167 Ca -0.01 -1.86 -0.07 0.00 0.00 0.00 0.00 53.44 51.49 1rwt n ALA 167 Cb 0.18 -1.02 0.04 0.00 0.00 0.00 0.00 19.45 18.65 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 3.71 0.95 -3.27 0.00 3.32 -1.71 -3.42 116.42 116.00 1rwt h ASP 168 Ca 0.00 -0.21 -0.58 0.00 0.02 0.00 0.00 57.03 56.26 1rwt h ASP 168 Cb 1.72 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 40.95 1rwt h ASP 168 CO 0.37 0.90 0.47 -0.62 -1.72 0.00 0.00 179.24 178.64 1rwt s ASP 169 N -6.27 6.93 0.22 6.45 2.15 -1.26 -4.96 116.67 119.92 1rwt s ASP 169 Ca -0.12 1.15 -0.13 0.00 0.43 0.00 0.00 52.55 53.87 1rwt s ASP 169 Cb 0.14 -2.46 0.26 0.00 -0.30 0.00 0.00 42.92 40.56 1rwt s ASP 169 CO 0.82 -0.48 1.61 -0.65 -0.17 0.00 0.00 175.17 176.31 1rwt h PRO 170 N 7.48 -0.01 -0.34 4.34 0.11 -1.99 0.14 132.00 141.73 1rwt h PRO 170 Ca -0.26 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.89 1rwt h PRO 170 Cb 1.11 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1rwt h PRO 170 CO 0.87 -0.01 0.12 0.93 -0.21 0.00 0.00 178.00 179.70 1rwt h GLU 171 N -0.01 0.26 -0.69 1.05 5.08 -1.96 -1.43 114.58 116.87 1rwt h GLU 171 Ca 0.32 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.64 1rwt h GLU 171 Cb 0.51 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1rwt h GLU 171 CO -0.71 0.17 0.31 0.00 -1.00 0.00 0.00 179.01 177.79 1rwt h ALA 172 N 1.21 0.90 -0.22 3.43 0.00 -1.63 -2.69 119.26 120.25 1rwt h ALA 172 Ca 0.15 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1rwt h ALA 172 Cb 0.12 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1rwt h ALA 172 CO -0.15 0.48 -0.00 0.35 0.00 0.00 0.00 179.25 179.93 1rwt h PHE 173 N 0.98 -0.02 -0.45 0.00 3.57 -0.31 0.97 116.94 121.69 1rwt h PHE 173 Ca 0.24 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.76 1rwt h PHE 173 Cb 0.16 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 1rwt h PHE 173 CO 0.01 -0.04 0.30 0.00 -2.23 0.00 0.00 178.31 176.35 1rwt h ALA 174 N 1.19 1.72 0.14 2.41 0.00 -1.05 -1.39 119.26 122.28 1rwt h ALA 174 Ca 0.10 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 1rwt h ALA 174 Cb 0.13 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 17.78 1rwt h ALA 174 CO -0.18 0.25 -0.90 1.49 0.00 0.00 0.00 179.25 179.91 1rwt h GLU 175 N 0.57 0.36 -0.22 0.00 4.81 -1.07 -3.25 114.58 115.79 1rwt h GLU 175 Ca 0.17 -0.58 0.01 0.00 -0.13 0.00 0.00 59.36 58.84 1rwt h GLU 175 Cb -0.01 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1rwt h GLU 175 CO -0.04 1.26 0.15 -0.07 -0.73 0.00 0.00 179.01 179.58 1rwt h LEU 176 N -0.24 0.21 -0.79 1.64 3.38 -0.58 -1.40 115.31 117.53 1rwt h LEU 176 Ca -0.15 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1rwt h LEU 176 Cb 1.69 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.36 1rwt h LEU 176 CO 0.17 0.15 0.23 0.11 0.09 0.00 0.00 178.44 179.18 1rwt h LYS 177 N 0.24 1.13 -0.34 1.13 1.57 -1.31 -0.92 116.57 118.07 1rwt h LYS 177 Ca 0.09 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1rwt h LYS 177 Cb 0.06 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1rwt h LYS 177 CO -0.02 0.96 0.04 0.28 -0.57 0.00 0.00 179.45 180.15 1rwt h VAL 178 N 1.09 1.24 -0.61 0.50 2.07 -1.31 -2.21 116.25 117.02 1rwt h VAL 178 Ca 0.24 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.91 1rwt h VAL 178 Cb 0.31 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1rwt h VAL 178 CO -0.01 0.29 0.41 0.11 0.02 0.00 0.00 177.57 178.38 1rwt h LYS 179 N 0.41 0.77 -0.42 1.57 1.57 -1.07 -0.11 116.57 119.29 1rwt h LYS 179 Ca 0.10 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1rwt h LYS 179 Cb 0.37 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1rwt h LYS 179 CO 0.01 0.51 -0.00 1.49 -0.57 0.00 0.00 179.45 180.89 1rwt h GLU 180 N 0.79 0.74 -0.11 3.15 4.81 -0.87 -1.13 114.58 121.96 1rwt h GLU 180 Ca 0.23 -0.24 -0.18 0.00 -0.13 0.00 0.00 59.36 59.04 1rwt h GLU 180 Cb -0.04 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 1rwt h GLU 180 CO -0.06 0.82 -0.69 0.97 -0.73 0.00 0.00 179.01 179.32 1rwt h ILE 181 N 0.57 1.35 -0.11 2.32 2.10 -0.78 0.59 117.51 123.55 1rwt h ILE 181 Ca 0.12 -2.03 -0.22 0.00 1.08 0.00 0.00 64.86 63.81 1rwt h ILE 181 Cb 0.49 2.01 0.01 0.00 -1.09 0.00 0.00 36.82 38.24 1rwt h ILE 181 CO 0.02 0.62 -0.80 0.11 -1.08 0.00 0.00 178.15 177.02 1rwt h LYS 182 N 0.34 0.65 -0.22 2.19 1.57 -1.01 0.16 116.57 120.25 1rwt h LYS 182 Ca -0.02 -0.55 -0.12 0.00 -1.87 0.00 0.00 60.65 58.09 1rwt h LYS 182 Cb 1.26 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 1rwt h LYS 182 CO 0.12 1.17 -0.36 -0.91 -0.57 0.00 0.00 179.45 178.91 1rwt h ASN 183 N 0.43 0.49 -0.19 0.86 2.35 -1.19 -1.93 115.58 116.40 1rwt h ASN 183 Ca -0.06 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.44 1rwt h ASN 183 Cb 1.42 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.65 1rwt h ASN 183 CO 0.16 0.81 -0.11 1.23 -1.65 0.00 0.00 177.43 177.86 1rwt h GLY 184 N 1.08 0.45 1.15 2.83 0.00 -0.66 -1.71 103.07 106.21 1rwt h GLY 184 Ca 0.04 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 1rwt h GLY 184 CO 0.07 0.38 0.27 3.21 0.00 0.00 0.00 176.54 180.47 1rwt h ARG 185 N 0.10 1.08 -0.50 4.80 3.08 -0.64 -0.28 114.38 122.02 1rwt h ARG 185 Ca 0.04 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1rwt h ARG 185 Cb 0.61 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1rwt h ARG 185 CO 0.03 0.89 0.27 1.25 -1.07 0.00 0.00 179.97 181.34 1rwt h LEU 186 N 1.05 0.62 -0.46 3.04 5.85 -1.27 -0.27 115.31 123.87 1rwt h LEU 186 Ca 0.24 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1rwt h LEU 186 Cb 0.23 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1rwt h LEU 186 CO -0.02 0.53 0.23 0.00 -0.34 0.00 0.00 178.44 178.84 1rwt h ALA 187 N 1.11 0.60 -0.07 1.25 0.00 -0.78 -0.14 119.26 121.23 1rwt h ALA 187 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1rwt h ALA 187 Cb 0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1rwt h ALA 187 CO -0.03 0.15 0.04 0.52 0.00 0.00 0.00 179.25 179.94 1rwt h MET 188 N 0.60 0.09 -0.43 0.00 2.86 -0.80 0.24 114.93 117.50 1rwt h MET 188 Ca 0.16 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.88 1rwt h MET 188 Cb 0.11 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.67 1rwt h MET 188 CO -0.02 0.06 -0.04 0.35 1.06 0.00 0.00 176.91 178.31 1rwt h PHE 189 N 0.09 -0.11 -0.57 -0.22 3.57 -0.84 -1.23 116.94 117.62 1rwt h PHE 189 Ca 0.02 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 1rwt h PHE 189 Cb -0.01 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1rwt h PHE 189 CO -0.08 -0.13 0.07 0.77 -2.23 0.00 0.00 178.31 176.71 1rwt h SER 190 N 0.06 0.89 -0.61 0.41 0.02 -0.57 -2.42 113.55 111.34 1rwt h SER 190 Ca 0.21 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1rwt h SER 190 Cb 0.31 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 1rwt h SER 190 CO -0.39 0.91 0.18 0.24 -1.14 0.00 0.00 176.83 176.63 1rwt h MET 191 N 0.88 0.99 -0.50 3.45 2.86 0.29 0.26 114.93 123.16 1rwt h MET 191 Ca 0.18 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1rwt h MET 191 Cb 0.42 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1rwt h MET 191 CO 0.01 0.86 0.22 0.35 1.06 0.00 0.00 176.91 179.42 1rwt h PHE 192 N 0.95 0.70 -0.38 -0.22 3.57 -1.07 0.03 116.94 120.53 1rwt h PHE 192 Ca 0.21 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 1rwt h PHE 192 Cb 0.30 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1rwt h PHE 192 CO 0.02 0.53 0.02 0.78 -2.23 0.00 0.00 178.31 177.43 1rwt h GLY 193 N 0.83 0.70 1.01 2.40 0.00 -0.49 -1.49 103.07 106.03 1rwt h GLY 193 Ca 0.17 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 47.01 1rwt h GLY 193 CO -0.02 0.46 0.60 0.74 0.00 0.00 0.00 176.54 178.31 1rwt h PHE 194 N 0.48 1.16 0.01 5.60 0.05 0.42 -0.10 116.94 124.55 1rwt h PHE 194 Ca 0.11 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.92 1rwt h PHE 194 Cb 0.43 -0.39 0.00 0.00 2.00 0.00 0.00 35.95 37.99 1rwt h PHE 194 CO 0.03 0.74 -0.00 0.74 -0.18 0.00 0.00 178.31 179.64 1rwt h PHE 195 N 1.24 -0.01 -0.26 -0.55 0.04 -0.77 -1.70 116.94 114.94 1rwt h PHE 195 Ca 0.33 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 61.04 1rwt h PHE 195 Cb -0.13 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 1rwt h PHE 195 CO -0.01 0.20 -0.10 0.28 -0.60 0.00 0.00 178.31 178.09 1rwt h VAL 196 N -0.21 1.29 -0.62 -0.55 2.07 -1.13 -2.65 116.25 114.44 1rwt h VAL 196 Ca -0.00 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 1rwt h VAL 196 Cb 0.21 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1rwt h VAL 196 CO 0.00 0.36 0.35 1.56 0.02 0.00 0.00 177.57 179.86 1rwt h GLN 197 N 0.26 0.85 -0.47 1.57 4.20 -1.05 0.93 115.11 121.40 1rwt h GLN 197 Ca 0.06 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 1rwt h GLN 197 Cb 0.59 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1rwt h GLN 197 CO 0.03 0.62 0.06 0.00 -0.67 0.00 0.00 178.83 178.87 1rwt h ALA 198 N 1.52 0.62 -0.37 3.87 0.00 -1.24 0.27 119.26 123.94 1rwt h ALA 198 Ca 0.22 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1rwt h ALA 198 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1rwt h ALA 198 CO -0.04 0.37 -0.36 0.82 0.00 0.00 0.00 179.25 180.04 1rwt h ILE 199 N 0.65 1.28 0.13 0.00 2.04 -1.06 -1.42 117.51 119.14 1rwt h ILE 199 Ca 0.14 -1.53 -0.18 0.00 1.00 0.00 0.00 64.86 64.30 1rwt h ILE 199 Cb 0.41 1.37 0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1rwt h ILE 199 CO 0.01 0.51 -0.78 0.58 0.00 0.00 0.00 178.15 178.47 1rwt h VAL 200 N 0.72 1.52 0.00 1.67 2.07 -0.70 -3.39 116.25 118.14 1rwt h VAL 200 Ca 0.07 -2.52 -0.25 0.00 0.82 0.00 0.00 66.70 64.82 1rwt h VAL 200 Cb 0.93 3.21 -0.04 0.00 -1.52 0.00 0.00 31.29 33.86 1rwt h VAL 200 CO 0.09 0.71 -1.83 0.35 0.02 0.00 0.00 177.57 176.91 1rwt n THR 201 N -4.15 1.26 -1.13 2.57 -2.24 0.94 -4.99 114.28 106.54 1rwt n THR 201 Ca -0.14 -0.75 -0.04 0.00 -2.27 0.00 0.00 64.05 60.85 1rwt n THR 201 Cb 0.80 -0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 68.33 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 1.53 0.69 3.48 3.38 0.00 -0.53 -5.00 105.19 108.73 1rwt n GLY 202 Ca -0.18 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.84 1.73 0.67 1.61 1.02 -1.26 -5.08 119.74 116.58 1rwt s LYS 203 Ca 0.00 -1.99 -0.13 0.00 0.02 0.00 0.00 55.97 53.87 1rwt s LYS 203 Cb 0.00 -0.84 0.00 0.00 -0.52 0.00 0.00 37.83 36.47 1rwt s LYS 203 CO 0.00 -0.25 1.07 0.20 -0.92 0.00 0.00 175.35 175.45 1rwt s GLY 204 N -3.53 1.88 0.15 -3.33 0.00 -1.26 -4.57 107.32 96.67 1rwt s GLY 204 Ca 0.33 0.28 -0.18 0.00 0.00 0.00 0.00 44.72 45.14 1rwt s GLY 204 CO 0.15 0.60 1.68 -2.55 0.00 0.00 0.00 173.10 172.98 1rwt h PRO 205 N -0.31 -0.02 -0.22 2.90 0.11 -1.95 -0.83 132.00 131.68 1rwt h PRO 205 Ca -0.45 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1rwt h PRO 205 Cb 1.22 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1rwt h PRO 205 CO 0.56 -0.02 -0.22 -0.07 -0.21 0.00 0.00 178.00 178.04 1rwt h LEU 206 N -0.02 0.40 -0.88 2.35 3.38 -1.95 -2.07 115.31 116.51 1rwt h LEU 206 Ca 0.16 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1rwt h LEU 206 Cb 0.26 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1rwt h LEU 206 CO -0.34 0.63 -0.23 -0.08 0.09 0.00 0.00 178.44 178.50 1rwt h GLU 207 N 0.36 0.57 -0.62 1.13 4.81 -1.77 -1.79 114.58 117.27 1rwt h GLU 207 Ca 0.06 -0.21 0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1rwt h GLU 207 Cb 0.59 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.89 1rwt h GLU 207 CO 0.04 0.76 0.35 -0.91 -0.73 0.00 0.00 179.01 178.52 1rwt h ASN 208 N 0.50 0.54 -0.47 1.04 -0.26 -0.51 -0.43 115.58 116.00 1rwt h ASN 208 Ca 0.07 0.02 -0.05 0.00 -0.56 0.00 0.00 56.30 55.78 1rwt h ASN 208 Cb 0.67 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.82 1rwt h ASN 208 CO 0.05 0.37 0.10 0.25 -1.06 0.00 0.00 177.43 177.13 1rwt h LEU 209 N 0.67 0.72 -0.68 1.61 5.85 -0.90 -0.93 115.31 121.64 1rwt h LEU 209 Ca 0.26 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1rwt h LEU 209 Cb 0.11 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1rwt h LEU 209 CO -0.15 0.78 0.24 0.00 -0.34 0.00 0.00 178.44 178.97 1rwt h ALA 210 N 0.97 0.89 -0.24 1.25 0.00 -0.97 -0.63 119.26 120.54 1rwt h ALA 210 Ca 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1rwt h ALA 210 Cb 0.35 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1rwt h ALA 210 CO 0.00 0.54 0.08 -0.44 0.00 0.00 0.00 179.25 179.43 1rwt h ASP 211 N 0.98 0.34 -0.01 0.00 3.32 -0.87 -1.43 116.42 118.75 1rwt h ASP 211 Ca 0.22 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 57.10 1rwt h ASP 211 Cb 0.26 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1rwt h ASP 211 CO -0.01 0.44 -0.15 -0.74 -1.72 0.00 0.00 179.24 177.06 1rwt h HIS 212 N 0.22 -0.40 0.00 4.55 2.76 -0.96 -1.04 115.15 120.28 1rwt h HIS 212 Ca 0.08 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1rwt h HIS 212 Cb 0.22 0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.36 1rwt h HIS 212 CO 0.00 -0.23 -0.00 -0.07 -1.30 0.00 0.00 177.93 176.33 1rwt h LEU 213 N -0.25 0.00 -0.50 0.26 3.38 -0.96 0.15 115.31 117.39 1rwt h LEU 213 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1rwt h LEU 213 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1rwt h LEU 213 CO -0.16 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.37 1rwt h ALA 214 N 2.00 1.00 -0.07 1.53 0.00 -0.06 -3.40 119.26 120.25 1rwt h ALA 214 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1rwt h ALA 214 Cb 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.65 1rwt h ALA 214 CO 0.00 0.00 -0.07 -3.47 0.00 0.00 0.00 179.25 175.71 1rwt n ASP 215 N -2.62 -1.20 -0.29 0.00 -0.08 -0.20 -5.06 116.55 107.10 1rwt n ASP 215 Ca 0.03 -0.82 0.11 0.00 -1.51 0.00 0.00 54.79 52.60 1rwt n ASP 215 Cb 0.37 0.61 0.25 0.00 2.34 0.00 0.00 41.12 44.69 1rwt n ASP 215 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1rwt h PRO 216 N 3.96 0.20 -0.02 -0.67 0.11 -1.03 0.48 132.00 135.04 1rwt h PRO 216 Ca -0.04 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.93 1rwt h PRO 216 Cb 1.18 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1rwt h PRO 216 CO -0.14 0.14 -0.58 0.28 -0.21 0.00 0.00 178.00 177.48 1rwt h VAL 217 N 0.21 1.41 0.00 3.15 2.07 -1.97 -3.31 116.25 117.81 1rwt h VAL 217 Ca 0.51 -1.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.02 1rwt h VAL 217 Cb 0.98 2.05 -0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1rwt h VAL 217 CO -0.63 0.57 -1.97 0.59 0.02 0.00 0.00 177.57 176.16 1rwt n ASN 218 N -3.86 0.31 -4.03 0.57 3.02 -0.71 -4.70 115.26 105.87 1rwt n ASN 218 Ca -0.02 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.18 1rwt n ASN 218 Cb 0.59 1.87 -0.06 0.00 -0.61 0.00 0.00 39.78 41.57 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 -2.25 4.39 -3.30 6.41 4.13 0.16 -4.75 115.26 120.05 1rwt n ASN 219 Ca -0.06 -3.19 -0.14 0.00 1.68 0.00 0.00 54.58 52.87 1rwt n ASN 219 Cb 0.58 -1.04 -0.04 0.00 -1.54 0.00 0.00 39.78 37.74 1rwt n ASN 219 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1rwt s ASN 220 N -0.55 0.77 0.41 6.41 2.20 -1.26 -4.11 114.94 118.81 1rwt s ASN 220 Ca 0.29 -1.42 0.18 0.00 -0.94 0.00 0.00 52.86 50.98 1rwt s ASN 220 Cb -0.04 0.66 1.10 0.00 -2.00 0.00 0.00 41.25 40.98 1rwt s ASN 220 CO -0.09 -1.30 1.81 0.00 -2.94 0.00 0.00 177.10 174.58 1rwt h ALA 221 N 2.12 2.24 0.00 3.54 0.00 -1.95 -0.44 119.26 124.77 1rwt h ALA 221 Ca -0.28 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1rwt h ALA 221 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1rwt h ALA 221 CO 0.39 -0.58 0.12 -1.49 0.00 0.00 0.00 179.25 177.69 1rwt h TRP 222 N 0.40 0.00 0.00 0.00 4.06 -1.97 0.96 115.95 119.41 1rwt h TRP 222 Ca 0.54 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.47 1rwt h TRP 222 Cb 1.36 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.52 1rwt h TRP 222 CO -0.00 0.00 -0.07 -0.97 -3.56 0.00 0.00 178.44 173.83 1rwt h ASN 223 N 0.00 0.00 -0.16 -3.49 -0.00 -1.36 -2.82 115.58 107.74 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 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.57 1rwt h ASN 223 CO 0.00 0.07 0.00 0.49 -0.00 0.00 0.00 177.43 177.99 1rwt n PHE 224 N -3.31 0.21 0.16 0.67 3.01 0.33 -4.71 117.46 113.82 1rwt n PHE 224 Ca -0.01 -0.26 0.07 0.00 1.01 0.00 0.00 57.45 58.25 1rwt n PHE 224 Cb 0.26 -0.02 0.36 0.00 -0.01 0.00 0.00 39.48 40.08 1rwt n PHE 224 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1rwt n ALA 225 N 0.45 0.64 -1.10 4.37 0.00 -1.07 -1.49 120.51 122.31 1rwt n ALA 225 Ca 0.08 0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.73 1rwt n ALA 225 Cb 0.32 -0.81 0.12 0.00 0.00 0.00 0.00 19.45 19.08 1rwt n ALA 225 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rwt n THR 226 N -2.05 1.65 1.35 0.00 -2.24 -1.26 -4.71 114.28 107.02 1rwt n THR 226 Ca -0.01 -1.97 0.14 0.00 -2.27 0.00 0.00 64.05 59.94 1rwt n THR 226 Cb 0.30 -0.12 0.56 0.00 -2.10 0.00 0.00 70.33 68.97 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 -1.24 0.56 -2.12 3.42 3.02 -0.55 -4.01 115.26 114.33 1rwt n ASN 227 Ca 0.14 -0.60 -0.10 0.00 -0.03 0.00 0.00 54.58 53.99 1rwt n ASN 227 Cb 0.62 -0.04 0.05 0.00 -0.61 0.00 0.00 39.78 39.81 1rwt n ASN 227 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1rwt n PHE 228 N -0.92 1.69 -2.71 3.10 3.01 -1.26 -5.06 117.46 115.30 1rwt n PHE 228 Ca 0.14 -1.97 -0.42 0.00 1.01 0.00 0.00 57.45 56.21 1rwt n PHE 228 Cb 0.29 -0.27 -0.03 0.00 -0.01 0.00 0.00 39.48 39.46 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 -3.78 4.86 0.21 -4.37 1.01 -1.26 -4.98 120.40 112.09 1rwt s VAL 229 Ca 0.40 2.05 -0.30 0.00 0.00 0.00 0.00 61.98 64.12 1rwt s VAL 229 Cb 0.37 -4.31 -0.16 0.00 0.00 0.00 0.00 36.38 32.28 1rwt s VAL 229 CO -0.02 0.14 0.93 -2.65 0.00 0.00 0.00 175.10 173.51 1rwt n PRO 230 N 4.02 0.84 0.00 2.72 -0.02 -1.26 -5.19 135.00 136.10 1rwt n PRO 230 Ca 0.06 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1rwt n PRO 230 Cb 0.51 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 1rwt n PRO 230 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89