#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hwo n ASP 2 N 0.00 4.51 -4.65 4.38 10.43 -1.26 -4.97 116.55 124.98 1hwo n ASP 2 Ca 0.00 -2.86 -0.40 0.00 2.57 0.00 0.00 54.79 54.09 1hwo n ASP 2 Cb 0.00 -1.62 0.02 0.00 1.84 0.00 0.00 41.12 41.36 1hwo n ASP 2 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1hwo n TYR 3 N 5.51 1.57 -0.58 1.24 4.01 -1.26 -4.95 117.16 122.70 1hwo n TYR 3 Ca 0.53 0.51 -0.30 0.00 -0.16 0.00 0.00 57.90 58.48 1hwo n TYR 3 Cb 0.37 -2.28 0.21 0.00 -0.31 0.00 0.00 39.34 37.33 1hwo n TYR 3 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1hwo n PRO 4 N -0.14 -1.58 -3.54 -0.72 -0.04 -1.26 -4.70 135.00 123.02 1hwo n PRO 4 Ca 0.09 -0.42 -0.15 0.00 -0.04 0.00 0.00 63.50 62.98 1hwo n PRO 4 Cb 0.41 -2.19 -0.05 0.00 -0.04 0.00 0.00 33.50 31.62 1hwo n PRO 4 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1hwo s SER 5 N -2.42 -0.55 0.25 3.54 1.04 -1.26 -1.45 113.70 112.85 1hwo s SER 5 Ca 0.66 0.40 0.11 0.00 0.48 0.00 0.00 55.95 57.60 1hwo s SER 5 Cb -0.23 0.52 -0.05 0.00 0.10 0.00 0.00 66.02 66.36 1hwo s SER 5 CO 0.63 -0.69 -0.17 0.68 0.98 0.00 0.00 173.24 174.67 1hwo s VAL 6 N -1.98 2.66 0.21 5.02 -7.23 -0.78 -4.99 120.40 113.30 1hwo s VAL 6 Ca -0.08 -2.19 0.09 0.00 -1.81 0.00 0.00 61.98 57.99 1hwo s VAL 6 Cb -0.01 -2.37 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 1hwo s VAL 6 CO 0.02 -0.31 -0.16 -0.44 -0.31 0.00 0.00 175.10 173.90 1hwo s SER 7 N -3.30 2.77 -0.32 4.85 0.01 -1.26 0.31 113.70 116.77 1hwo s SER 7 Ca 0.28 -1.00 0.05 0.00 1.31 0.00 0.00 55.95 56.60 1hwo s SER 7 Cb -0.06 -0.17 0.19 0.00 0.21 0.00 0.00 66.02 66.19 1hwo s SER 7 CO 0.15 -0.11 0.63 0.12 0.41 0.00 0.00 173.24 174.44 1hwo s PHE 8 N -2.74 -1.74 -0.33 2.43 5.36 0.26 -4.88 117.98 116.34 1hwo s PHE 8 Ca 0.23 0.80 -0.21 0.00 -0.96 0.00 0.00 56.93 56.79 1hwo s PHE 8 Cb -0.02 0.30 -0.00 0.00 -0.34 0.00 0.00 43.02 42.96 1hwo s PHE 8 CO 0.08 -1.06 0.65 1.21 -1.46 0.00 0.00 175.22 174.64 1hwo s ASN 9 N 2.55 6.48 0.41 6.13 3.84 -1.26 -2.00 114.94 131.10 1hwo s ASN 9 Ca 0.13 0.33 0.15 0.00 0.21 0.00 0.00 52.86 53.67 1hwo s ASN 9 Cb -0.08 -2.34 1.01 0.00 -0.55 0.00 0.00 41.25 39.29 1hwo s ASN 9 CO -0.20 -0.54 1.90 -0.07 -2.79 0.00 0.00 177.10 175.39 1hwo h LEU 10 N 9.29 0.45 -9.68 3.21 3.38 -0.96 -3.34 115.31 117.66 1hwo h LEU 10 Ca -0.26 0.03 -0.53 0.00 0.09 0.00 0.00 57.88 57.21 1hwo h LEU 10 Cb 1.11 -0.06 0.05 0.00 0.09 0.00 0.00 40.66 41.85 1hwo h LEU 10 CO 0.83 0.22 0.82 0.00 0.09 0.00 0.00 178.44 180.40 1hwo s ALA 11 N -5.47 3.70 -1.35 1.53 0.00 -1.26 -2.24 121.76 116.67 1hwo s ALA 11 Ca -0.08 1.36 -0.09 0.00 0.00 0.00 0.00 51.96 53.15 1hwo s ALA 11 Cb 0.22 -3.59 0.06 0.00 0.00 0.00 0.00 23.12 19.80 1hwo s ALA 11 CO 0.77 -0.77 0.54 0.41 0.00 0.00 0.00 175.76 176.71 1hwo n GLY 12 N 2.94 -0.49 3.69 0.00 0.00 -1.26 -4.93 105.19 105.13 1hwo n GLY 12 Ca 0.10 0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1hwo n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hwo s ALA 13 N -3.00 3.50 0.41 4.61 0.00 -0.95 -5.08 121.76 121.26 1hwo s ALA 13 Ca 0.40 -0.73 0.07 0.00 0.00 0.00 0.00 51.96 51.71 1hwo s ALA 13 Cb -0.20 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 1hwo s ALA 13 CO 0.49 0.29 0.28 0.15 0.00 0.00 0.00 175.76 176.97 1hwo s LYS 14 N 0.00 2.38 0.23 0.00 1.02 -1.26 -5.00 119.74 117.12 1hwo s LYS 14 Ca 0.07 -1.68 -0.06 0.00 0.02 0.00 0.00 55.97 54.31 1hwo s LYS 14 Cb -0.12 -2.18 0.37 0.00 -0.52 0.00 0.00 37.83 35.37 1hwo s LYS 14 CO 0.01 -0.15 1.75 0.66 -0.92 0.00 0.00 175.35 176.70 1hwo h SER 15 N 1.23 0.35 -0.18 2.83 4.64 -1.90 -1.12 113.55 119.40 1hwo h SER 15 Ca -0.42 0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 60.91 1hwo h SER 15 Cb 1.26 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.37 1hwo h SER 15 CO 0.64 0.18 -0.12 0.00 -0.87 0.00 0.00 176.83 176.66 1hwo h THR 16 N 0.50 1.24 0.00 2.95 1.03 -1.95 -1.50 112.91 115.17 1hwo h THR 16 Ca 0.36 -1.04 -0.03 0.00 -0.01 0.00 0.00 66.41 65.69 1hwo h THR 16 Cb 0.46 1.12 -0.00 0.00 -1.07 0.00 0.00 68.15 68.66 1hwo h THR 16 CO -0.32 0.34 -0.14 0.00 -0.01 0.00 0.00 175.52 175.39 1hwo h THR 17 N 0.50 0.69 0.05 0.00 1.03 -1.61 -1.03 112.91 112.55 1hwo h THR 17 Ca 0.09 -0.59 -0.13 0.00 -0.01 0.00 0.00 66.41 65.77 1hwo h THR 17 Cb 0.51 1.37 -0.00 0.00 -1.07 0.00 0.00 68.15 68.95 1hwo h THR 17 CO 0.03 0.14 -0.65 0.22 -0.01 0.00 0.00 175.52 175.25 1hwo h TYR 18 N 0.00 0.20 -0.30 0.00 3.20 -0.99 -3.07 116.97 116.01 1hwo h TYR 18 Ca -0.00 -0.15 0.05 0.00 3.14 0.00 0.00 58.73 61.77 1hwo h TYR 18 Cb 0.35 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.57 1hwo h TYR 18 CO 0.00 1.25 0.01 -0.09 -1.64 0.00 0.00 178.16 177.69 1hwo h ARG 19 N -0.73 0.10 -0.71 1.82 1.12 -1.05 -1.50 114.38 113.42 1hwo h ARG 19 Ca -0.14 -0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 58.71 1hwo h ARG 19 Cb 1.33 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 31.24 1hwo h ARG 19 CO 0.01 0.06 0.41 -0.44 -3.11 0.00 0.00 179.97 176.91 1hwo h ASP 20 N 0.10 0.85 0.13 -3.80 3.32 -1.34 -1.70 116.42 113.98 1hwo h ASP 20 Ca 0.15 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1hwo h ASP 20 Cb 0.19 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1hwo h ASP 20 CO -0.24 0.67 -0.11 0.15 -1.72 0.00 0.00 179.24 177.99 1hwo h PHE 21 N 0.98 -0.29 -0.86 4.55 3.57 -1.20 -1.21 116.94 122.48 1hwo h PHE 21 Ca 0.25 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1hwo h PHE 21 Cb -0.02 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 1hwo h PHE 21 CO 0.00 -0.18 0.54 -0.07 -2.23 0.00 0.00 178.31 176.38 1hwo h LEU 22 N -0.26 1.01 -0.31 0.59 3.38 -1.09 -1.43 115.31 117.20 1hwo h LEU 22 Ca -0.00 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.96 1hwo h LEU 22 Cb 0.24 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1hwo h LEU 22 CO -0.02 0.76 0.09 0.50 0.09 0.00 0.00 178.44 179.86 1hwo h LYS 23 N 1.18 0.21 -0.76 1.13 3.11 -0.82 0.18 116.57 120.80 1hwo h LYS 23 Ca 0.31 -0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 58.09 1hwo h LYS 23 Cb -0.09 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.06 1hwo h LYS 23 CO -0.06 0.14 0.27 -0.91 -2.81 0.00 0.00 179.45 176.08 1hwo h ASN 24 N 0.22 1.07 0.22 4.20 4.21 -0.72 -0.75 115.58 124.03 1hwo h ASN 24 Ca 0.14 -0.18 -0.03 0.00 1.21 0.00 0.00 56.30 57.44 1hwo h ASN 24 Cb 0.12 -0.28 -0.00 0.00 -1.12 0.00 0.00 38.32 37.04 1hwo h ASN 24 CO -0.15 0.96 -0.16 0.25 -1.29 0.00 0.00 177.43 177.04 1hwo h LEU 25 N 1.11 0.00 0.15 1.61 5.85 -0.56 -2.61 115.31 120.86 1hwo h LEU 25 Ca 0.25 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.74 1hwo h LEU 25 Cb 0.26 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.31 1hwo h LEU 25 CO -0.02 0.16 -0.97 0.03 -0.34 0.00 0.00 178.44 177.30 1hwo h ARG 26 N 0.00 0.40 0.00 1.25 3.08 -0.09 -3.22 114.38 115.79 1hwo h ARG 26 Ca -0.00 -0.63 0.00 0.00 0.07 0.00 0.00 59.98 59.42 1hwo h ARG 26 Cb 0.31 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1hwo h ARG 26 CO 0.02 1.28 0.06 -0.25 -1.07 0.00 0.00 179.97 180.02 1hwo n ASP 27 N -4.02 0.28 -0.01 7.04 9.92 -0.37 -0.59 116.55 128.80 1hwo n ASP 27 Ca -0.14 0.60 -0.01 0.00 -0.53 0.00 0.00 54.79 54.71 1hwo n ASP 27 Cb 0.88 -0.62 -0.00 0.00 -0.64 0.00 0.00 41.12 40.74 1hwo n ASP 27 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1hwo n ARG 28 N -1.87 0.05 0.32 -1.24 5.12 -1.17 -4.48 116.66 113.39 1hwo n ARG 28 Ca -0.01 0.14 0.19 0.00 -1.93 0.00 0.00 57.85 56.25 1hwo n ARG 28 Cb 0.08 -0.71 1.07 0.00 -1.16 0.00 0.00 32.46 31.73 1hwo n ARG 28 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 1hwo h VAL 29 N -0.10 0.24 -3.56 1.55 -1.51 -1.56 -3.31 116.25 108.00 1hwo h VAL 29 Ca 0.00 -0.03 -0.80 0.00 -1.23 0.00 0.00 66.70 64.64 1hwo h VAL 29 Cb 0.07 1.03 -0.28 0.00 -2.13 0.00 0.00 31.29 29.98 1hwo h VAL 29 CO 0.00 0.01 0.43 0.00 -1.23 0.00 0.00 177.57 176.78 1hwo s ALA 30 N -4.34 4.72 0.08 5.19 0.00 0.24 -4.65 121.76 123.00 1hwo s ALA 30 Ca -0.05 -3.84 0.00 0.00 0.00 0.00 0.00 51.96 48.08 1hwo s ALA 30 Cb 0.14 -3.55 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 1hwo s ALA 30 CO 0.48 -2.20 0.01 2.41 0.00 0.00 0.00 175.76 176.46 1hwo n THR 31 N 2.71 0.00 -0.28 0.00 -1.04 -1.25 -4.70 114.28 109.71 1hwo n THR 31 Ca 0.24 -0.42 0.01 0.00 -2.04 0.00 0.00 64.05 61.83 1hwo n THR 31 Cb 0.39 0.12 -0.00 0.00 -1.82 0.00 0.00 70.33 69.02 1hwo n THR 31 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hwo n GLY 32 N 2.87 -2.97 0.98 3.41 0.00 -1.26 -4.69 105.19 103.54 1hwo n GLY 32 Ca -0.02 -1.25 0.07 0.00 0.00 0.00 0.00 46.02 44.81 1hwo n GLY 32 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1hwo n THR 33 N -1.86 0.91 -2.80 2.61 -1.04 -1.26 -4.76 114.28 106.09 1hwo n THR 33 Ca -0.00 -0.68 -0.43 0.00 -2.04 0.00 0.00 64.05 60.90 1hwo n THR 33 Cb 0.10 0.13 -0.03 0.00 -1.82 0.00 0.00 70.33 68.70 1hwo n THR 33 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1hwo s TYR 34 N -1.58 2.90 0.06 -1.42 6.04 -1.26 -4.94 117.35 117.15 1hwo s TYR 34 Ca 0.31 -1.17 -0.02 0.00 0.04 0.00 0.00 57.07 56.23 1hwo s TYR 34 Cb 0.19 -4.43 -0.03 0.00 -1.04 0.00 0.00 41.96 36.64 1hwo s TYR 34 CO 0.18 -1.65 0.00 -1.83 -1.54 0.00 0.00 175.55 170.71 1hwo s GLU 35 N 3.53 0.65 -0.02 4.97 -1.05 -1.26 -1.35 118.70 124.16 1hwo s GLU 35 Ca 0.37 -1.19 0.03 0.00 -0.15 0.00 0.00 54.97 54.03 1hwo s GLU 35 Cb -0.03 0.23 -0.00 0.00 -0.44 0.00 0.00 34.13 33.89 1hwo s GLU 35 CO -0.09 -0.14 -0.10 0.14 0.95 0.00 0.00 175.26 176.02 1hwo s VAL 36 N -3.92 0.87 -1.55 1.83 -7.23 -0.29 -4.75 120.40 105.37 1hwo s VAL 36 Ca 0.07 -0.43 0.00 0.00 -1.81 0.00 0.00 61.98 59.82 1hwo s VAL 36 Cb 0.08 -0.76 0.00 0.00 0.56 0.00 0.00 36.38 36.25 1hwo s VAL 36 CO -0.10 0.26 0.00 0.59 -0.31 0.00 0.00 175.10 175.55 1hwo n ASN 37 N 3.15 -4.20 0.00 4.85 3.02 -1.26 -1.14 115.26 119.68 1hwo n ASN 37 Ca -0.17 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 1hwo n ASN 37 Cb 0.55 -3.76 0.00 0.00 -0.61 0.00 0.00 39.78 35.96 1hwo n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hwo n GLY 38 N -0.44 3.00 3.70 7.41 0.00 -1.26 -5.03 105.19 112.58 1hwo n GLY 38 Ca -0.16 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1hwo n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hwo s LEU 39 N 0.00 4.33 0.69 0.99 1.43 -0.29 -5.00 118.68 120.83 1hwo s LEU 39 Ca 0.00 1.97 -0.12 0.00 -1.03 0.00 0.00 54.13 54.95 1hwo s LEU 39 Cb 0.00 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.66 1hwo s LEU 39 CO 0.00 -0.55 1.07 -2.16 0.23 0.00 0.00 176.35 174.95 1hwo s PRO 40 N 1.62 2.80 -0.26 1.29 0.04 -1.26 -1.13 135.00 138.10 1hwo s PRO 40 Ca 0.59 1.11 0.03 0.00 0.04 0.00 0.00 61.00 62.76 1hwo s PRO 40 Cb -0.28 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.35 1hwo s PRO 40 CO 0.26 -1.22 -0.09 0.08 0.04 0.00 0.00 177.00 176.08 1hwo s VAL 41 N -2.82 2.02 0.14 -0.36 1.01 -0.46 -1.29 120.40 118.65 1hwo s VAL 41 Ca 0.61 -1.58 -0.33 0.00 0.00 0.00 0.00 61.98 60.67 1hwo s VAL 41 Cb -0.16 -2.19 -0.17 0.00 0.00 0.00 0.00 36.38 33.86 1hwo s VAL 41 CO 0.50 -0.08 0.92 0.18 0.00 0.00 0.00 175.10 176.62 1hwo n LEU 42 N 4.48 0.19 0.00 3.92 4.77 -0.02 -4.82 117.00 125.52 1hwo n LEU 42 Ca -0.12 1.15 -0.19 0.00 -0.03 0.00 0.00 56.01 56.81 1hwo n LEU 42 Cb 0.42 -1.05 0.18 0.00 -2.33 0.00 0.00 43.42 40.65 1hwo n LEU 42 CO 0.20 -2.03 0.21 0.54 -1.33 0.00 0.00 177.39 174.98 1hwo n ARG 43 N 1.39 -3.44 -4.30 3.23 1.74 -1.26 -4.02 116.66 110.01 1hwo n ARG 43 Ca 0.17 -0.89 -0.16 0.00 -0.77 0.00 0.00 57.85 56.20 1hwo n ARG 43 Cb 0.20 -1.22 -0.10 0.00 -1.02 0.00 0.00 32.46 30.32 1hwo n ARG 43 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1hwo s ARG 44 N -4.12 1.19 0.25 5.56 1.70 -1.26 -4.73 118.95 117.55 1hwo s ARG 44 Ca 0.41 -1.53 0.00 0.00 -0.47 0.00 0.00 55.73 54.14 1hwo s ARG 44 Cb -0.07 -0.80 0.59 0.00 -0.57 0.00 0.00 34.95 34.09 1hwo s ARG 44 CO 0.34 0.09 1.30 0.39 -1.08 0.00 0.00 175.30 176.34 1hwo n GLU 45 N -0.29 -0.07 0.07 3.89 4.71 -1.26 -0.99 120.64 126.69 1hwo n GLU 45 Ca -0.09 1.25 -0.13 0.00 -0.01 0.00 0.00 57.16 58.19 1hwo n GLU 45 Cb 0.61 -1.97 -0.08 0.00 -1.01 0.00 0.00 31.44 28.99 1hwo n GLU 45 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 1hwo h SER 46 N 0.00 -0.11 -0.71 1.62 0.02 -2.04 -3.26 113.55 109.07 1hwo h SER 46 Ca 0.48 -0.19 -0.53 0.00 -0.84 0.00 0.00 61.79 60.72 1hwo h SER 46 Cb 0.96 0.03 -0.11 0.00 0.14 0.00 0.00 62.40 63.42 1hwo h SER 46 CO -0.79 0.12 1.32 -1.84 -1.14 0.00 0.00 176.83 174.50 1hwo n GLU 47 N -5.05 3.14 -3.64 3.45 0.28 -0.16 -4.80 120.64 113.86 1hwo n GLU 47 Ca -0.08 -2.36 -0.03 0.00 -0.16 0.00 0.00 57.16 54.52 1hwo n GLU 47 Cb 0.17 -2.35 -0.07 0.00 1.43 0.00 0.00 31.44 30.62 1hwo n GLU 47 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1hwo s VAL 48 N -0.61 -0.01 0.30 3.84 0.11 -1.21 -4.41 120.40 118.40 1hwo s VAL 48 Ca 0.61 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.66 1hwo s VAL 48 Cb 0.28 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 1hwo s VAL 48 CO -0.12 0.00 0.50 -1.58 -3.33 0.00 0.00 175.10 170.57 1hwo s GLN 49 N 1.41 3.51 0.48 1.54 0.74 -1.26 -4.93 119.66 121.14 1hwo s GLN 49 Ca -0.09 -0.33 0.16 0.00 0.05 0.00 0.00 55.36 55.15 1hwo s GLN 49 Cb -0.04 -2.72 1.14 0.00 1.10 0.00 0.00 33.01 32.49 1hwo s GLN 49 CO -0.16 0.23 2.05 -0.39 -0.55 0.00 0.00 175.29 176.48 1hwo h VAL 50 N 1.03 1.04 0.00 1.34 -1.51 -1.97 0.25 116.25 116.43 1hwo h VAL 50 Ca -0.49 -0.41 -0.00 0.00 -1.23 0.00 0.00 66.70 64.57 1hwo h VAL 50 Cb 1.21 1.22 -0.00 0.00 -2.13 0.00 0.00 31.29 31.59 1hwo h VAL 50 CO 0.63 0.12 -0.01 0.50 -1.23 0.00 0.00 177.57 177.58 1hwo h LYS 51 N 0.00 0.00 0.00 5.19 3.64 -1.98 -1.90 116.57 121.52 1hwo h LYS 51 Ca -0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1hwo h LYS 51 Cb 0.21 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 31.89 1hwo h LYS 51 CO 0.02 0.01 -0.62 0.27 -2.27 0.00 0.00 179.45 176.85 1hwo n ASN 52 N -3.68 1.11 0.12 4.20 0.23 -0.54 -4.82 115.26 111.87 1hwo n ASN 52 Ca -0.03 -2.59 -0.03 0.00 -0.53 0.00 0.00 54.58 51.41 1hwo n ASN 52 Cb 0.09 -0.34 0.10 0.00 -2.08 0.00 0.00 39.78 37.55 1hwo n ASN 52 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 1hwo h ARG 53 N 0.59 0.02 -5.01 -3.83 9.65 0.30 -3.45 114.38 112.66 1hwo h ARG 53 Ca -0.09 -0.02 -0.32 0.00 -1.10 0.00 0.00 59.98 58.46 1hwo h ARG 53 Cb 1.44 0.00 -0.17 0.00 -1.39 0.00 0.00 29.97 29.85 1hwo h ARG 53 CO 0.04 0.72 -0.73 -0.06 2.80 0.00 0.00 179.97 182.74 1hwo s PHE 54 N -3.41 1.14 0.10 2.20 0.40 -1.26 -2.79 117.98 114.36 1hwo s PHE 54 Ca -0.01 -0.70 0.08 0.00 -0.60 0.00 0.00 56.93 55.70 1hwo s PHE 54 Cb 0.12 -0.61 -0.04 0.00 0.51 0.00 0.00 43.02 43.01 1hwo s PHE 54 CO 0.78 0.03 -0.21 0.08 0.70 0.00 0.00 175.22 176.59 1hwo s VAL 55 N -2.78 1.75 -0.11 -0.44 1.01 -0.36 -4.59 120.40 114.87 1hwo s VAL 55 Ca 0.10 -1.56 -0.01 0.00 0.00 0.00 0.00 61.98 60.50 1hwo s VAL 55 Cb -0.01 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1hwo s VAL 55 CO 0.00 -0.05 -0.06 -0.76 0.00 0.00 0.00 175.10 174.23 1hwo s LEU 56 N -1.93 3.17 -0.16 3.92 1.43 -0.53 0.11 118.68 124.70 1hwo s LEU 56 Ca 0.07 -0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1hwo s LEU 56 Cb -0.10 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 1hwo s LEU 56 CO 0.04 0.26 -0.03 -0.69 0.23 0.00 0.00 176.35 176.16 1hwo s VAL 57 N -0.18 3.95 -0.23 -1.59 1.01 -0.11 -1.87 120.40 121.38 1hwo s VAL 57 Ca 0.03 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1hwo s VAL 57 Cb -0.13 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.52 1hwo s VAL 57 CO 0.03 0.49 -0.04 -0.13 0.00 0.00 0.00 175.10 175.45 1hwo s ARG 58 N 0.34 3.18 -0.23 2.72 0.52 0.15 -1.01 118.95 124.62 1hwo s ARG 58 Ca -0.04 -0.76 0.02 0.00 -0.52 0.00 0.00 55.73 54.44 1hwo s ARG 58 Cb -0.14 -3.02 0.05 0.00 0.52 0.00 0.00 34.95 32.36 1hwo s ARG 58 CO 0.03 -0.28 -0.11 -0.51 0.02 0.00 0.00 175.30 174.45 1hwo s LEU 59 N 1.43 2.78 -0.27 2.53 1.43 -0.38 -0.57 118.68 125.62 1hwo s LEU 59 Ca 0.04 -1.12 -0.16 0.00 -1.03 0.00 0.00 54.13 51.86 1hwo s LEU 59 Cb -0.15 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 1hwo s LEU 59 CO -0.03 -0.16 0.44 -0.89 0.23 0.00 0.00 176.35 175.93 1hwo s THR 60 N 1.27 5.12 0.96 5.49 2.01 -0.84 -0.73 115.64 128.91 1hwo s THR 60 Ca -0.04 0.68 -0.13 0.00 0.31 0.00 0.00 61.69 62.50 1hwo s THR 60 Cb -0.18 -3.77 0.17 0.00 0.01 0.00 0.00 72.50 68.72 1hwo s THR 60 CO -0.07 0.10 1.14 0.54 -0.69 0.00 0.00 174.62 175.64 1hwo s ASN 61 N 1.61 3.07 0.21 3.53 4.22 -0.35 -0.36 114.94 126.87 1hwo s ASN 61 Ca 0.18 0.89 -0.10 0.00 -2.14 0.00 0.00 52.86 51.68 1hwo s ASN 61 Cb -0.16 -1.39 0.29 0.00 1.28 0.00 0.00 41.25 41.27 1hwo s ASN 61 CO 0.10 -2.82 1.68 1.88 -2.04 0.00 0.00 177.10 175.90 1hwo h TYR 62 N -1.68 0.06 0.00 1.54 0.99 -1.91 0.90 116.97 116.87 1hwo h TYR 62 Ca -0.50 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.27 1hwo h TYR 62 Cb 1.32 0.07 0.00 0.00 1.00 0.00 0.00 36.73 39.12 1hwo h TYR 62 CO -0.10 -0.11 0.00 -1.71 -0.00 0.00 0.00 178.16 176.24 1hwo n ASN 63 N -5.22 0.88 0.00 3.88 5.15 -1.26 -4.77 115.26 113.92 1hwo n ASN 63 Ca 0.09 -1.62 0.00 0.00 -0.60 0.00 0.00 54.58 52.45 1hwo n ASN 63 Cb 0.34 -0.41 0.00 0.00 -0.53 0.00 0.00 39.78 39.19 1hwo n ASN 63 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1hwo n GLY 64 N 0.11 2.20 3.53 8.20 0.00 0.31 -4.93 105.19 114.62 1hwo n GLY 64 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1hwo n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hwo n ASP 65 N 0.74 2.61 -4.64 1.61 9.92 -1.26 -4.37 116.55 121.16 1hwo n ASP 65 Ca 0.00 0.15 -0.35 0.00 -0.53 0.00 0.00 54.79 54.07 1hwo n ASP 65 Cb 0.00 -1.44 -0.10 0.00 -0.64 0.00 0.00 41.12 38.94 1hwo n ASP 65 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1hwo s THR 66 N 8.66 4.36 0.08 -3.53 -1.32 -1.26 -1.21 115.64 121.43 1hwo s THR 66 Ca 1.05 -0.21 0.07 0.00 -1.21 0.00 0.00 61.69 61.39 1hwo s THR 66 Cb -0.52 -2.88 -0.04 0.00 -1.51 0.00 0.00 72.50 67.56 1hwo s THR 66 CO 0.39 0.56 -0.15 -0.69 -2.21 0.00 0.00 174.62 172.52 1hwo s VAL 67 N -0.39 3.04 -0.06 5.08 1.01 0.09 -4.92 120.40 124.25 1hwo s VAL 67 Ca 0.08 -1.27 0.06 0.00 0.00 0.00 0.00 61.98 60.84 1hwo s VAL 67 Cb -0.12 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 1hwo s VAL 67 CO 0.02 0.20 -0.23 0.42 0.00 0.00 0.00 175.10 175.51 1hwo s THR 68 N -1.08 1.91 -0.12 3.92 -4.23 -1.20 -1.25 115.64 113.59 1hwo s THR 68 Ca 0.18 -0.98 0.01 0.00 -1.18 0.00 0.00 61.69 59.72 1hwo s THR 68 Cb -0.11 -1.62 0.02 0.00 1.34 0.00 0.00 72.50 72.13 1hwo s THR 68 CO 0.09 0.53 -0.14 -0.44 -0.54 0.00 0.00 174.62 174.13 1hwo s SER 69 N -0.07 2.41 -0.06 3.99 0.01 -0.18 -0.36 113.70 119.45 1hwo s SER 69 Ca -0.05 -0.41 -0.25 0.00 1.31 0.00 0.00 55.95 56.55 1hwo s SER 69 Cb -0.14 -1.05 -0.03 0.00 0.21 0.00 0.00 66.02 65.01 1hwo s SER 69 CO 0.04 -0.02 0.77 0.00 0.41 0.00 0.00 173.24 174.43 1hwo s ALA 70 N 1.19 3.30 0.10 1.44 0.00 0.98 -0.93 121.76 127.85 1hwo s ALA 70 Ca -0.03 0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.18 1hwo s ALA 70 Cb -0.14 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 1hwo s ALA 70 CO -0.04 -0.15 0.15 0.14 0.00 0.00 0.00 175.76 175.86 1hwo s VAL 71 N 0.90 4.85 -0.37 0.00 -7.23 0.12 -0.34 120.40 118.32 1hwo s VAL 71 Ca 0.41 -0.73 -0.24 0.00 -1.81 0.00 0.00 61.98 59.61 1hwo s VAL 71 Cb -0.18 -3.40 0.01 0.00 0.56 0.00 0.00 36.38 33.37 1hwo s VAL 71 CO 0.20 0.05 0.82 -0.62 -0.31 0.00 0.00 175.10 175.24 1hwo s ASP 72 N -2.70 6.58 0.25 4.85 -1.08 0.17 -1.23 116.67 123.51 1hwo s ASP 72 Ca 0.32 0.38 0.13 0.00 -0.52 0.00 0.00 52.55 52.86 1hwo s ASP 72 Cb -0.12 -2.41 0.73 0.00 -1.46 0.00 0.00 42.92 39.65 1hwo s ASP 72 CO 0.25 -0.78 1.34 0.52 0.52 0.00 0.00 175.17 177.02 1hwo n VAL 73 N 5.88 0.98 0.00 1.11 0.31 -1.12 0.64 118.33 126.13 1hwo n VAL 73 Ca 0.04 0.69 0.10 0.00 -0.01 0.00 0.00 64.34 65.16 1hwo n VAL 73 Cb 0.48 -1.69 0.28 0.00 -0.91 0.00 0.00 33.84 32.00 1hwo n VAL 73 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1hwo n THR 74 N -1.98 0.89 -0.31 2.52 -2.24 -1.26 -4.45 114.28 107.44 1hwo n THR 74 Ca -0.01 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 1hwo n THR 74 Cb 0.17 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1hwo n THR 74 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1hwo n ASN 75 N 1.28 0.00 -1.99 3.42 0.23 -0.36 -4.81 115.26 113.03 1hwo n ASN 75 Ca 0.21 -0.16 -0.18 0.00 -0.53 0.00 0.00 54.58 53.92 1hwo n ASN 75 Cb 0.54 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.20 1hwo n ASN 75 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1hwo n LEU 76 N 0.00 -1.51 -4.80 -4.53 4.77 0.21 -4.94 117.00 106.20 1hwo n LEU 76 Ca 0.00 0.24 -0.36 0.00 -0.03 0.00 0.00 56.01 55.86 1hwo n LEU 76 Cb 0.06 -2.62 -0.06 0.00 -2.33 0.00 0.00 43.42 38.47 1hwo n LEU 76 CO 0.00 -0.54 0.60 -0.31 -1.33 0.00 0.00 177.39 175.80 1hwo s TYR 77 N -2.73 3.58 -0.93 -1.77 1.51 -1.23 -4.71 117.35 111.08 1hwo s TYR 77 Ca 0.00 1.64 -0.24 0.00 -1.01 0.00 0.00 57.07 57.46 1hwo s TYR 77 Cb 0.00 -2.83 0.04 0.00 -0.11 0.00 0.00 41.96 39.06 1hwo s TYR 77 CO 0.00 0.15 1.41 -1.17 -1.11 0.00 0.00 175.55 174.83 1hwo s LEU 78 N -2.36 3.39 0.08 -1.29 2.96 -1.26 0.46 118.68 120.65 1hwo s LEU 78 Ca 0.52 -1.11 -0.28 0.00 -0.22 0.00 0.00 54.13 53.04 1hwo s LEU 78 Cb -0.16 -2.57 -0.17 0.00 0.50 0.00 0.00 46.19 43.80 1hwo s LEU 78 CO 0.20 -1.64 1.66 0.58 -1.32 0.00 0.00 176.35 175.84 1hwo h VAL 79 N 6.56 0.65 -1.75 1.68 2.07 -1.00 -3.47 116.25 120.99 1hwo h VAL 79 Ca 0.04 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1hwo h VAL 79 Cb 1.02 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1hwo h VAL 79 CO 1.38 0.01 0.01 0.00 0.02 0.00 0.00 177.57 178.99 1hwo n ALA 80 N -2.31 -0.06 -3.46 1.67 0.00 -1.03 -4.53 120.51 110.79 1hwo n ALA 80 Ca -0.11 -0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.19 1hwo n ALA 80 Cb 0.22 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 1hwo n ALA 80 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1hwo s PHE 81 N -6.90 -0.50 0.26 0.00 -0.00 -1.24 -0.01 117.98 109.58 1hwo s PHE 81 Ca 0.01 0.41 0.03 0.00 -0.00 0.00 0.00 56.93 57.38 1hwo s PHE 81 Cb -0.00 0.53 -0.05 0.00 -0.00 0.00 0.00 43.02 43.50 1hwo s PHE 81 CO 0.00 -0.73 0.02 0.45 -0.00 0.00 0.00 175.22 174.96 1hwo s SER 82 N -2.45 1.92 -0.30 1.98 0.15 0.52 -2.35 113.70 113.17 1hwo s SER 82 Ca 0.00 -1.27 -0.12 0.00 0.70 0.00 0.00 55.95 55.26 1hwo s SER 82 Cb -0.01 -0.00 0.17 0.00 -1.71 0.00 0.00 66.02 64.47 1hwo s SER 82 CO -0.09 -0.55 0.90 0.00 1.20 0.00 0.00 173.24 174.70 1hwo s ALA 83 N -3.41 -2.73 -0.51 5.45 0.00 0.25 -3.24 121.76 117.57 1hwo s ALA 83 Ca 0.32 1.91 -0.32 0.00 0.00 0.00 0.00 51.96 53.87 1hwo s ALA 83 Cb 0.07 -2.14 0.05 0.00 0.00 0.00 0.00 23.12 21.09 1hwo s ALA 83 CO 0.11 -1.13 0.65 0.27 0.00 0.00 0.00 175.76 175.66 1hwo n ASN 84 N 5.22 -5.26 -2.34 0.00 6.94 -1.26 -1.82 115.26 116.74 1hwo n ASN 84 Ca -0.08 -0.32 -0.18 0.00 -0.02 0.00 0.00 54.58 53.99 1hwo n ASN 84 Cb 0.52 -1.57 -0.01 0.00 -2.36 0.00 0.00 39.78 36.36 1hwo n ASN 84 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1hwo n GLY 85 N -0.45 -0.33 2.94 4.83 0.00 -1.26 -4.97 105.19 105.96 1hwo n GLY 85 Ca -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 1hwo n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hwo s ASN 86 N -2.08 0.81 0.02 1.61 0.01 -0.75 -2.54 114.94 112.02 1hwo s ASN 86 Ca 0.00 -0.12 0.04 0.00 -0.71 0.00 0.00 52.86 52.07 1hwo s ASN 86 Cb 0.00 -0.23 -0.02 0.00 0.41 0.00 0.00 41.25 41.42 1hwo s ASN 86 CO 0.00 0.02 -0.12 -0.94 -1.51 0.00 0.00 177.10 174.55 1hwo s SER 87 N 0.28 1.41 0.02 -1.22 1.04 -0.59 -0.59 113.70 114.06 1hwo s SER 87 Ca -0.03 -0.37 0.04 0.00 0.48 0.00 0.00 55.95 56.07 1hwo s SER 87 Cb -0.08 -0.10 -0.02 0.00 0.10 0.00 0.00 66.02 65.93 1hwo s SER 87 CO -0.00 0.04 -0.12 -0.31 0.98 0.00 0.00 173.24 173.83 1hwo s TYR 88 N -0.68 1.09 -0.02 5.02 1.51 -0.99 -3.11 117.35 120.16 1hwo s TYR 88 Ca 0.01 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 55.80 1hwo s TYR 88 Cb -0.07 -0.67 0.01 0.00 -0.11 0.00 0.00 41.96 41.12 1hwo s TYR 88 CO 0.01 0.00 -0.05 -0.06 -1.11 0.00 0.00 175.55 174.34 1hwo s PHE 89 N -0.60 0.57 1.13 2.71 0.40 -1.25 -3.70 117.98 117.23 1hwo s PHE 89 Ca 0.02 -0.12 -0.17 0.00 -0.60 0.00 0.00 56.93 56.06 1hwo s PHE 89 Cb -0.06 -0.46 0.14 0.00 0.51 0.00 0.00 43.02 43.15 1hwo s PHE 89 CO 0.00 -0.09 0.23 1.19 0.70 0.00 0.00 175.22 177.26 1hwo n PHE 90 N 3.48 -1.39 -0.15 0.36 3.72 -1.26 -0.02 117.46 122.20 1hwo n PHE 90 Ca -0.19 0.08 0.28 0.00 -0.05 0.00 0.00 57.45 57.57 1hwo n PHE 90 Cb 0.54 -1.60 0.71 0.00 -0.94 0.00 0.00 39.48 38.20 1hwo n PHE 90 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1hwo h LYS 91 N -2.18 0.00 0.00 -1.08 3.64 -1.78 -3.10 116.57 112.07 1hwo h LYS 91 Ca -0.55 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1hwo h LYS 91 Cb 1.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1hwo h LYS 91 CO 0.40 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 177.33 1hwo n ASP 92 N -3.98 0.00 -2.42 4.20 8.00 -1.26 -4.96 116.55 116.13 1hwo n ASP 92 Ca 0.18 0.11 -0.01 0.00 0.71 0.00 0.00 54.79 55.78 1hwo n ASP 92 Cb 1.02 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 42.11 1hwo n ASP 92 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hwo n ALA 93 N -1.17 -2.03 -2.57 2.24 0.00 -1.17 -4.99 120.51 110.83 1hwo n ALA 93 Ca 0.00 0.77 -0.27 0.00 0.00 0.00 0.00 53.44 53.94 1hwo n ALA 93 Cb 0.00 -1.89 -0.02 0.00 0.00 0.00 0.00 19.45 17.53 1hwo n ALA 93 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1hwo s THR 94 N -0.40 5.06 0.48 0.00 -4.23 -1.26 -4.92 115.64 110.37 1hwo s THR 94 Ca -0.07 -0.15 0.40 0.00 -1.18 0.00 0.00 61.69 60.69 1hwo s THR 94 Cb 0.00 -3.79 0.40 0.00 1.34 0.00 0.00 72.50 70.46 1hwo s THR 94 CO 0.18 -0.44 2.23 -0.33 -0.54 0.00 0.00 174.62 175.72 1hwo h GLU 95 N 1.26 0.00 -0.24 3.99 4.39 -1.96 0.58 114.58 122.61 1hwo h GLU 95 Ca -0.48 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.17 1hwo h GLU 95 Cb 1.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 1hwo h GLU 95 CO 0.64 0.00 -0.02 1.25 -1.16 0.00 0.00 179.01 179.72 1hwo h LEU 96 N 0.00 0.42 0.00 1.33 5.85 -1.92 -1.90 115.31 119.09 1hwo h LEU 96 Ca 0.00 -0.33 -0.25 0.00 0.84 0.00 0.00 57.88 58.14 1hwo h LEU 96 Cb 0.01 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1hwo h LEU 96 CO 0.00 0.65 -1.47 0.06 -0.34 0.00 0.00 178.44 177.34 1hwo h GLN 97 N 0.19 0.00 0.00 1.25 3.07 -1.74 -3.30 115.11 114.58 1hwo h GLN 97 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.78 1hwo h GLN 97 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.00 1hwo h GLN 97 CO 0.02 0.57 -0.10 0.87 0.09 0.00 0.00 178.83 180.28 1hwo h LYS 98 N 0.00 0.00 -0.84 0.06 1.57 -0.95 -2.58 116.57 113.83 1hwo h LYS 98 Ca -0.20 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.05 1hwo h LYS 98 Cb 1.88 0.00 -0.43 0.00 0.08 0.00 0.00 32.23 33.76 1hwo h LYS 98 CO 0.09 0.10 -0.83 0.43 -0.57 0.00 0.00 179.45 178.67 1hwo n SER 99 N -3.21 4.65 0.00 0.86 7.64 -0.72 -4.64 113.62 118.21 1hwo n SER 99 Ca 0.01 -3.63 0.00 0.00 1.01 0.00 0.00 58.87 56.26 1hwo n SER 99 Cb 0.40 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1hwo n SER 99 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1hwo n ASN 100 N -0.67 0.00 -4.11 6.43 3.02 -1.22 -4.96 115.26 113.75 1hwo n ASN 100 Ca 0.41 -0.48 -0.32 0.00 -0.03 0.00 0.00 54.58 54.16 1hwo n ASN 100 Cb 0.92 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.92 1hwo n ASN 100 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1hwo s LEU 101 N 0.00 1.99 -1.29 3.41 1.43 -0.97 -4.38 118.68 118.86 1hwo s LEU 101 Ca 0.00 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.52 1hwo s LEU 101 Cb 0.00 -1.36 -0.00 0.00 0.03 0.00 0.00 46.19 44.86 1hwo s LEU 101 CO 0.00 0.03 0.71 0.49 0.23 0.00 0.00 176.35 177.81 1hwo n PHE 102 N 4.35 -1.93 -2.08 0.29 0.99 -1.26 -4.87 117.46 112.95 1hwo n PHE 102 Ca -0.20 0.83 -0.43 0.00 -0.00 0.00 0.00 57.45 57.66 1hwo n PHE 102 Cb 0.51 -4.37 -0.03 0.00 -1.00 0.00 0.00 39.48 34.59 1hwo n PHE 102 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1hwo s LEU 103 N -6.62 4.02 0.00 4.37 1.02 -1.26 -2.91 118.68 117.29 1hwo s LEU 103 Ca 0.03 1.81 0.00 0.00 0.02 0.00 0.00 54.13 55.99 1hwo s LEU 103 Cb -0.01 -3.53 0.00 0.00 0.02 0.00 0.00 46.19 42.67 1hwo s LEU 103 CO 0.81 -1.16 0.00 0.61 0.02 0.00 0.00 176.35 176.63 1hwo n GLY 104 N 4.49 1.49 3.99 -3.19 0.00 -1.26 -5.13 105.19 105.58 1hwo n GLY 104 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 1hwo n GLY 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hwo s THR 105 N -0.82 2.79 -0.06 2.61 -4.23 -1.15 -5.00 115.64 109.79 1hwo s THR 105 Ca 0.00 -0.84 -0.30 0.00 -1.18 0.00 0.00 61.69 59.37 1hwo s THR 105 Cb 0.00 -2.95 -0.05 0.00 1.34 0.00 0.00 72.50 70.83 1hwo s THR 105 CO 0.00 0.00 1.58 0.42 -0.54 0.00 0.00 174.62 176.08 1hwo s THR 106 N -2.57 3.66 -1.22 3.99 -4.23 -1.05 -4.77 115.64 109.45 1hwo s THR 106 Ca 0.57 0.84 -0.08 0.00 -1.18 0.00 0.00 61.69 61.84 1hwo s THR 106 Cb -0.10 -3.54 0.21 0.00 1.34 0.00 0.00 72.50 70.41 1hwo s THR 106 CO 0.36 -0.06 1.74 1.67 -0.54 0.00 0.00 174.62 177.78 1hwo n GLN 107 N 6.80 3.86 -3.58 3.99 -0.06 -1.26 -1.54 117.38 125.59 1hwo n GLN 107 Ca 0.16 -3.84 -0.39 0.00 -2.00 0.00 0.00 57.00 50.93 1hwo n GLN 107 Cb 0.43 -2.81 -0.11 0.00 -4.06 0.00 0.00 30.24 23.69 1hwo n GLN 107 CO 0.00 0.00 0.00 -3.38 -0.20 0.00 0.00 177.06 173.48 1hwo s HIS 108 N -0.49 3.21 0.33 3.69 -3.43 -1.18 -5.01 115.29 112.41 1hwo s HIS 108 Ca 0.37 -0.26 -0.26 0.00 -0.80 0.00 0.00 55.06 54.11 1hwo s HIS 108 Cb 0.08 -2.42 -0.10 0.00 -1.43 0.00 0.00 32.58 28.71 1hwo s HIS 108 CO 0.03 -0.35 0.96 0.95 -2.00 0.00 0.00 174.74 174.33 1hwo s THR 109 N 1.69 4.14 0.00 -5.38 -4.23 -1.26 -3.92 115.64 106.68 1hwo s THR 109 Ca 0.06 1.76 0.00 0.00 -1.18 0.00 0.00 61.69 62.32 1hwo s THR 109 Cb -0.17 -3.96 0.00 0.00 1.34 0.00 0.00 72.50 69.71 1hwo s THR 109 CO 0.09 0.12 0.00 0.18 -0.54 0.00 0.00 174.62 174.47 1hwo n LEU 110 N 0.48 0.00 -1.49 4.79 4.77 0.98 -4.86 117.00 121.67 1hwo n LEU 110 Ca 0.02 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.99 1hwo n LEU 110 Cb 0.50 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.58 1hwo n LEU 110 CO 0.45 0.00 0.23 -1.54 -1.33 0.00 0.00 177.39 175.19 1hwo n SER 111 N 0.00 -0.01 -3.64 -1.43 3.41 -1.26 -4.55 113.62 106.13 1hwo n SER 111 Ca 0.00 -2.02 -0.06 0.00 -0.26 0.00 0.00 58.87 56.53 1hwo n SER 111 Cb 0.00 0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 63.91 1hwo n SER 111 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1hwo s PHE 112 N -0.29 -0.77 1.09 7.33 -0.12 -1.26 -4.75 117.98 119.21 1hwo s PHE 112 Ca 0.17 1.59 -0.12 0.00 -0.05 0.00 0.00 56.93 58.51 1hwo s PHE 112 Cb 0.22 0.45 0.24 0.00 -0.63 0.00 0.00 43.02 43.30 1hwo s PHE 112 CO -0.08 -0.38 1.06 -0.08 -0.05 0.00 0.00 175.22 175.69 1hwo s THR 113 N 1.25 2.07 -2.00 -4.49 -1.32 -1.26 -3.05 115.64 106.84 1hwo s THR 113 Ca -0.07 0.02 0.17 0.00 -1.21 0.00 0.00 61.69 60.60 1hwo s THR 113 Cb -0.04 -2.26 0.48 0.00 -1.51 0.00 0.00 72.50 69.16 1hwo s THR 113 CO -0.15 -0.03 1.55 0.61 -2.21 0.00 0.00 174.62 174.39 1hwo n GLY 114 N -0.01 -0.86 3.73 6.08 0.00 -1.26 -4.31 105.19 108.57 1hwo n GLY 114 Ca 0.04 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1hwo n GLY 114 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hwo s ASN 115 N -1.67 6.43 0.23 1.61 0.02 -1.26 -4.84 114.94 115.46 1hwo s ASN 115 Ca 0.25 2.84 -0.12 0.00 -1.02 0.00 0.00 52.86 54.81 1hwo s ASN 115 Cb 0.12 -2.61 0.30 0.00 0.02 0.00 0.00 41.25 39.08 1hwo s ASN 115 CO 0.19 -0.92 1.61 1.88 0.02 0.00 0.00 177.10 179.89 1hwo h TYR 116 N 6.15 -0.37 -0.68 2.20 0.99 -2.00 0.22 116.97 123.48 1hwo h TYR 116 Ca -0.44 0.07 0.01 0.00 2.00 0.00 0.00 58.73 60.36 1hwo h TYR 116 Cb 1.21 0.28 -0.03 0.00 1.00 0.00 0.00 36.73 39.18 1hwo h TYR 116 CO 0.62 -0.31 0.45 -0.44 -0.00 0.00 0.00 178.16 178.48 1hwo h ASP 117 N 0.00 0.77 -0.00 3.88 3.32 -1.96 -2.12 116.42 120.31 1hwo h ASP 117 Ca 0.35 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 1hwo h ASP 117 Cb 0.54 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1hwo h ASP 117 CO -0.75 0.55 0.00 0.78 -1.72 0.00 0.00 179.24 178.10 1hwo h ASN 118 N 0.90 0.01 0.18 6.45 2.35 -0.89 -2.31 115.58 122.27 1hwo h ASN 118 Ca 0.25 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1hwo h ASN 118 Cb -0.08 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1hwo h ASN 118 CO -0.06 0.23 -0.16 -0.07 -1.65 0.00 0.00 177.43 175.72 1hwo h LEU 119 N -0.22 -0.43 -0.69 1.61 3.38 -1.04 -2.09 115.31 115.83 1hwo h LEU 119 Ca 0.00 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.12 1hwo h LEU 119 Cb 0.23 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 1hwo h LEU 119 CO 0.00 -0.25 0.28 -0.33 0.09 0.00 0.00 178.44 178.23 1hwo h GLU 120 N -0.37 0.45 0.00 1.13 5.08 -1.41 0.15 114.58 119.61 1hwo h GLU 120 Ca -0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1hwo h GLU 120 Cb 0.34 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1hwo h GLU 120 CO -0.03 0.29 -0.11 0.00 -1.00 0.00 0.00 179.01 178.16 1hwo h THR 121 N 0.46 0.45 0.00 1.13 1.03 -1.15 -1.59 112.91 113.24 1hwo h THR 121 Ca 0.36 -0.57 -0.25 0.00 -0.01 0.00 0.00 66.41 65.94 1hwo h THR 121 Cb 0.48 1.39 -0.04 0.00 -1.07 0.00 0.00 68.15 68.91 1hwo h THR 121 CO -0.34 0.11 -1.47 0.00 -0.01 0.00 0.00 175.52 173.81 1hwo h ALA 122 N 1.89 0.67 -0.00 0.00 0.00 -0.18 -3.30 119.26 118.33 1hwo h ALA 122 Ca -0.00 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.69 1hwo h ALA 122 Cb 0.38 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1hwo h ALA 122 CO 0.01 1.38 -0.16 0.00 0.00 0.00 0.00 179.25 180.49 1hwo n ALA 123 N -2.47 2.84 -0.86 0.00 0.00 0.28 -4.83 120.51 115.47 1hwo n ALA 123 Ca -0.11 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1hwo n ALA 123 Cb 0.98 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 19.14 1hwo n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hwo n GLY 124 N 1.32 0.48 2.25 0.00 0.00 -0.64 -4.87 105.19 103.73 1hwo n GLY 124 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 1hwo n GLY 124 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hwo n THR 125 N -2.19 0.00 -4.34 2.61 -2.24 -1.02 -5.02 114.28 102.07 1hwo n THR 125 Ca 0.00 -1.67 -0.20 0.00 -2.27 0.00 0.00 64.05 59.91 1hwo n THR 125 Cb 0.07 0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 68.95 1hwo n THR 125 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1hwo s ARG 126 N -2.98 1.32 0.39 -0.78 0.52 -1.26 -4.25 118.95 111.91 1hwo s ARG 126 Ca 0.23 -1.53 0.17 0.00 -0.52 0.00 0.00 55.73 54.08 1hwo s ARG 126 Cb 0.01 -1.21 1.06 0.00 0.52 0.00 0.00 34.95 35.33 1hwo s ARG 126 CO 0.16 0.22 1.79 0.00 0.02 0.00 0.00 175.30 177.49 1hwo h ARG 127 N 2.78 0.42 0.00 3.54 3.08 -1.95 -1.21 114.38 121.04 1hwo h ARG 127 Ca -0.39 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.63 1hwo h ARG 127 Cb 1.22 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1hwo h ARG 127 CO 0.58 0.28 0.00 -0.85 -1.07 0.00 0.00 179.97 178.91 1hwo n GLU 128 N -4.62 0.09 0.00 0.04 0.00 -1.26 -2.13 120.64 112.75 1hwo n GLU 128 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.40 1hwo n GLU 128 Cb 0.82 -1.19 0.00 0.00 0.00 0.00 0.00 31.44 31.06 1hwo n GLU 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1hwo n SER 129 N -0.69 0.00 -3.85 -1.84 3.41 -0.46 -4.75 113.62 105.43 1hwo n SER 129 Ca 0.01 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.20 1hwo n SER 129 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1hwo n SER 129 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1hwo n ILE 130 N 0.00 5.21 -1.25 -1.33 5.41 -0.91 -5.01 119.36 121.49 1hwo n ILE 130 Ca 0.00 -5.38 -0.46 0.00 1.00 0.00 0.00 62.75 57.91 1hwo n ILE 130 Cb 0.30 -2.06 -0.05 0.00 -0.71 0.00 0.00 39.64 37.12 1hwo n ILE 130 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1hwo n GLU 131 N 1.80 0.00 -4.45 0.38 -0.00 -1.26 -4.84 120.64 112.26 1hwo n GLU 131 Ca 0.37 0.00 -0.24 0.00 -0.00 0.00 0.00 57.16 57.28 1hwo n GLU 131 Cb 0.32 -1.08 -0.10 0.00 -0.00 0.00 0.00 31.44 30.58 1hwo n GLU 131 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.13 176.65 1hwo s LEU 132 N 1.26 2.74 0.00 -1.84 2.34 0.86 -4.82 118.68 119.22 1hwo s LEU 132 Ca 0.67 -1.01 0.00 0.00 0.06 0.00 0.00 54.13 53.84 1hwo s LEU 132 Cb -0.95 -1.18 0.00 0.00 -0.56 0.00 0.00 46.19 43.50 1hwo s LEU 132 CO 0.49 -0.05 0.00 0.61 -1.06 0.00 0.00 176.35 176.34 1hwo n GLY 133 N -0.73 -0.42 0.33 -3.48 0.00 -1.26 -1.63 105.19 98.00 1hwo n GLY 133 Ca -0.05 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 1hwo n GLY 133 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hwo h PRO 134 N 0.00 -0.74 -0.09 1.61 0.13 -1.84 -1.62 132.00 129.46 1hwo h PRO 134 Ca 0.00 0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1hwo h PRO 134 Cb 0.00 0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.29 1hwo h PRO 134 CO 0.00 -0.47 0.04 -0.91 -0.23 0.00 0.00 178.00 176.43 1hwo h ASN 135 N -1.17 0.11 -0.64 1.44 -0.26 -1.93 -1.74 115.58 111.39 1hwo h ASN 135 Ca -0.08 -0.10 0.15 0.00 -0.56 0.00 0.00 56.30 55.71 1hwo h ASN 135 Cb 0.61 -0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 37.81 1hwo h ASN 135 CO 0.13 0.18 0.44 -0.65 -1.06 0.00 0.00 177.43 176.47 1hwo h PRO 136 N 0.03 0.18 -0.21 0.81 0.11 -1.88 0.65 132.00 131.69 1hwo h PRO 136 Ca 0.03 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.04 1hwo h PRO 136 Cb 0.10 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.17 1hwo h PRO 136 CO -0.00 0.12 -0.23 1.25 -0.21 0.00 0.00 178.00 178.92 1hwo h LEU 137 N 0.18 0.57 -0.27 2.35 6.46 -0.72 -2.29 115.31 121.59 1hwo h LEU 137 Ca 0.31 -0.48 0.05 0.00 -0.12 0.00 0.00 57.88 57.63 1hwo h LEU 137 Cb 0.96 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.69 1hwo h LEU 137 CO -0.05 0.94 0.01 -0.78 -0.62 0.00 0.00 178.44 177.93 1hwo h ASP 138 N 0.21 -0.09 0.14 1.25 3.58 -0.05 -0.33 116.42 121.14 1hwo h ASP 138 Ca 0.03 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 1hwo h ASP 138 Cb 0.78 0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.93 1hwo h ASP 138 CO 0.06 -0.01 -0.11 1.23 -2.88 0.00 0.00 179.24 177.53 1hwo h GLY 139 N 0.09 0.00 0.50 -0.78 0.00 -1.21 -0.83 103.07 100.84 1hwo h GLY 139 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1hwo h GLY 139 CO -0.21 0.00 -0.24 0.00 0.00 0.00 0.00 176.54 176.09 1hwo h ALA 140 N 1.89 -0.76 -0.52 3.60 0.00 -0.52 -0.89 119.26 122.07 1hwo h ALA 140 Ca -0.00 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.83 1hwo h ALA 140 Cb 0.21 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1hwo h ALA 140 CO 0.01 -0.71 0.18 0.82 0.00 0.00 0.00 179.25 179.55 1hwo h ILE 141 N -1.03 0.81 0.26 0.00 2.04 -1.07 -1.02 117.51 117.51 1hwo h ILE 141 Ca -0.07 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1hwo h ILE 141 Cb 0.51 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1hwo h ILE 141 CO 0.11 0.06 -0.25 0.74 0.00 0.00 0.00 178.15 178.82 1hwo h THR 142 N 0.35 0.47 -0.78 -0.27 2.02 -1.22 -0.13 112.91 113.36 1hwo h THR 142 Ca 0.25 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.54 1hwo h THR 142 Cb 0.28 0.47 -0.08 0.00 -1.74 0.00 0.00 68.15 67.08 1hwo h THR 142 CO -0.26 0.00 0.40 -1.28 0.37 0.00 0.00 175.52 174.75 1hwo h SER 143 N -0.53 0.52 0.70 4.18 0.87 -0.77 0.13 113.55 118.65 1hwo h SER 143 Ca -0.01 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 1hwo h SER 143 Cb 0.49 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1hwo h SER 143 CO -0.05 0.27 -0.21 -0.07 -0.53 0.00 0.00 176.83 176.24 1hwo h LEU 144 N 0.64 0.00 0.00 2.23 3.38 -0.85 -1.44 115.31 119.28 1hwo h LEU 144 Ca 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 1hwo h LEU 144 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1hwo h LEU 144 CO -0.30 0.21 -0.03 -0.25 0.09 0.00 0.00 178.44 178.17 1hwo h TRP 145 N 0.00 0.02 0.00 1.13 2.91 0.11 -3.17 115.95 116.95 1hwo h TRP 145 Ca -0.00 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.00 1hwo h TRP 145 Cb 0.62 -0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.27 1hwo h TRP 145 CO 0.00 0.96 -0.08 0.66 -1.03 0.00 0.00 178.44 178.95 1hwo n TYR 146 N -4.61 0.13 0.00 2.65 4.01 -0.10 -4.37 117.16 114.86 1hwo n TYR 146 Ca -0.10 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1hwo n TYR 146 Cb 0.47 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 1hwo n TYR 146 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1hwo n ASP 147 N -2.62 0.00 0.00 7.72 8.00 -0.56 -4.72 116.55 124.36 1hwo n ASP 147 Ca -0.01 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.77 1hwo n ASP 147 Cb 0.04 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 1hwo n ASP 147 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hwo n GLY 148 N -1.27 0.97 0.32 0.44 0.00 -1.14 -4.78 105.19 99.74 1hwo n GLY 148 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1hwo n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hwo n GLY 149 N -2.00 -0.52 3.96 -0.02 0.00 -1.11 -4.89 105.19 100.61 1hwo n GLY 149 Ca 0.00 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 1hwo n GLY 149 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1hwo n VAL 150 N 0.63 0.00 0.04 1.61 3.14 -1.26 -4.97 118.33 117.52 1hwo n VAL 150 Ca 0.00 -1.74 -0.13 0.00 -2.96 0.00 0.00 64.34 59.52 1hwo n VAL 150 Cb 0.00 -0.75 -0.09 0.00 -1.06 0.00 0.00 33.84 31.94 1hwo n VAL 150 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1hwo h ALA 151 N -0.35 -0.12 -0.21 1.55 0.00 -1.90 -3.05 119.26 115.18 1hwo h ALA 151 Ca -0.31 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.42 1hwo h ALA 151 Cb 1.25 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1hwo h ALA 151 CO 0.37 -0.36 -0.40 -0.09 0.00 0.00 0.00 179.25 178.77 1hwo h ARG 152 N -0.54 -0.33 -0.80 0.00 1.12 -1.89 -0.27 114.38 111.67 1hwo h ARG 152 Ca -0.01 0.02 0.17 0.00 -1.11 0.00 0.00 59.98 59.05 1hwo h ARG 152 Cb 0.45 0.08 -0.05 0.00 -0.01 0.00 0.00 29.97 30.43 1hwo h ARG 152 CO 0.02 -0.22 0.53 0.66 -3.11 0.00 0.00 179.97 177.85 1hwo h SER 153 N -0.35 0.35 -0.29 -3.80 4.64 -1.91 -0.79 113.55 111.40 1hwo h SER 153 Ca 0.04 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 1hwo h SER 153 Cb 0.46 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1hwo h SER 153 CO -0.38 0.16 0.08 0.25 -0.87 0.00 0.00 176.83 176.07 1hwo h LEU 154 N 0.36 0.44 -1.33 5.97 5.85 -0.99 -2.65 115.31 122.97 1hwo h LEU 154 Ca 0.40 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1hwo h LEU 154 Cb 1.01 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1hwo h LEU 154 CO -0.12 0.54 0.35 -0.07 -0.34 0.00 0.00 178.44 178.80 1hwo h LEU 155 N 0.31 0.71 -1.40 2.25 3.38 0.28 -1.46 115.31 119.38 1hwo h LEU 155 Ca 0.09 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1hwo h LEU 155 Cb 0.27 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1hwo h LEU 155 CO -0.00 0.56 0.38 0.58 0.09 0.00 0.00 178.44 180.04 1hwo h VAL 156 N 0.82 1.16 0.23 1.22 2.07 -1.05 -2.93 116.25 117.76 1hwo h VAL 156 Ca 0.21 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1hwo h VAL 156 Cb -0.02 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1hwo h VAL 156 CO -0.04 0.15 -0.11 -0.07 0.02 0.00 0.00 177.57 177.52 1hwo h LEU 157 N 0.80 -0.26 -0.90 2.57 4.07 -0.99 -3.09 115.31 117.51 1hwo h LEU 157 Ca 0.21 -0.13 0.12 0.00 0.08 0.00 0.00 57.88 58.16 1hwo h LEU 157 Cb -0.07 0.07 -0.13 0.00 1.08 0.00 0.00 40.66 41.60 1hwo h LEU 157 CO -0.04 0.24 -0.46 0.40 -1.08 0.00 0.00 178.44 177.49 1hwo h ILE 158 N -1.03 0.02 -0.21 1.22 2.04 -1.36 0.42 117.51 118.61 1hwo h ILE 158 Ca -0.03 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1hwo h ILE 158 Cb 0.38 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1hwo h ILE 158 CO 0.05 0.00 0.00 1.56 0.00 0.00 0.00 178.15 179.76 1hwo h GLN 159 N -0.05 0.31 0.00 2.37 4.20 -1.67 -1.83 115.11 118.43 1hwo h GLN 159 Ca 0.25 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.84 1hwo h GLN 159 Cb 0.53 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1hwo h GLN 159 CO -0.90 0.34 -0.31 0.52 -0.67 0.00 0.00 178.83 177.80 1hwo h MET 160 N 0.30 0.00 0.00 1.46 2.86 -0.14 -3.04 114.93 116.37 1hwo h MET 160 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1hwo h MET 160 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1hwo h MET 160 CO 0.00 0.31 0.00 0.28 1.06 0.00 0.00 176.91 178.57 1hwo n VAL 161 N -3.34 0.00 -0.22 -2.22 0.31 -0.27 -4.51 118.33 108.07 1hwo n VAL 161 Ca 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.33 1hwo n VAL 161 Cb 0.53 -0.76 0.10 0.00 -0.91 0.00 0.00 33.84 32.80 1hwo n VAL 161 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1hwo h PRO 162 N 0.00 0.60 -0.31 5.55 0.13 -1.70 0.23 132.00 136.50 1hwo h PRO 162 Ca 0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1hwo h PRO 162 Cb 0.00 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 30.98 1hwo h PRO 162 CO 0.00 0.39 0.19 1.49 -0.23 0.00 0.00 178.00 179.85 1hwo h GLU 163 N 0.61 0.41 0.00 0.86 4.57 -1.49 -0.60 114.58 118.94 1hwo h GLU 163 Ca 0.30 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1hwo h GLU 163 Cb 0.24 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1hwo h GLU 163 CO -0.21 0.29 0.00 0.00 -1.18 0.00 0.00 179.01 177.91 1hwo n ALA 164 N -2.19 1.91 0.09 2.92 0.00 -0.95 -1.34 120.51 120.95 1hwo n ALA 164 Ca -0.01 -0.07 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 1hwo n ALA 164 Cb 0.04 -1.32 -0.14 0.00 0.00 0.00 0.00 19.45 18.03 1hwo n ALA 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hwo h ALA 165 N 2.68 0.15 0.00 0.00 0.00 0.10 -3.35 119.26 118.85 1hwo h ALA 165 Ca 0.00 -0.91 -0.33 0.00 0.00 0.00 0.00 54.91 53.67 1hwo h ALA 165 Cb 0.34 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1hwo h ALA 165 CO 0.00 1.03 -2.06 2.89 0.00 0.00 0.00 179.25 181.11 1hwo n ARG 166 N -3.49 0.66 -3.91 0.00 1.85 -0.90 -4.57 116.66 106.30 1hwo n ARG 166 Ca -0.08 0.15 -0.35 0.00 -1.00 0.00 0.00 57.85 56.58 1hwo n ARG 166 Cb 1.01 -1.65 -0.14 0.00 -1.05 0.00 0.00 32.46 30.63 1hwo n ARG 166 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1hwo s PHE 167 N -2.54 3.29 -0.45 2.89 0.40 -0.45 0.31 117.98 121.43 1hwo s PHE 167 Ca -0.09 -1.94 0.21 0.00 -0.60 0.00 0.00 56.93 54.51 1hwo s PHE 167 Cb 0.07 -2.17 0.98 0.00 0.51 0.00 0.00 43.02 42.41 1hwo s PHE 167 CO 0.82 -0.82 1.65 0.54 0.70 0.00 0.00 175.22 178.11 1hwo n ARG 168 N 4.60 0.16 -0.06 0.44 1.74 -0.31 -2.25 116.66 120.99 1hwo n ARG 168 Ca -0.12 0.48 -0.11 0.00 -0.77 0.00 0.00 57.85 57.32 1hwo n ARG 168 Cb 0.43 -1.86 -0.05 0.00 -1.02 0.00 0.00 32.46 29.96 1hwo n ARG 168 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1hwo h TYR 169 N 0.00 0.34 0.00 -1.55 3.20 -1.77 -1.09 116.97 116.10 1hwo h TYR 169 Ca 0.00 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.75 1hwo h TYR 169 Cb 0.23 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1hwo h TYR 169 CO 0.00 0.50 -0.32 0.82 -1.64 0.00 0.00 178.16 177.51 1hwo h ILE 170 N 0.08 1.06 0.65 1.81 2.04 -1.76 -1.53 117.51 119.86 1hwo h ILE 170 Ca 0.05 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.70 1hwo h ILE 170 Cb 0.35 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1hwo h ILE 170 CO 0.01 0.32 -0.33 -0.08 0.00 0.00 0.00 178.15 178.06 1hwo h GLU 171 N 0.00 -0.87 0.00 2.37 4.81 -1.18 -0.63 114.58 119.09 1hwo h GLU 171 Ca -0.00 0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1hwo h GLU 171 Cb 0.65 0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.22 1hwo h GLU 171 CO 0.04 -0.58 -0.03 0.37 -0.73 0.00 0.00 179.01 178.09 1hwo h GLN 172 N -0.90 0.00 -0.14 1.92 5.75 -1.16 0.51 115.11 121.08 1hwo h GLN 172 Ca -0.09 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.34 1hwo h GLN 172 Cb 0.70 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.23 1hwo h GLN 172 CO 0.14 0.03 -0.22 0.93 -2.65 0.00 0.00 178.83 177.05 1hwo h GLU 173 N 0.00 0.25 0.07 1.69 4.39 -0.90 -0.36 114.58 119.71 1hwo h GLU 173 Ca -0.00 -0.07 -0.33 0.00 0.34 0.00 0.00 59.36 59.29 1hwo h GLU 173 Cb 0.06 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 1hwo h GLU 173 CO 0.00 0.46 -1.89 0.28 -1.16 0.00 0.00 179.01 176.71 1hwo n VAL 174 N -4.19 1.69 -0.01 3.13 0.31 0.02 -2.89 118.33 116.39 1hwo n VAL 174 Ca -0.01 -0.72 0.03 0.00 -0.01 0.00 0.00 64.34 63.63 1hwo n VAL 174 Cb 0.34 -1.40 0.38 0.00 -0.91 0.00 0.00 33.84 32.25 1hwo n VAL 174 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1hwo h ARG 175 N 0.04 0.55 0.00 5.55 3.08 0.10 0.06 114.38 123.76 1hwo h ARG 175 Ca -0.37 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.48 1hwo h ARG 175 Cb 2.03 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.94 1hwo h ARG 175 CO 0.08 0.42 -0.74 -0.09 -1.07 0.00 0.00 179.97 178.58 1hwo h ARG 176 N 0.56 0.00 -0.03 0.04 2.43 -1.19 -2.50 114.38 113.68 1hwo h ARG 176 Ca 0.14 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1hwo h ARG 176 Cb 0.04 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1hwo h ARG 176 CO -0.02 0.61 0.01 1.03 -1.51 0.00 0.00 179.97 180.09 1hwo h SER 177 N 0.00 0.05 0.79 -3.80 0.87 -0.90 -1.53 113.55 109.03 1hwo h SER 177 Ca -0.03 -0.22 -0.13 0.00 -1.23 0.00 0.00 61.79 60.19 1hwo h SER 177 Cb 1.52 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.44 1hwo h SER 177 CO 0.08 0.25 -0.60 0.17 -0.53 0.00 0.00 176.83 176.20 1hwo h LEU 178 N -0.16 0.00 -0.47 2.23 -0.00 -1.33 0.46 115.31 116.05 1hwo h LEU 178 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.88 1hwo h LEU 178 Cb 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.86 1hwo h LEU 178 CO -0.00 0.60 0.25 -0.61 -0.00 0.00 0.00 178.44 178.68 1hwo h GLN 179 N 0.00 0.66 -0.06 0.17 4.15 -1.23 -2.62 115.11 116.18 1hwo h GLN 179 Ca -0.01 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1hwo h GLN 179 Cb 1.16 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.72 1hwo h GLN 179 CO 0.08 0.52 0.00 1.04 -1.93 0.00 0.00 178.83 178.54 1hwo n GLN 180 N -4.67 2.11 -3.21 1.69 1.13 -0.59 -4.95 117.38 108.89 1hwo n GLN 180 Ca 0.01 -1.62 -0.23 0.00 -1.94 0.00 0.00 57.00 53.23 1hwo n GLN 180 Cb 0.09 -1.47 0.03 0.00 0.11 0.00 0.00 30.24 29.00 1hwo n GLN 180 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1hwo n LEU 181 N 0.94 -2.39 -4.29 1.08 -0.00 -0.03 -4.98 117.00 107.33 1hwo n LEU 181 Ca 0.16 -0.36 -0.22 0.00 -0.00 0.00 0.00 56.01 55.59 1hwo n LEU 181 Cb 0.51 -2.71 -0.12 0.00 -0.00 0.00 0.00 43.42 41.10 1hwo n LEU 181 CO 0.15 0.25 -0.50 0.28 -0.00 0.00 0.00 177.39 177.58 1hwo s THR 182 N -3.12 1.67 0.76 1.96 -1.32 -0.15 -4.96 115.64 110.48 1hwo s THR 182 Ca 0.37 -1.65 -0.02 0.00 -1.21 0.00 0.00 61.69 59.18 1hwo s THR 182 Cb -0.18 -1.61 0.15 0.00 -1.51 0.00 0.00 72.50 69.36 1hwo s THR 182 CO 0.46 -0.17 1.04 -1.20 -2.21 0.00 0.00 174.62 172.53 1hwo n SER 183 N 0.82 1.24 -3.56 8.08 7.64 -1.26 -4.51 113.62 122.07 1hwo n SER 183 Ca -0.17 -2.09 -0.06 0.00 1.01 0.00 0.00 58.87 57.56 1hwo n SER 183 Cb 0.55 -0.69 -0.02 0.00 -1.01 0.00 0.00 64.21 63.04 1hwo n SER 183 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1hwo s PHE 184 N -3.20 -0.26 -0.02 1.43 -0.12 -0.64 -4.98 117.98 110.19 1hwo s PHE 184 Ca 0.68 0.12 0.03 0.00 -0.05 0.00 0.00 56.93 57.71 1hwo s PHE 184 Cb -0.04 0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 42.87 1hwo s PHE 184 CO 0.45 -0.48 -0.10 0.95 -0.05 0.00 0.00 175.22 175.99 1hwo s THR 185 N -2.94 3.39 0.13 -4.49 -4.23 -1.26 -0.10 115.64 106.14 1hwo s THR 185 Ca 0.07 -0.75 -0.33 0.00 -1.18 0.00 0.00 61.69 59.51 1hwo s THR 185 Cb -0.01 -2.41 -0.12 0.00 1.34 0.00 0.00 72.50 71.30 1hwo s THR 185 CO -0.07 0.49 1.71 -2.65 -0.54 0.00 0.00 174.62 173.57 1hwo n PRO 186 N 1.91 2.44 -1.67 3.99 -0.02 -1.26 -4.99 135.00 135.39 1hwo n PRO 186 Ca -0.17 0.88 -0.19 0.00 -2.02 0.00 0.00 63.50 62.00 1hwo n PRO 186 Cb 0.52 -2.71 0.12 0.00 -0.02 0.00 0.00 33.50 31.42 1hwo n PRO 186 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1hwo n ASN 187 N 4.53 0.47 0.13 2.55 0.23 -1.26 -4.64 115.26 117.27 1hwo n ASN 187 Ca 0.18 -1.56 0.00 0.00 -0.53 0.00 0.00 54.58 52.67 1hwo n ASN 187 Cb 0.32 -0.62 0.30 0.00 -2.08 0.00 0.00 39.78 37.70 1hwo n ASN 187 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1hwo h ALA 188 N -1.29 1.29 0.42 -2.53 0.00 -1.84 -2.59 119.26 112.71 1hwo h ALA 188 Ca -0.28 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 1hwo h ALA 188 Cb 0.87 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1hwo h ALA 188 CO 0.24 0.50 -0.20 1.25 0.00 0.00 0.00 179.25 181.03 1hwo h LEU 189 N 0.14 -0.47 -0.92 0.00 5.85 -1.66 -0.44 115.31 117.80 1hwo h LEU 189 Ca 0.02 0.02 0.22 0.00 0.84 0.00 0.00 57.88 58.97 1hwo h LEU 189 Cb 0.67 0.12 -0.12 0.00 0.37 0.00 0.00 40.66 41.70 1hwo h LEU 189 CO 0.05 -0.12 0.45 -0.03 -0.34 0.00 0.00 178.44 178.45 1hwo h MET 190 N -1.00 0.46 -0.19 1.25 4.05 -1.86 0.27 114.93 117.90 1hwo h MET 190 Ca -0.06 -0.03 -0.17 0.00 -0.28 0.00 0.00 59.70 59.16 1hwo h MET 190 Cb 0.43 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.12 1hwo h MET 190 CO 0.09 0.30 -0.58 -0.07 0.23 0.00 0.00 176.91 176.89 1hwo h LEU 191 N 0.47 0.69 0.47 3.39 3.38 -1.52 -1.90 115.31 120.29 1hwo h LEU 191 Ca 0.57 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1hwo h LEU 191 Cb 1.06 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1hwo h LEU 191 CO -0.50 1.12 -0.23 0.77 0.09 0.00 0.00 178.44 179.69 1hwo h SER 192 N 0.47 -0.54 0.50 -0.43 4.64 0.12 -1.81 113.55 116.49 1hwo h SER 192 Ca 0.00 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1hwo h SER 192 Cb 1.14 0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1hwo h SER 192 CO 0.11 -0.37 -0.06 0.00 -0.87 0.00 0.00 176.83 175.64 1hwo h MET 193 N -0.66 0.00 0.00 4.77 -0.00 -1.12 -1.37 114.93 116.55 1hwo h MET 193 Ca -0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.63 1hwo h MET 193 Cb 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.10 1hwo h MET 193 CO 0.11 0.06 -0.02 1.49 -0.00 0.00 0.00 176.91 178.54 1hwo h GLU 194 N 0.00 0.00 -0.01 -0.10 4.81 -0.51 -2.97 114.58 115.80 1hwo h GLU 194 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1hwo h GLU 194 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1hwo h GLU 194 CO 0.01 0.02 -0.23 0.09 -0.73 0.00 0.00 179.01 178.17 1hwo n ASN 195 N -3.12 1.53 -1.65 1.04 3.02 -0.55 -4.53 115.26 111.00 1hwo n ASN 195 Ca 0.01 -1.27 -0.16 0.00 -0.03 0.00 0.00 54.58 53.13 1hwo n ASN 195 Cb 0.33 0.40 0.13 0.00 -0.61 0.00 0.00 39.78 40.03 1hwo n ASN 195 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1hwo n ASN 196 N -0.05 4.09 -0.03 6.41 5.03 -0.99 -4.69 115.26 125.03 1hwo n ASN 196 Ca 0.06 -3.78 -0.14 0.00 0.87 0.00 0.00 54.58 51.59 1hwo n ASN 196 Cb 0.29 -0.63 -0.10 0.00 -1.02 0.00 0.00 39.78 38.32 1hwo n ASN 196 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.26 175.18 1hwo h TRP 197 N 1.49 0.14 -0.35 3.10 7.01 -1.80 -1.96 115.95 123.58 1hwo h TRP 197 Ca 0.35 -0.05 -0.15 0.00 2.11 0.00 0.00 58.89 61.15 1hwo h TRP 197 Cb 1.53 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 28.56 1hwo h TRP 197 CO 1.09 0.69 -0.37 1.03 -2.79 0.00 0.00 178.44 178.10 1hwo h SER 198 N -0.45 0.88 0.67 2.65 0.87 -1.94 -0.92 113.55 115.30 1hwo h SER 198 Ca -0.00 -0.39 -0.03 0.00 -1.23 0.00 0.00 61.79 60.14 1hwo h SER 198 Cb 0.69 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1hwo h SER 198 CO 0.02 1.15 -0.32 0.28 -0.53 0.00 0.00 176.83 177.43 1hwo h SER 199 N 0.68 -0.76 0.06 6.23 0.02 -1.86 -2.45 113.55 115.47 1hwo h SER 199 Ca 0.06 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1hwo h SER 199 Cb 0.93 0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 1hwo h SER 199 CO 0.09 -0.51 -0.00 0.00 -1.14 0.00 0.00 176.83 175.26 1hwo h MET 200 N -0.96 0.00 0.68 3.45 -0.00 -1.43 -1.80 114.93 114.87 1hwo h MET 200 Ca -0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.57 1hwo h MET 200 Cb 0.69 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.29 1hwo h MET 200 CO 0.15 0.00 -0.33 0.77 -0.00 0.00 0.00 176.91 177.50 1hwo h SER 201 N 0.00 -0.78 0.67 -0.10 0.02 -0.71 -2.35 113.55 110.31 1hwo h SER 201 Ca -0.00 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 1hwo h SER 201 Cb 0.03 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1hwo h SER 201 CO 0.00 -0.54 -0.27 0.17 -1.14 0.00 0.00 176.83 175.05 1hwo h LEU 202 N -0.95 0.00 -0.99 5.07 8.10 -1.22 -2.25 115.31 123.07 1hwo h LEU 202 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.90 1hwo h LEU 202 Cb 0.70 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.92 1hwo h LEU 202 CO 0.15 0.27 0.00 -0.33 -4.11 0.00 0.00 178.44 174.42 1hwo h GLU 203 N 0.00 0.00 0.00 0.17 4.39 -1.22 0.37 114.58 118.29 1hwo h GLU 203 Ca -0.00 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.43 1hwo h GLU 203 Cb 0.67 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.27 1hwo h GLU 203 CO 0.03 0.00 -2.17 1.55 -1.16 0.00 0.00 179.01 177.26 1hwo n VAL 204 N -2.34 1.00 0.15 3.13 3.14 -0.88 -4.00 118.33 118.53 1hwo n VAL 204 Ca 0.01 -0.71 0.05 0.00 -2.96 0.00 0.00 64.34 60.74 1hwo n VAL 204 Cb 0.19 -0.41 0.05 0.00 -1.06 0.00 0.00 33.84 32.61 1hwo n VAL 204 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 1hwo h GLN 205 N 0.00 0.00 0.19 1.45 4.20 -1.02 -3.07 115.11 116.85 1hwo h GLN 205 Ca -0.40 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.30 1hwo h GLN 205 Cb 1.88 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.66 1hwo h GLN 205 CO 0.02 0.33 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.35 1hwo h LEU 206 N 0.00 -0.21 -1.53 1.46 -0.00 -0.46 -3.04 115.31 111.52 1hwo h LEU 206 Ca -0.02 -0.29 0.08 0.00 -0.00 0.00 0.00 57.88 57.66 1hwo h LEU 206 Cb 1.28 0.06 -0.04 0.00 -0.00 0.00 0.00 40.66 41.96 1hwo h LEU 206 CO 0.04 0.21 0.43 0.28 -0.00 0.00 0.00 178.44 179.41 1hwo h SER 207 N -0.69 0.49 -4.80 -0.43 0.02 -1.69 -3.49 113.55 102.96 1hwo h SER 207 Ca -0.03 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1hwo h SER 207 Cb 0.49 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1hwo h SER 207 CO 0.04 0.30 0.00 0.61 -1.14 0.00 0.00 176.83 176.65 1hwo n GLY 208 N -1.49 -3.93 3.77 -3.77 0.00 -1.15 -4.73 105.19 93.89 1hwo n GLY 208 Ca 0.10 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.75 1hwo n GLY 208 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hwo s ASP 209 N -0.49 6.88 -1.52 1.61 2.15 -1.26 -3.58 116.67 120.45 1hwo s ASP 209 Ca 0.00 2.10 -0.05 0.00 0.43 0.00 0.00 52.55 55.03 1hwo s ASP 209 Cb 0.00 -2.60 0.02 0.00 -0.30 0.00 0.00 42.92 40.04 1hwo s ASP 209 CO 0.00 -0.41 0.54 -3.20 -0.17 0.00 0.00 175.17 171.93 1hwo n ASN 210 N 0.26 -5.70 -4.27 -0.34 2.85 -1.26 -4.94 115.26 101.86 1hwo n ASN 210 Ca 0.03 -0.27 -0.29 0.00 -0.11 0.00 0.00 54.58 53.94 1hwo n ASN 210 Cb 0.48 -4.63 -0.16 0.00 1.24 0.00 0.00 39.78 36.72 1hwo n ASN 210 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1hwo s VAL 211 N -3.12 1.86 -0.21 3.44 1.01 -1.23 -5.07 120.40 117.08 1hwo s VAL 211 Ca 0.29 -1.06 -0.16 0.00 0.00 0.00 0.00 61.98 61.05 1hwo s VAL 211 Cb -0.13 -1.56 -0.10 0.00 0.00 0.00 0.00 36.38 34.58 1hwo s VAL 211 CO 0.36 0.48 -0.19 -0.24 0.00 0.00 0.00 175.10 175.51 1hwo n SER 212 N 2.36 1.90 -4.75 3.32 2.88 -1.26 -4.75 113.62 113.33 1hwo n SER 212 Ca -0.16 0.42 -0.36 0.00 -1.33 0.00 0.00 58.87 57.44 1hwo n SER 212 Cb 0.52 -0.84 0.04 0.00 -0.75 0.00 0.00 64.21 63.18 1hwo n SER 212 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1hwo s PRO 213 N -2.52 2.83 -0.00 -1.46 0.04 -1.26 -0.33 135.00 132.30 1hwo s PRO 213 Ca -0.29 1.90 -0.00 0.00 0.04 0.00 0.00 61.00 62.64 1hwo s PRO 213 Cb 0.07 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 1hwo s PRO 213 CO 0.44 -1.33 0.09 -0.06 0.04 0.00 0.00 177.00 176.18 1hwo s PHE 214 N -1.53 3.30 0.41 0.56 2.99 0.12 -4.68 117.98 119.16 1hwo s PHE 214 Ca 0.79 0.21 0.31 0.00 0.00 0.00 0.00 56.93 58.25 1hwo s PHE 214 Cb -0.33 -1.74 1.60 0.00 0.00 0.00 0.00 43.02 42.56 1hwo s PHE 214 CO 0.35 0.56 2.11 0.77 -0.00 0.00 0.00 175.22 179.01 1hwo h SER 215 N 4.04 0.00 0.00 1.36 0.02 -1.87 -3.45 113.55 113.65 1hwo h SER 215 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1hwo h SER 215 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1hwo h SER 215 CO 0.63 0.08 0.00 0.61 -1.14 0.00 0.00 176.83 177.01 1hwo n GLY 216 N -0.66 5.59 3.09 -3.77 0.00 -1.26 -5.16 105.19 103.02 1hwo n GLY 216 Ca -0.02 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 1hwo n GLY 216 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hwo s THR 217 N 1.91 0.12 -0.21 2.61 -4.23 -1.26 -4.71 115.64 109.87 1hwo s THR 217 Ca 0.00 -0.96 -0.08 0.00 -1.18 0.00 0.00 61.69 59.47 1hwo s THR 217 Cb 0.00 -0.67 -0.04 0.00 1.34 0.00 0.00 72.50 73.13 1hwo s THR 217 CO 0.00 -0.53 0.10 -0.69 -0.54 0.00 0.00 174.62 172.96 1hwo s VAL 218 N -2.09 4.87 -1.15 2.29 1.01 -0.89 -4.94 120.40 119.50 1hwo s VAL 218 Ca -0.09 0.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.71 1hwo s VAL 218 Cb -0.04 -3.24 0.10 0.00 0.00 0.00 0.00 36.38 33.20 1hwo s VAL 218 CO -0.02 0.40 1.51 -1.58 0.00 0.00 0.00 175.10 175.40 1hwo s GLN 219 N 0.85 3.85 0.75 2.72 0.74 -1.26 -2.30 119.66 125.01 1hwo s GLN 219 Ca 0.05 -1.86 -0.04 0.00 0.05 0.00 0.00 55.36 53.56 1hwo s GLN 219 Cb -0.13 -5.30 0.15 0.00 1.10 0.00 0.00 33.01 28.84 1hwo s GLN 219 CO 0.03 -2.07 1.02 1.28 -0.55 0.00 0.00 175.29 175.00 1hwo n LEU 220 N 7.65 0.00 -3.75 3.68 4.32 -0.24 -4.88 117.00 123.78 1hwo n LEU 220 Ca 0.38 -1.87 -0.13 0.00 -0.02 0.00 0.00 56.01 54.37 1hwo n LEU 220 Cb 0.47 -0.69 -0.14 0.00 -1.62 0.00 0.00 43.42 41.44 1hwo n LEU 220 CO 0.67 -1.06 -0.18 -1.10 -1.22 0.00 0.00 177.39 174.49 1hwo s GLN 221 N -5.15 0.15 0.92 3.23 -0.21 -1.26 -1.31 119.66 116.01 1hwo s GLN 221 Ca 0.65 0.41 -0.14 0.00 0.02 0.00 0.00 55.36 56.29 1hwo s GLN 221 Cb -0.03 -0.12 0.17 0.00 1.00 0.00 0.00 33.01 34.03 1hwo s GLN 221 CO 0.44 -0.14 1.28 -0.80 -2.12 0.00 0.00 175.29 173.94 1hwo s ASN 222 N 1.05 3.45 0.17 5.90 -0.87 -0.26 -2.37 114.94 122.00 1hwo s ASN 222 Ca -0.08 0.33 -0.14 0.00 -1.57 0.00 0.00 52.86 51.39 1hwo s ASN 222 Cb -0.10 -0.48 0.10 0.00 -0.02 0.00 0.00 41.25 40.76 1hwo s ASN 222 CO -0.06 -2.52 1.78 1.88 -2.57 0.00 0.00 177.10 175.61 1hwo h TYR 223 N -1.46 0.42 0.00 2.20 0.99 -1.93 -0.28 116.97 116.90 1hwo h TYR 223 Ca -0.44 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.31 1hwo h TYR 223 Cb 1.25 -0.12 0.00 0.00 1.00 0.00 0.00 36.73 38.86 1hwo h TYR 223 CO -0.82 0.21 0.00 -0.40 -0.00 0.00 0.00 178.16 177.15 1hwo n ASP 224 N -4.90 0.05 0.00 3.88 5.68 -1.26 -4.69 116.55 115.30 1hwo n ASP 224 Ca 0.03 -1.10 0.00 0.00 -0.50 0.00 0.00 54.79 53.22 1hwo n ASP 224 Cb 0.11 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 1hwo n ASP 224 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1hwo n HIS 225 N -0.44 0.00 -1.51 2.11 8.25 -0.12 -4.99 115.22 118.52 1hwo n HIS 225 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1hwo n HIS 225 Cb 0.01 -0.26 0.09 0.00 1.12 0.00 0.00 29.99 30.95 1hwo n HIS 225 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1hwo n THR 226 N -2.00 3.82 -2.29 1.59 -2.24 -1.26 -4.56 114.28 107.34 1hwo n THR 226 Ca 0.00 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 1hwo n THR 226 Cb 0.00 -1.33 -0.03 0.00 -2.10 0.00 0.00 70.33 66.87 1hwo n THR 226 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1hwo s PRO 227 N -3.49 4.38 -0.48 -0.78 0.02 -1.26 -1.11 135.00 132.28 1hwo s PRO 227 Ca 0.78 1.93 0.03 0.00 0.02 0.00 0.00 61.00 63.77 1hwo s PRO 227 Cb -0.36 -3.29 0.12 0.00 0.02 0.00 0.00 34.50 31.00 1hwo s PRO 227 CO 0.45 -0.33 0.22 0.50 -0.33 0.00 0.00 177.00 177.51 1hwo s ARG 228 N 0.95 1.89 -0.32 5.54 3.52 -0.43 -4.85 118.95 125.26 1hwo s ARG 228 Ca 0.61 -2.43 -0.23 0.00 -0.13 0.00 0.00 55.73 53.55 1hwo s ARG 228 Cb -0.33 -3.32 -0.00 0.00 -1.56 0.00 0.00 34.95 29.73 1hwo s ARG 228 CO 0.31 -1.07 0.75 -0.51 -0.81 0.00 0.00 175.30 173.96 1hwo s LEU 229 N 0.03 4.11 -0.26 -0.88 1.43 -1.26 -1.07 118.68 120.78 1hwo s LEU 229 Ca 0.15 0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 53.71 1hwo s LEU 229 Cb -0.24 -3.01 -0.05 0.00 0.03 0.00 0.00 46.19 42.93 1hwo s LEU 229 CO -0.02 -0.60 0.16 0.54 0.23 0.00 0.00 176.35 176.65 1hwo s VAL 230 N 2.90 5.20 -0.26 -1.59 0.11 -0.97 -4.90 120.40 120.90 1hwo s VAL 230 Ca 0.30 0.13 0.21 0.00 -2.93 0.00 0.00 61.98 59.69 1hwo s VAL 230 Cb -0.14 -3.45 -0.30 0.00 -1.53 0.00 0.00 36.38 30.96 1hwo s VAL 230 CO 0.13 0.31 0.56 -0.90 -3.33 0.00 0.00 175.10 171.87 1hwo n ASP 231 N 4.65 0.39 -4.52 3.54 3.85 -1.26 -2.10 116.55 121.10 1hwo n ASP 231 Ca -0.15 -0.24 -0.24 0.00 -0.71 0.00 0.00 54.79 53.45 1hwo n ASP 231 Cb 0.52 1.72 -0.09 0.00 -1.35 0.00 0.00 41.12 41.92 1hwo n ASP 231 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1hwo s ASN 232 N -4.05 3.88 -0.00 -1.12 2.20 -1.26 0.16 114.94 114.75 1hwo s ASN 232 Ca -0.04 -0.87 -0.25 0.00 -0.94 0.00 0.00 52.86 50.76 1hwo s ASN 232 Cb 0.14 -0.47 -0.19 0.00 -2.00 0.00 0.00 41.25 38.72 1hwo s ASN 232 CO 0.86 0.05 1.34 0.15 -2.94 0.00 0.00 177.10 176.56 1hwo h PHE 233 N 2.34 0.03 -1.14 1.54 3.57 -0.97 -2.86 116.94 119.44 1hwo h PHE 233 Ca -0.42 -0.01 0.33 0.00 3.53 0.00 0.00 57.97 61.40 1hwo h PHE 233 Cb 1.25 -0.01 -0.11 0.00 2.79 0.00 0.00 35.95 39.87 1hwo h PHE 233 CO 0.75 0.43 0.73 0.93 -2.23 0.00 0.00 178.31 178.92 1hwo h GLU 234 N -0.39 0.27 -0.00 1.11 3.07 -1.93 0.15 114.58 116.86 1hwo h GLU 234 Ca 0.00 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1hwo h GLU 234 Cb 0.42 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1hwo h GLU 234 CO 0.00 0.18 -0.01 0.93 -1.40 0.00 0.00 179.01 178.71 1hwo h GLU 235 N 0.27 0.01 -0.90 2.33 4.39 -1.93 -2.16 114.58 116.59 1hwo h GLU 235 Ca 0.68 -0.01 0.14 0.00 0.34 0.00 0.00 59.36 60.51 1hwo h GLU 235 Cb 1.90 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 30.46 1hwo h GLU 235 CO -0.36 0.62 0.51 1.25 -1.16 0.00 0.00 179.01 179.88 1hwo h LEU 236 N -0.59 0.69 -0.07 1.33 5.85 -0.55 -2.17 115.31 119.80 1hwo h LEU 236 Ca -0.00 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1hwo h LEU 236 Cb 0.62 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1hwo h LEU 236 CO 0.00 0.32 -0.19 0.22 -0.34 0.00 0.00 178.44 178.45 1hwo h TYR 237 N 0.76 0.33 0.00 1.25 3.20 -1.19 0.66 116.97 121.99 1hwo h TYR 237 Ca 0.48 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 62.22 1hwo h TYR 237 Cb 0.60 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.81 1hwo h TYR 237 CO -0.05 0.81 0.00 1.63 -1.64 0.00 0.00 178.16 178.90 1hwo n LYS 238 N -4.55 0.02 0.02 1.82 5.02 -0.81 -0.84 118.16 118.84 1hwo n LYS 238 Ca -0.08 0.36 -0.01 0.00 -2.02 0.00 0.00 58.31 56.56 1hwo n LYS 238 Cb 0.42 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.92 1hwo n LYS 238 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1hwo n ILE 239 N -1.42 0.89 0.69 -0.18 5.41 -0.86 -4.77 119.36 119.13 1hwo n ILE 239 Ca 0.01 0.25 0.13 0.00 1.00 0.00 0.00 62.75 64.15 1hwo n ILE 239 Cb 0.05 -1.61 0.44 0.00 -0.71 0.00 0.00 39.64 37.81 1hwo n ILE 239 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1hwo n THR 240 N -3.42 0.49 -2.37 1.39 -2.24 0.22 -4.76 114.28 103.59 1hwo n THR 240 Ca -0.02 -0.23 -0.11 0.00 -2.27 0.00 0.00 64.05 61.42 1hwo n THR 240 Cb 0.20 -0.57 -0.01 0.00 -2.10 0.00 0.00 70.33 67.85 1hwo n THR 240 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hwo n GLY 241 N 1.34 -0.39 3.47 3.38 0.00 -0.02 -3.50 105.19 109.46 1hwo n GLY 241 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1hwo n GLY 241 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1hwo n ILE 242 N -3.16 2.11 -1.51 -0.61 3.06 -1.26 -1.16 119.36 116.83 1hwo n ILE 242 Ca -0.13 -0.46 0.00 0.00 -2.50 0.00 0.00 62.75 59.66 1hwo n ILE 242 Cb 0.58 -0.71 0.00 0.00 0.54 0.00 0.00 39.64 40.04 1hwo n ILE 242 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1hwo n ALA 243 N -1.98 0.64 -3.71 1.51 0.00 0.15 -4.80 120.51 112.32 1hwo n ALA 243 Ca 0.11 -0.16 -0.14 0.00 0.00 0.00 0.00 53.44 53.26 1hwo n ALA 243 Cb 0.49 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.80 1hwo n ALA 243 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1hwo s ILE 244 N 0.00 -0.16 -0.10 0.00 -1.09 -1.23 -4.46 121.20 114.16 1hwo s ILE 244 Ca 0.00 0.22 0.01 0.00 -2.23 0.00 0.00 60.65 58.65 1hwo s ILE 244 Cb 0.00 -0.35 -0.02 0.00 -1.58 0.00 0.00 42.46 40.51 1hwo s ILE 244 CO 0.00 0.09 -0.14 -0.76 -1.23 0.00 0.00 174.94 172.90 1hwo s LEU 245 N 1.65 2.71 0.17 2.97 1.43 -0.41 -4.92 118.68 122.28 1hwo s LEU 245 Ca -0.05 -0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 52.63 1hwo s LEU 245 Cb -0.11 -1.59 -0.07 0.00 0.03 0.00 0.00 46.19 44.45 1hwo s LEU 245 CO -0.08 0.23 0.55 -0.22 0.23 0.00 0.00 176.35 177.06 1hwo s LEU 246 N -0.04 4.30 0.40 1.79 2.96 -1.26 -0.84 118.68 125.98 1hwo s LEU 246 Ca -0.03 1.04 -0.26 0.00 -0.22 0.00 0.00 54.13 54.66 1hwo s LEU 246 Cb -0.14 -3.36 -0.09 0.00 0.50 0.00 0.00 46.19 43.10 1hwo s LEU 246 CO 0.04 0.06 1.25 0.12 -1.32 0.00 0.00 176.35 176.50 1hwo s PHE 247 N -1.55 2.95 0.00 5.38 5.36 -1.26 -4.66 117.98 124.21 1hwo s PHE 247 Ca 0.40 1.47 0.00 0.00 -0.96 0.00 0.00 56.93 57.84 1hwo s PHE 247 Cb -0.14 -3.56 0.00 0.00 -0.34 0.00 0.00 43.02 38.98 1hwo s PHE 247 CO 0.19 -1.75 0.00 0.54 -1.46 0.00 0.00 175.22 172.75 1hwo n ARG 248 N 0.18 0.00 -3.76 10.12 5.12 -1.26 -4.98 116.66 122.07 1hwo n ARG 248 Ca 0.04 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.86 1hwo n ARG 248 Cb 0.45 -0.22 -0.06 0.00 -1.16 0.00 0.00 32.46 31.47 1hwo n ARG 248 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1hwo s VAL 250 N -3.86 4.22 0.81 0.00 -7.23 -1.26 -5.01 120.40 108.07 1hwo s VAL 250 Ca 0.07 -1.43 -0.15 0.00 -1.81 0.00 0.00 61.98 58.66 1hwo s VAL 250 Cb 0.02 -3.24 -0.02 0.00 0.56 0.00 0.00 36.38 33.71 1hwo s VAL 250 CO -0.08 -0.28 0.44 0.00 -0.31 0.00 0.00 175.10 174.87 1hwo n ALA 251 N -0.87 -2.02 -0.24 1.32 0.00 -1.26 -5.05 120.51 112.39 1hwo n ALA 251 Ca -0.08 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1hwo n ALA 251 Cb 0.57 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1hwo n ALA 251 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75