#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w4y n LEU 2 N 0.00 2.01 0.00 0.00 4.77 -1.26 -5.09 117.00 117.43 2w4y n LEU 2 Ca 0.00 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2w4y n LEU 2 Cb 0.00 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 2w4y n LEU 2 CO 0.00 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 2w4y n GLY 3 N 1.84 3.94 0.33 -0.72 0.00 -1.26 -4.87 105.19 104.45 2w4y n GLY 3 Ca -0.27 -1.52 0.19 0.00 0.00 0.00 0.00 46.02 44.43 2w4y n GLY 3 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2w4y h ASP 4 N 0.00 0.00 -4.91 1.61 3.45 -1.97 -3.44 116.42 111.17 2w4y h ASP 4 Ca 0.00 0.00 -0.25 0.00 0.43 0.00 0.00 57.03 57.21 2w4y h ASP 4 Cb 0.00 0.00 -0.15 0.00 -0.56 0.00 0.00 39.33 38.62 2w4y h ASP 4 CO 0.00 0.00 -0.65 0.42 -1.57 0.00 0.00 179.24 177.44 2w4y s THR 5 N -4.30 0.42 -0.10 0.35 -4.23 -1.26 -0.48 115.64 106.05 2w4y s THR 5 Ca -0.05 -1.95 -0.04 0.00 -1.18 0.00 0.00 61.69 58.47 2w4y s THR 5 Cb 0.13 -2.15 0.05 0.00 1.34 0.00 0.00 72.50 71.87 2w4y s THR 5 CO 0.42 -0.41 0.20 -0.22 -0.54 0.00 0.00 174.62 174.07 2w4y s LEU 6 N -3.14 0.14 -0.22 4.79 0.20 -0.46 -4.93 118.68 115.06 2w4y s LEU 6 Ca 0.26 0.44 -0.10 0.00 0.69 0.00 0.00 54.13 55.42 2w4y s LEU 6 Cb 0.07 0.51 -0.05 0.00 -0.43 0.00 0.00 46.19 46.29 2w4y s LEU 6 CO 0.04 -0.21 0.13 -0.89 -0.29 0.00 0.00 176.35 175.14 2w4y s THR 7 N 1.87 5.25 -0.42 3.68 2.01 -1.26 0.07 115.64 126.84 2w4y s THR 7 Ca -0.03 0.14 -0.12 0.00 0.31 0.00 0.00 61.69 61.99 2w4y s THR 7 Cb -0.12 -3.42 0.05 0.00 0.01 0.00 0.00 72.50 69.03 2w4y s THR 7 CO -0.07 0.40 0.28 -0.63 -0.69 0.00 0.00 174.62 173.91 2w4y s ILE 8 N 0.70 4.72 -0.63 1.82 1.01 0.35 -4.90 121.20 124.27 2w4y s ILE 8 Ca 0.07 -1.04 -0.19 0.00 0.00 0.00 0.00 60.65 59.49 2w4y s ILE 8 Cb -0.12 -3.75 0.11 0.00 0.01 0.00 0.00 42.46 38.71 2w4y s ILE 8 CO 0.01 -0.41 0.74 -0.89 0.00 0.00 0.00 174.94 174.40 2w4y s THR 9 N 1.55 4.85 0.30 2.92 2.01 -1.26 -0.48 115.64 125.53 2w4y s THR 9 Ca 0.03 -1.12 -0.30 0.00 0.31 0.00 0.00 61.69 60.62 2w4y s THR 9 Cb -0.21 -4.51 -0.11 0.00 0.01 0.00 0.00 72.50 67.67 2w4y s THR 9 CO 0.06 -1.15 1.55 -0.76 -0.69 0.00 0.00 174.62 173.62 2w4y s LEU 10 N 2.55 4.35 0.00 4.42 1.43 0.28 -1.61 118.68 130.10 2w4y s LEU 10 Ca 0.13 2.92 0.00 0.00 -1.03 0.00 0.00 54.13 56.16 2w4y s LEU 10 Cb -0.22 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.36 2w4y s LEU 10 CO 0.04 -0.87 0.00 0.61 0.23 0.00 0.00 176.35 176.36 2w4y n GLY 11 N 1.85 0.47 7.00 -3.19 0.00 -1.26 -1.21 105.19 108.85 2w4y n GLY 11 Ca 0.07 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2w4y n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2w4y n GLY 12 N -2.93 -0.11 3.55 -0.02 0.00 -0.63 -4.44 105.19 100.60 2w4y n GLY 12 Ca 0.00 -1.03 -0.50 0.00 0.00 0.00 0.00 46.02 44.49 2w4y n GLY 12 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2w4y n SER 13 N -1.77 0.92 0.00 1.61 2.88 -1.26 -0.35 113.62 115.65 2w4y n SER 13 Ca 0.00 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 2w4y n SER 13 Cb 0.00 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 2w4y n SER 13 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2w4y n GLY 14 N 1.96 0.71 0.00 0.46 0.00 -1.26 -5.00 105.19 102.06 2w4y n GLY 14 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2w4y n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2w4y n GLY 15 N -2.00 -0.28 3.56 -0.02 0.00 0.52 -4.99 105.19 101.98 2w4y n GLY 15 Ca 0.00 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 2w4y n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2w4y s THR 16 N 0.00 4.74 0.11 2.61 2.01 -0.35 -4.80 115.64 119.96 2w4y s THR 16 Ca 0.00 0.56 -0.30 0.00 0.31 0.00 0.00 61.69 62.25 2w4y s THR 16 Cb 0.00 -4.23 -0.06 0.00 0.01 0.00 0.00 72.50 68.22 2w4y s THR 16 CO 0.00 -0.55 1.12 0.00 -0.69 0.00 0.00 174.62 174.51 2w4y s ALA 17 N 3.08 3.35 -0.34 7.40 0.00 -1.26 -0.56 121.76 133.43 2w4y s ALA 17 Ca 0.28 0.79 0.02 0.00 0.00 0.00 0.00 51.96 53.06 2w4y s ALA 17 Cb -0.13 -3.39 0.10 0.00 0.00 0.00 0.00 23.12 19.71 2w4y s ALA 17 CO 0.19 -0.30 0.09 0.15 0.00 0.00 0.00 175.76 175.89 2w4y s LYS 18 N 0.35 1.16 -0.42 0.00 -0.14 0.36 -4.96 119.74 116.10 2w4y s LYS 18 Ca 0.53 -1.57 -0.24 0.00 -1.36 0.00 0.00 55.97 53.33 2w4y s LYS 18 Cb -0.28 -2.64 0.02 0.00 -1.68 0.00 0.00 37.83 33.25 2w4y s LYS 18 CO 0.32 -0.98 0.82 0.54 -0.76 0.00 0.00 175.35 175.29 2w4y s VAL 19 N 1.13 4.63 0.30 3.17 0.11 -1.26 -0.49 120.40 127.99 2w4y s VAL 19 Ca 0.11 0.68 -0.09 0.00 -2.93 0.00 0.00 61.98 59.75 2w4y s VAL 19 Cb -0.19 -4.31 -0.06 0.00 -1.53 0.00 0.00 36.38 30.29 2w4y s VAL 19 CO -0.15 -0.64 0.62 -0.76 -3.33 0.00 0.00 175.10 170.85 2w4y s LEU 20 N 3.34 4.03 -0.15 2.54 1.43 0.11 -4.88 118.68 125.11 2w4y s LEU 20 Ca 0.32 0.94 -0.08 0.00 -1.03 0.00 0.00 54.13 54.28 2w4y s LEU 20 Cb -0.12 -3.75 -0.04 0.00 0.03 0.00 0.00 46.19 42.30 2w4y s LEU 20 CO 0.21 -0.21 0.13 -0.13 0.23 0.00 0.00 176.35 176.59 2w4y s ARG 21 N -3.35 3.71 0.09 1.70 1.81 -0.36 -1.36 118.95 121.19 2w4y s ARG 21 Ca 0.48 -0.17 -0.31 0.00 -1.72 0.00 0.00 55.73 54.01 2w4y s ARG 21 Cb -0.11 -3.27 -0.07 0.00 -0.45 0.00 0.00 34.95 31.05 2w4y s ARG 21 CO 0.26 0.60 1.36 0.21 -0.68 0.00 0.00 175.30 177.06 2w4y s LYS 22 N -0.51 4.33 0.00 3.54 2.20 0.37 0.06 119.74 129.73 2w4y s LYS 22 Ca 0.12 2.01 0.01 0.00 -0.36 0.00 0.00 55.97 57.75 2w4y s LYS 22 Cb -0.12 -3.31 -0.01 0.00 -1.51 0.00 0.00 37.83 32.88 2w4y s LYS 22 CO 0.02 -0.43 0.09 0.44 -0.36 0.00 0.00 175.35 175.11 2w4y n ILE 23 N 4.05 0.00 -3.58 5.43 -5.35 0.54 -4.91 119.36 115.54 2w4y n ILE 23 Ca 0.11 -0.48 -0.09 0.00 -0.27 0.00 0.00 62.75 62.03 2w4y n ILE 23 Cb 0.43 1.00 -0.04 0.00 -1.74 0.00 0.00 39.64 39.29 2w4y n ILE 23 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2w4y s ASN 24 N -0.99 -0.31 -0.28 7.28 2.47 -1.15 -5.02 114.94 116.94 2w4y s ASN 24 Ca 0.00 0.29 0.01 0.00 0.42 0.00 0.00 52.86 53.58 2w4y s ASN 24 Cb 0.01 0.26 0.17 0.00 -1.45 0.00 0.00 41.25 40.24 2w4y s ASN 24 CO 0.04 -0.32 0.51 -1.58 -3.72 0.00 0.00 177.10 172.03 2w4y s GLN 25 N -1.38 0.49 -0.00 0.43 2.00 -1.25 -1.01 119.66 118.92 2w4y s GLN 25 Ca 0.01 0.59 -0.07 0.00 -2.00 0.00 0.00 55.36 53.89 2w4y s GLN 25 Cb -0.01 0.07 0.00 0.00 0.80 0.00 0.00 33.01 33.87 2w4y s GLN 25 CO -0.01 -0.84 0.13 -0.51 -0.50 0.00 0.00 175.29 173.56 2w4y s ASP 26 N 2.72 0.01 -1.47 6.67 1.01 -0.26 -4.91 116.67 120.44 2w4y s ASP 26 Ca 0.14 -0.16 -0.12 0.00 0.71 0.00 0.00 52.55 53.12 2w4y s ASP 26 Cb -0.13 0.21 0.06 0.00 1.01 0.00 0.00 42.92 44.07 2w4y s ASP 26 CO -0.23 -0.33 1.05 0.61 0.21 0.00 0.00 175.17 176.48 2w4y n GLY 27 N 1.66 -0.52 3.20 0.21 0.00 -1.26 -1.76 105.19 106.73 2w4y n GLY 27 Ca -0.21 0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2w4y n GLY 27 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2w4y n TYR 28 N -4.80 -2.15 -3.73 1.61 4.02 -1.26 -4.80 117.16 106.05 2w4y n TYR 28 Ca 0.03 0.85 -0.12 0.00 -0.01 0.00 0.00 57.90 58.65 2w4y n TYR 28 Cb 0.54 -4.64 -0.12 0.00 -0.02 0.00 0.00 39.34 35.10 2w4y n TYR 28 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2w4y s THR 29 N -3.30 -0.03 0.30 -0.72 2.01 -0.72 -2.18 115.64 110.99 2w4y s THR 29 Ca 0.19 0.10 0.10 0.00 0.31 0.00 0.00 61.69 62.39 2w4y s THR 29 Cb -0.09 -0.45 -0.05 0.00 0.01 0.00 0.00 72.50 71.93 2w4y s THR 29 CO 0.64 0.04 -0.02 -0.44 -0.69 0.00 0.00 174.62 174.14 2w4y s SER 30 N 1.01 4.28 -0.17 3.53 0.01 -0.32 -1.10 113.70 120.94 2w4y s SER 30 Ca -0.07 -0.82 -0.07 0.00 1.31 0.00 0.00 55.95 56.30 2w4y s SER 30 Cb -0.08 -0.65 0.07 0.00 0.21 0.00 0.00 66.02 65.57 2w4y s SER 30 CO -0.07 -0.08 0.38 -0.70 0.41 0.00 0.00 173.24 173.17 2w4y s GLU 31 N -3.67 0.31 0.19 12.44 2.12 -0.18 -2.16 118.70 127.75 2w4y s GLU 31 Ca 0.33 0.86 0.10 0.00 0.36 0.00 0.00 54.97 56.61 2w4y s GLU 31 Cb -0.04 0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.41 2w4y s GLU 31 CO 0.19 -0.21 -0.13 0.71 -0.54 0.00 0.00 175.26 175.28 2w4y s TYR 32 N 2.02 2.54 -0.07 5.30 1.51 0.25 -0.34 117.35 128.57 2w4y s TYR 32 Ca -0.05 -0.26 -0.16 0.00 -1.01 0.00 0.00 57.07 55.59 2w4y s TYR 32 Cb -0.11 -1.23 0.03 0.00 -0.11 0.00 0.00 41.96 40.55 2w4y s TYR 32 CO -0.12 0.53 0.38 -0.47 -1.11 0.00 0.00 175.55 174.76 2w4y s TYR 33 N -1.77 -0.32 -0.29 2.71 5.04 0.11 -2.04 117.35 120.78 2w4y s TYR 33 Ca 0.25 0.64 0.00 0.00 -2.44 0.00 0.00 57.07 55.52 2w4y s TYR 33 Cb -0.08 0.15 0.14 0.00 0.35 0.00 0.00 41.96 42.52 2w4y s TYR 33 CO 0.14 -0.35 0.32 -1.17 -1.34 0.00 0.00 175.55 173.15 2w4y s LEU 34 N -0.79 -0.36 0.27 6.97 2.96 -0.01 -1.23 118.68 126.50 2w4y s LEU 34 Ca -0.09 -0.71 -0.21 0.00 -0.22 0.00 0.00 54.13 52.90 2w4y s LEU 34 Cb -0.04 0.64 -0.09 0.00 0.50 0.00 0.00 46.19 47.21 2w4y s LEU 34 CO 0.04 -0.38 0.79 -2.16 -1.32 0.00 0.00 176.35 173.32 2w4y s PRO 35 N 2.36 4.32 0.24 0.98 0.04 -1.26 -0.84 135.00 140.84 2w4y s PRO 35 Ca 0.10 0.99 0.01 0.00 0.04 0.00 0.00 61.00 62.14 2w4y s PRO 35 Cb -0.14 -2.80 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 2w4y s PRO 35 CO -0.31 0.33 0.14 -1.21 0.04 0.00 0.00 177.00 175.98 2w4y s GLU 36 N -2.12 1.37 0.16 4.56 2.02 -0.22 -4.96 118.70 119.50 2w4y s GLU 36 Ca 0.47 -1.74 -0.20 0.00 0.02 0.00 0.00 54.97 53.51 2w4y s GLU 36 Cb -0.16 0.05 0.07 0.00 0.10 0.00 0.00 34.13 34.19 2w4y s GLU 36 CO 0.21 -0.39 1.63 1.79 0.02 0.00 0.00 175.26 178.53 2w4y h THR 37 N 2.45 0.42 0.00 3.63 1.35 -2.02 -3.29 112.91 115.45 2w4y h THR 37 Ca -0.35 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2w4y h THR 37 Cb 1.25 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 2w4y h THR 37 CO 0.54 0.00 -1.67 -1.54 -0.25 0.00 0.00 175.52 172.60 2w4y n SER 38 N -5.37 0.83 -3.89 5.36 3.41 -1.26 -5.01 113.62 107.69 2w4y n SER 38 Ca 0.01 -0.15 -0.09 0.00 -0.26 0.00 0.00 58.87 58.38 2w4y n SER 38 Cb 0.28 1.69 -0.04 0.00 -0.26 0.00 0.00 64.21 65.89 2w4y n SER 38 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2w4y s SER 39 N -3.86 -0.10 0.03 4.04 1.04 -1.24 -2.18 113.70 111.43 2w4y s SER 39 Ca -0.04 -0.87 0.01 0.00 0.48 0.00 0.00 55.95 55.53 2w4y s SER 39 Cb 0.12 0.64 -0.02 0.00 0.10 0.00 0.00 66.02 66.86 2w4y s SER 39 CO 0.75 -1.23 -0.06 -0.94 0.98 0.00 0.00 173.24 172.75 2w4y s SER 40 N -3.00 0.62 0.01 7.02 1.04 -0.35 -1.06 113.70 117.98 2w4y s SER 40 Ca 0.19 -0.49 0.04 0.00 0.48 0.00 0.00 55.95 56.18 2w4y s SER 40 Cb -0.02 0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.11 2w4y s SER 40 CO 0.09 -0.21 -0.10 -0.36 0.98 0.00 0.00 173.24 173.64 2w4y s PHE 41 N -1.28 2.78 -0.12 5.02 0.40 -0.02 -0.41 117.98 124.34 2w4y s PHE 41 Ca -0.11 -0.11 -0.07 0.00 -0.60 0.00 0.00 56.93 56.05 2w4y s PHE 41 Cb -0.09 -1.57 0.05 0.00 0.51 0.00 0.00 43.02 41.92 2w4y s PHE 41 CO -0.00 0.33 0.30 0.50 0.70 0.00 0.00 175.22 177.04 2w4y s ARG 42 N -1.40 0.27 -0.02 0.44 3.52 -0.70 -0.83 118.95 120.23 2w4y s ARG 42 Ca 0.16 0.59 0.08 0.00 -0.13 0.00 0.00 55.73 56.43 2w4y s ARG 42 Cb -0.11 -0.08 -0.02 0.00 -1.56 0.00 0.00 34.95 33.19 2w4y s ARG 42 CO 0.07 -0.15 -0.24 0.00 -0.81 0.00 0.00 175.30 174.16 2w4y s ALA 43 N 1.23 2.02 0.00 6.12 0.00 -0.86 -0.67 121.76 129.60 2w4y s ALA 43 Ca -0.09 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 50.85 2w4y s ALA 43 Cb -0.09 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 2w4y s ALA 43 CO -0.09 0.50 -0.10 0.15 0.00 0.00 0.00 175.76 176.21 2w4y s LYS 44 N -0.60 0.78 -0.10 0.00 1.02 -0.47 -0.59 119.74 119.78 2w4y s LYS 44 Ca 0.09 -0.43 0.03 0.00 0.02 0.00 0.00 55.97 55.69 2w4y s LYS 44 Cb -0.09 -0.75 0.00 0.00 -0.52 0.00 0.00 37.83 36.47 2w4y s LYS 44 CO -0.01 0.20 -0.21 0.08 -0.92 0.00 0.00 175.35 174.49 2w4y s VAL 45 N -0.38 1.87 -0.01 3.17 1.01 -0.92 -0.88 120.40 124.26 2w4y s VAL 45 Ca 0.03 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.12 2w4y s VAL 45 Cb -0.05 -1.64 -0.00 0.00 0.00 0.00 0.00 36.38 34.69 2w4y s VAL 45 CO -0.00 0.52 -0.07 -0.13 0.00 0.00 0.00 175.10 175.42 2w4y s ARG 46 N 0.49 0.59 -0.06 2.72 0.52 0.02 -1.18 118.95 122.05 2w4y s ARG 46 Ca -0.16 -0.25 0.05 0.00 -0.52 0.00 0.00 55.73 54.85 2w4y s ARG 46 Cb -0.17 -0.57 -0.00 0.00 0.52 0.00 0.00 34.95 34.72 2w4y s ARG 46 CO 0.06 0.14 -0.21 -1.01 0.02 0.00 0.00 175.30 174.30 2w4y s HIS 47 N -0.11 2.15 0.10 -0.53 3.76 -0.93 -0.20 115.29 119.52 2w4y s HIS 47 Ca 0.02 -0.69 0.03 0.00 -0.15 0.00 0.00 55.06 54.27 2w4y s HIS 47 Cb -0.03 -1.43 -0.04 0.00 1.11 0.00 0.00 32.58 32.19 2w4y s HIS 47 CO -0.00 -0.24 -0.09 0.99 -0.85 0.00 0.00 174.74 174.54 2w4y s THR 48 N 0.06 0.90 -0.25 1.30 2.01 -0.11 -4.89 115.64 114.66 2w4y s THR 48 Ca -0.07 -1.77 0.02 0.00 0.31 0.00 0.00 61.69 60.17 2w4y s THR 48 Cb -0.14 -1.50 0.06 0.00 0.01 0.00 0.00 72.50 70.94 2w4y s THR 48 CO 0.04 -0.67 -0.06 -0.75 -0.69 0.00 0.00 174.62 172.49 2w4y s LYS 49 N -3.18 1.78 0.79 4.92 2.20 -1.26 -0.95 119.74 124.03 2w4y s LYS 49 Ca 0.08 -1.14 -0.14 0.00 -0.36 0.00 0.00 55.97 54.42 2w4y s LYS 49 Cb -0.00 -2.69 0.07 0.00 -1.51 0.00 0.00 37.83 33.70 2w4y s LYS 49 CO -0.01 -0.61 1.19 0.39 -0.36 0.00 0.00 175.35 175.95 2w4y n GLU 50 N 4.58 0.28 -1.46 4.03 1.02 -0.23 -4.83 120.64 124.03 2w4y n GLU 50 Ca -0.12 0.17 -0.48 0.00 -0.02 0.00 0.00 57.16 56.71 2w4y n GLU 50 Cb 0.43 -2.43 -0.07 0.00 -0.02 0.00 0.00 31.44 29.35 2w4y n GLU 50 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2w4y n SER 51 N -3.06 1.99 -4.67 1.62 3.41 -1.26 -4.66 113.62 107.00 2w4y n SER 51 Ca 0.14 0.29 -0.42 0.00 -0.26 0.00 0.00 58.87 58.61 2w4y n SER 51 Cb 0.50 -1.27 -0.03 0.00 -0.26 0.00 0.00 64.21 63.15 2w4y n SER 51 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2w4y s VAL 52 N 8.02 3.10 0.11 -3.33 1.01 -1.26 -4.94 120.40 123.11 2w4y s VAL 52 Ca 1.11 0.22 0.10 0.00 0.00 0.00 0.00 61.98 63.40 2w4y s VAL 52 Cb -0.81 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2w4y s VAL 52 CO 0.46 -0.02 -0.24 -0.54 0.00 0.00 0.00 175.10 174.77 2w4y s LYS 53 N 4.03 1.32 0.00 2.72 1.02 -1.26 -5.10 119.74 122.47 2w4y s LYS 53 Ca 0.83 -1.23 0.00 0.00 0.02 0.00 0.00 55.97 55.59 2w4y s LYS 53 Cb -0.41 -1.68 0.00 0.00 -0.52 0.00 0.00 37.83 35.23 2w4y s LYS 53 CO 0.37 0.40 0.00 -2.30 -0.92 0.00 0.00 175.35 172.90 2w4y n PRO 54 N 1.12 0.00 -3.03 -1.68 -0.02 -1.26 -2.71 135.00 127.42 2w4y n PRO 54 Ca -0.18 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 60.89 2w4y n PRO 54 Cb 0.53 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 34.01 2w4y n PRO 54 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2w4y n ASN 55 N 0.00 6.10 -3.73 2.55 3.02 -1.26 -4.97 115.26 116.97 2w4y n ASN 55 Ca 0.00 -3.45 -0.10 0.00 -0.03 0.00 0.00 54.58 51.00 2w4y n ASN 55 Cb 0.00 -1.16 -0.05 0.00 -0.61 0.00 0.00 39.78 37.96 2w4y n ASN 55 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2w4y s GLN 56 N -2.92 1.10 0.37 3.52 -0.21 -1.10 -5.15 119.66 115.28 2w4y s GLN 56 Ca 0.33 -0.84 -0.25 0.00 0.02 0.00 0.00 55.36 54.63 2w4y s GLN 56 Cb 0.08 0.45 -0.09 0.00 1.00 0.00 0.00 33.01 34.45 2w4y s GLN 56 CO 0.07 -0.42 1.03 0.08 -2.12 0.00 0.00 175.29 173.92 2w4y s VAL 57 N -3.85 3.82 -0.22 1.09 1.01 -1.26 -4.72 120.40 116.27 2w4y s VAL 57 Ca 0.06 1.44 -0.09 0.00 0.00 0.00 0.00 61.98 63.40 2w4y s VAL 57 Cb 0.02 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2w4y s VAL 57 CO -0.09 0.06 0.11 -1.58 0.00 0.00 0.00 175.10 173.60 2w4y s GLN 58 N -2.34 3.95 0.32 2.72 0.74 -1.26 -4.84 119.66 118.96 2w4y s GLN 58 Ca 0.55 -0.34 0.07 0.00 0.05 0.00 0.00 55.36 55.70 2w4y s GLN 58 Cb -0.22 -3.38 -0.03 0.00 1.10 0.00 0.00 33.01 30.48 2w4y s GLN 58 CO 0.27 0.09 0.30 0.71 -0.55 0.00 0.00 175.29 176.11 2w4y s TYR 59 N 0.93 2.97 0.02 1.67 1.51 -1.26 -0.78 117.35 122.41 2w4y s TYR 59 Ca 0.06 -0.26 0.06 0.00 -1.01 0.00 0.00 57.07 55.91 2w4y s TYR 59 Cb -0.13 -1.76 -0.02 0.00 -0.11 0.00 0.00 41.96 39.93 2w4y s TYR 59 CO 0.03 0.21 -0.16 -1.21 -1.11 0.00 0.00 175.55 173.31 2w4y s GLU 60 N -4.00 1.18 -0.03 -0.62 2.02 0.29 -1.07 118.70 116.48 2w4y s GLU 60 Ca 0.40 -0.74 0.05 0.00 0.02 0.00 0.00 54.97 54.70 2w4y s GLU 60 Cb -0.07 -1.20 -0.03 0.00 0.10 0.00 0.00 34.13 32.94 2w4y s GLU 60 CO 0.27 0.31 -0.15 1.03 0.02 0.00 0.00 175.26 176.74 2w4y s ARG 61 N -0.88 2.39 -0.09 1.61 0.52 -0.13 -2.37 118.95 120.00 2w4y s ARG 61 Ca 0.05 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.49 2w4y s ARG 61 Cb -0.07 -2.32 0.02 0.00 0.52 0.00 0.00 34.95 33.10 2w4y s ARG 61 CO 0.01 0.60 -0.08 -1.01 0.02 0.00 0.00 175.30 174.84 2w4y s HIS 62 N -0.78 1.33 0.03 -0.53 3.76 0.71 -0.93 115.29 118.89 2w4y s HIS 62 Ca 0.12 -0.58 0.05 0.00 -0.15 0.00 0.00 55.06 54.50 2w4y s HIS 62 Cb -0.11 -1.10 -0.02 0.00 1.11 0.00 0.00 32.58 32.47 2w4y s HIS 62 CO 0.02 -0.40 -0.16 1.21 -0.85 0.00 0.00 174.74 174.56 2w4y s ASN 63 N 1.37 1.88 -0.03 1.40 3.84 0.72 -0.15 114.94 123.96 2w4y s ASN 63 Ca -0.02 -0.44 0.01 0.00 0.21 0.00 0.00 52.86 52.62 2w4y s ASN 63 Cb -0.14 -0.15 0.02 0.00 -0.55 0.00 0.00 41.25 40.44 2w4y s ASN 63 CO -0.04 0.09 -0.04 -0.69 -2.79 0.00 0.00 177.10 173.63 2w4y s VAL 64 N -0.75 0.45 -0.03 -5.21 1.01 -0.66 -0.80 120.40 114.40 2w4y s VAL 64 Ca 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 2w4y s VAL 64 Cb -0.08 -0.47 0.03 0.00 0.00 0.00 0.00 36.38 35.86 2w4y s VAL 64 CO 0.01 0.19 0.05 -0.70 0.00 0.00 0.00 175.10 174.65 2w4y s GLU 65 N 0.71 -0.04 -0.09 2.72 2.12 -0.06 -0.63 118.70 123.43 2w4y s GLU 65 Ca -0.09 0.30 -0.11 0.00 0.36 0.00 0.00 54.97 55.43 2w4y s GLU 65 Cb -0.12 -0.42 -0.05 0.00 0.26 0.00 0.00 34.13 33.80 2w4y s GLU 65 CO -0.00 -0.27 0.26 -0.06 -0.54 0.00 0.00 175.26 174.65 2w4y s PHE 66 N 1.74 3.62 -0.21 5.30 0.08 0.24 -1.37 117.98 127.37 2w4y s PHE 66 Ca -0.01 0.69 -0.04 0.00 0.12 0.00 0.00 56.93 57.70 2w4y s PHE 66 Cb -0.12 -2.13 0.09 0.00 -0.57 0.00 0.00 43.02 40.29 2w4y s PHE 66 CO -0.03 0.61 0.22 0.99 -0.10 0.00 0.00 175.22 176.91 2w4y s THR 67 N -0.76 -0.32 -0.08 0.64 2.01 0.16 -1.90 115.64 115.38 2w4y s THR 67 Ca 0.18 -0.14 -0.16 0.00 0.31 0.00 0.00 61.69 61.88 2w4y s THR 67 Cb -0.14 -0.69 -0.05 0.00 0.01 0.00 0.00 72.50 71.63 2w4y s THR 67 CO 0.07 -0.22 0.41 -0.70 -0.69 0.00 0.00 174.62 173.48 2w4y s GLU 68 N 2.32 4.15 -0.23 4.92 2.12 -0.24 -1.72 118.70 130.02 2w4y s GLU 68 Ca 0.07 0.35 0.01 0.00 0.36 0.00 0.00 54.97 55.76 2w4y s GLU 68 Cb -0.16 -3.35 0.04 0.00 0.26 0.00 0.00 34.13 30.92 2w4y s GLU 68 CO -0.13 0.39 -0.12 0.99 -0.54 0.00 0.00 175.26 175.85 2w4y s THR 69 N -0.09 2.41 -0.28 -1.70 2.01 0.45 -1.07 115.64 117.36 2w4y s THR 69 Ca 0.23 -1.21 -0.17 0.00 0.31 0.00 0.00 61.69 60.85 2w4y s THR 69 Cb -0.15 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 2w4y s THR 69 CO 0.10 0.22 0.48 -0.69 -0.69 0.00 0.00 174.62 174.04 2w4y s VAL 70 N 1.24 5.08 0.59 3.82 1.01 -0.05 -1.22 120.40 130.87 2w4y s VAL 70 Ca -0.02 0.69 -0.18 0.00 0.00 0.00 0.00 61.98 62.48 2w4y s VAL 70 Cb -0.17 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 2w4y s VAL 70 CO -0.07 0.03 1.15 -0.31 0.00 0.00 0.00 175.10 175.90 2w4y s TYR 71 N 2.28 2.55 0.31 5.22 4.12 -0.93 -2.02 117.35 128.89 2w4y s TYR 71 Ca 0.19 1.54 -0.28 0.00 0.02 0.00 0.00 57.07 58.55 2w4y s TYR 71 Cb -0.16 -3.32 -0.13 0.00 -1.52 0.00 0.00 41.96 36.83 2w4y s TYR 71 CO 0.10 -1.81 1.09 0.00 0.02 0.00 0.00 175.55 174.95 2w4y n ALA 72 N -1.70 0.25 -3.60 3.71 0.00 -1.26 -4.70 120.51 113.21 2w4y n ALA 72 Ca 0.12 0.37 -0.29 0.00 0.00 0.00 0.00 53.44 53.64 2w4y n ALA 72 Cb 0.51 -2.09 -0.13 0.00 0.00 0.00 0.00 19.45 17.73 2w4y n ALA 72 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2w4y s SER 73 N -0.50 3.43 1.57 0.00 0.15 0.13 -4.91 113.70 113.58 2w4y s SER 73 Ca 0.58 -2.13 0.00 0.00 0.70 0.00 0.00 55.95 55.10 2w4y s SER 73 Cb -0.65 -0.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.98 2w4y s SER 73 CO 0.61 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.33 2w4y n GLY 74 N 4.16 2.19 0.19 9.45 0.00 -1.26 -2.51 105.19 117.40 2w4y n GLY 74 Ca 0.06 -0.36 -0.06 0.00 0.00 0.00 0.00 46.02 45.67 2w4y n GLY 74 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2w4y h SER 75 N 0.00 0.34 -2.00 1.61 4.64 -2.04 -3.42 113.55 112.69 2w4y h SER 75 Ca 0.00 0.02 -0.59 0.00 -0.47 0.00 0.00 61.79 60.75 2w4y h SER 75 Cb 0.00 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.05 2w4y h SER 75 CO 0.00 0.24 1.31 0.41 -0.87 0.00 0.00 176.83 177.92 2w4y n THR 76 N -4.90 0.52 -1.44 2.95 -1.04 -1.04 -4.98 114.28 104.34 2w4y n THR 76 Ca 0.03 -0.25 -0.25 0.00 -2.04 0.00 0.00 64.05 61.54 2w4y n THR 76 Cb 0.11 -2.21 0.19 0.00 -1.82 0.00 0.00 70.33 66.60 2w4y n THR 76 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2w4y n PRO 77 N 7.78 -1.81 -2.91 -2.82 -0.04 -1.26 0.21 135.00 134.15 2w4y n PRO 77 Ca 0.26 -1.63 -0.36 0.00 -0.04 0.00 0.00 63.50 61.74 2w4y n PRO 77 Cb 0.37 -1.25 -0.06 0.00 -0.04 0.00 0.00 33.50 32.52 2w4y n PRO 77 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2w4y s GLU 78 N -5.31 4.38 0.24 0.54 2.12 -1.26 -4.34 118.70 115.06 2w4y s GLU 78 Ca 0.62 1.10 -0.15 0.00 0.36 0.00 0.00 54.97 56.90 2w4y s GLU 78 Cb -0.03 -2.69 0.01 0.00 0.26 0.00 0.00 34.13 31.67 2w4y s GLU 78 CO 0.45 0.26 0.52 -0.59 -0.54 0.00 0.00 175.26 175.35 2w4y s PHE 79 N -1.71 0.18 0.43 5.30 -0.12 -0.86 -4.92 117.98 116.28 2w4y s PHE 79 Ca 0.50 -0.55 0.04 0.00 -0.05 0.00 0.00 56.93 56.86 2w4y s PHE 79 Cb -0.16 0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.49 2w4y s PHE 79 CO 0.21 -1.00 0.05 0.14 -0.05 0.00 0.00 175.22 174.56 2w4y s VAL 80 N -3.97 1.22 -0.09 -2.49 -7.23 -1.26 -0.88 120.40 105.70 2w4y s VAL 80 Ca 0.18 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.32 2w4y s VAL 80 Cb -0.01 -2.52 0.04 0.00 0.56 0.00 0.00 36.38 34.45 2w4y s VAL 80 CO 0.06 0.00 0.07 -0.13 -0.31 0.00 0.00 175.10 174.79 2w4y s ARG 81 N -3.80 -0.00 0.12 4.82 0.52 -0.23 -4.97 118.95 115.41 2w4y s ARG 81 Ca 0.23 0.19 0.09 0.00 -0.52 0.00 0.00 55.73 55.72 2w4y s ARG 81 Cb 0.05 -1.03 -0.04 0.00 0.52 0.00 0.00 34.95 34.45 2w4y s ARG 81 CO 0.12 -0.46 -0.23 -0.65 0.02 0.00 0.00 175.30 174.10 2w4y s GLN 82 N 2.15 1.25 -0.15 3.54 -0.21 -1.26 -1.08 119.66 123.91 2w4y s GLN 82 Ca 0.04 -1.27 -0.06 0.00 0.02 0.00 0.00 55.36 54.08 2w4y s GLN 82 Cb -0.14 -1.57 0.07 0.00 1.00 0.00 0.00 33.01 32.37 2w4y s GLN 82 CO -0.05 0.36 0.34 0.00 -2.12 0.00 0.00 175.29 173.81 2w4y s ALA 83 N -1.27 -0.83 0.05 6.09 0.00 -0.80 -5.02 121.76 119.99 2w4y s ALA 83 Ca 0.11 1.24 -0.09 0.00 0.00 0.00 0.00 51.96 53.21 2w4y s ALA 83 Cb -0.09 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.03 2w4y s ALA 83 CO 0.05 -0.50 0.20 1.52 0.00 0.00 0.00 175.76 177.04 2w4y s TYR 84 N 2.00 0.06 0.16 0.00 -0.85 -1.26 -0.59 117.35 116.87 2w4y s TYR 84 Ca -0.04 -0.31 0.10 0.00 -0.52 0.00 0.00 57.07 56.30 2w4y s TYR 84 Cb -0.11 -0.03 -0.04 0.00 0.38 0.00 0.00 41.96 42.16 2w4y s TYR 84 CO -0.11 -0.45 -0.21 0.08 -1.52 0.00 0.00 175.55 173.34 2w4y s VAL 85 N -2.74 2.01 -0.02 -3.49 1.01 0.20 -4.98 120.40 112.39 2w4y s VAL 85 Ca -0.04 -1.87 0.01 0.00 0.00 0.00 0.00 61.98 60.07 2w4y s VAL 85 Cb -0.00 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.50 2w4y s VAL 85 CO -0.05 -0.17 -0.01 -0.69 0.00 0.00 0.00 175.10 174.17 2w4y s VAL 86 N -1.69 0.24 -0.08 2.92 1.01 -1.26 -1.66 120.40 119.89 2w4y s VAL 86 Ca 0.16 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.17 2w4y s VAL 86 Cb -0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 36.00 2w4y s VAL 86 CO 0.07 0.13 -0.21 -0.63 0.00 0.00 0.00 175.10 174.47 2w4y s ILE 87 N 0.67 2.40 -0.03 2.22 -1.09 0.79 -4.95 121.20 121.21 2w4y s ILE 87 Ca -0.07 -0.92 0.01 0.00 -2.23 0.00 0.00 60.65 57.44 2w4y s ILE 87 Cb -0.10 -1.93 0.01 0.00 -1.58 0.00 0.00 42.46 38.87 2w4y s ILE 87 CO -0.01 0.56 -0.05 -0.60 -1.23 0.00 0.00 174.94 173.61 2w4y s ARG 88 N 0.00 0.73 0.20 2.79 3.52 -1.26 -0.20 118.95 124.73 2w4y s ARG 88 Ca -0.07 -0.14 -0.18 0.00 -0.13 0.00 0.00 55.73 55.21 2w4y s ARG 88 Cb -0.15 -0.73 0.03 0.00 -1.56 0.00 0.00 34.95 32.54 2w4y s ARG 88 CO 0.05 -0.01 0.56 -3.38 -0.81 0.00 0.00 175.30 171.70 2w4y s HIS 89 N 0.60 -0.16 0.47 5.12 -3.43 -1.00 -4.98 115.29 111.91 2w4y s HIS 89 Ca -0.08 -0.19 -0.12 0.00 -0.80 0.00 0.00 55.06 53.88 2w4y s HIS 89 Cb -0.11 0.45 -0.06 0.00 -1.43 0.00 0.00 32.58 31.42 2w4y s HIS 89 CO 0.00 -0.96 0.86 -1.59 -2.00 0.00 0.00 174.74 171.05 2w4y s LYS 90 N -3.87 3.78 0.24 -0.38 -2.85 -1.26 -0.54 119.74 114.85 2w4y s LYS 90 Ca 0.09 0.60 -0.31 0.00 -1.00 0.00 0.00 55.97 55.35 2w4y s LYS 90 Cb -0.02 -2.28 -0.11 0.00 -2.06 0.00 0.00 37.83 33.36 2w4y s LYS 90 CO -0.02 -0.18 1.62 0.08 0.10 0.00 0.00 175.35 176.95 2w4y s VAL 91 N -2.58 2.20 0.00 1.79 1.01 0.04 -2.21 120.40 120.64 2w4y s VAL 91 Ca 0.53 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.67 2w4y s VAL 91 Cb -0.10 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.18 2w4y s VAL 91 CO 0.35 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.08 2w4y n GLY 92 N 3.09 1.48 3.44 4.51 0.00 -1.26 -4.98 105.19 111.47 2w4y n GLY 92 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2w4y n GLY 92 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2w4y n ASP 93 N 0.00 -1.60 -4.57 1.61 -0.08 -0.94 -4.90 116.55 106.06 2w4y n ASP 93 Ca 0.00 0.03 -0.43 0.00 -1.51 0.00 0.00 54.79 52.88 2w4y n ASP 93 Cb 0.00 -1.21 -0.04 0.00 2.34 0.00 0.00 41.12 42.21 2w4y n ASP 93 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2w4y s VAL 94 N -2.40 4.55 0.18 5.18 1.01 -1.26 -4.95 120.40 122.71 2w4y s VAL 94 Ca 0.63 0.83 -0.23 0.00 0.00 0.00 0.00 61.98 63.21 2w4y s VAL 94 Cb -0.21 -4.37 0.09 0.00 0.00 0.00 0.00 36.38 31.90 2w4y s VAL 94 CO 0.65 -0.70 1.57 -1.28 0.00 0.00 0.00 175.10 175.34 2w4y h SER 95 N 8.86 -1.35 -0.74 3.32 0.87 -1.99 -1.14 113.55 121.38 2w4y h SER 95 Ca -0.24 0.24 0.16 0.00 -1.23 0.00 0.00 61.79 60.73 2w4y h SER 95 Cb 1.08 0.64 -0.13 0.00 -0.44 0.00 0.00 62.40 63.55 2w4y h SER 95 CO 1.00 -0.32 -0.05 0.00 -0.53 0.00 0.00 176.83 176.93 2w4y h ALA 96 N 0.86 0.69 0.27 6.23 0.00 -1.98 0.39 119.26 125.71 2w4y h ALA 96 Ca 0.22 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 2w4y h ALA 96 Cb 0.56 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2w4y h ALA 96 CO -0.71 -0.42 -0.13 1.15 0.00 0.00 0.00 179.25 179.13 2w4y h THR 97 N 0.07 0.76 -0.03 0.00 2.02 -1.66 -1.45 112.91 112.62 2w4y h THR 97 Ca 0.39 -0.15 0.02 0.00 0.77 0.00 0.00 66.41 67.45 2w4y h THR 97 Cb 0.67 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 2w4y h THR 97 CO -0.68 0.03 -0.10 0.58 0.37 0.00 0.00 175.52 175.72 2w4y h VAL 98 N -0.43 0.73 -0.97 3.16 2.07 -0.43 -1.91 116.25 118.46 2w4y h VAL 98 Ca -0.04 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.69 2w4y h VAL 98 Cb 0.33 0.73 -0.11 0.00 -1.52 0.00 0.00 31.29 30.72 2w4y h VAL 98 CO 0.06 0.00 0.56 -1.28 0.02 0.00 0.00 177.57 176.93 2w4y h SER 99 N -0.16 0.66 -0.56 0.57 0.87 -0.13 0.10 113.55 114.90 2w4y h SER 99 Ca 0.05 0.12 0.05 0.00 -1.23 0.00 0.00 61.79 60.78 2w4y h SER 99 Cb 0.23 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 2w4y h SER 99 CO -0.13 0.18 0.37 0.44 -0.53 0.00 0.00 176.83 177.16 2w4y h ASP 100 N 0.64 0.49 -0.32 6.23 3.32 -0.43 0.77 116.42 127.13 2w4y h ASP 100 Ca 0.59 -0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.46 2w4y h ASP 100 Cb 1.01 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.45 2w4y h ASP 100 CO -0.43 0.33 -0.48 0.25 -1.72 0.00 0.00 179.24 177.19 2w4y h LEU 101 N 0.57 0.98 -0.39 1.55 5.85 -0.87 -0.50 115.31 122.49 2w4y h LEU 101 Ca 0.23 -0.49 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 2w4y h LEU 101 Cb 0.21 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2w4y h LEU 101 CO -0.07 1.29 0.10 1.23 -0.34 0.00 0.00 178.44 180.66 2w4y h GLY 102 N 0.74 0.67 1.07 3.75 0.00 -1.02 -1.53 103.07 106.75 2w4y h GLY 102 Ca 0.04 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 46.97 2w4y h GLY 102 CO 0.11 0.39 0.59 0.83 0.00 0.00 0.00 176.54 178.46 2w4y h GLU 103 N 0.49 1.13 -0.76 4.80 5.08 -0.79 -0.54 114.58 124.00 2w4y h GLU 103 Ca 0.12 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2w4y h GLU 103 Cb 0.29 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 2w4y h GLU 103 CO -0.00 0.75 0.44 0.00 -1.00 0.00 0.00 179.01 179.20 2w4y h ALA 104 N 1.46 0.98 -0.12 3.43 0.00 -0.54 -0.59 119.26 123.87 2w4y h ALA 104 Ca 0.34 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2w4y h ALA 104 Cb -0.07 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 2w4y h ALA 104 CO -0.09 0.47 -0.05 1.25 0.00 0.00 0.00 179.25 180.83 2w4y h LEU 105 N 1.05 0.26 -0.67 0.00 5.85 -0.35 -0.67 115.31 120.77 2w4y h LEU 105 Ca 0.27 -0.40 0.06 0.00 0.84 0.00 0.00 57.88 58.65 2w4y h LEU 105 Cb 0.00 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 2w4y h LEU 105 CO -0.05 0.61 0.37 0.28 -0.34 0.00 0.00 178.44 179.31 2w4y h SER 106 N -0.09 0.55 -0.71 1.25 0.02 -0.95 -0.07 113.55 113.56 2w4y h SER 106 Ca 0.03 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 2w4y h SER 106 Cb 0.51 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 2w4y h SER 106 CO 0.02 0.35 0.29 0.15 -1.14 0.00 0.00 176.83 176.51 2w4y h PHE 107 N 0.69 1.07 -0.29 3.45 3.57 -1.02 -2.99 116.94 121.42 2w4y h PHE 107 Ca 0.30 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 2w4y h PHE 107 Cb 0.20 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 2w4y h PHE 107 CO -0.08 0.82 0.09 -0.92 -2.23 0.00 0.00 178.31 176.00 2w4y h TYR 108 N 1.01 0.47 -0.99 0.41 3.20 -0.24 -3.38 116.97 117.45 2w4y h TYR 108 Ca 0.24 -0.05 -0.54 0.00 3.14 0.00 0.00 58.73 61.53 2w4y h TYR 108 Cb 0.20 -0.14 -0.09 0.00 1.54 0.00 0.00 36.73 38.24 2w4y h TYR 108 CO 0.01 0.49 1.39 -0.51 -1.64 0.00 0.00 178.16 177.91 2w4y s LEU 109 N -9.73 3.45 0.00 2.82 1.43 -0.12 -4.81 118.68 111.72 2w4y s LEU 109 Ca -0.13 -1.39 0.03 0.00 -1.03 0.00 0.00 54.13 51.61 2w4y s LEU 109 Cb 0.08 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 43.77 2w4y s LEU 109 CO 0.74 -1.78 0.25 -0.46 0.23 0.00 0.00 176.35 175.33 2w4y n ASN 110 N 10.06 2.86 -0.09 2.29 0.23 -1.26 -4.90 115.26 124.45 2w4y n ASN 110 Ca 0.36 -2.87 -0.07 0.00 -0.53 0.00 0.00 54.58 51.48 2w4y n ASN 110 Cb 0.50 0.09 -0.00 0.00 -2.08 0.00 0.00 39.78 38.28 2w4y n ASN 110 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2w4y h GLU 111 N 0.00 -0.16 -0.53 -3.83 4.81 -1.98 -0.55 114.58 112.35 2w4y h GLU 111 Ca -0.35 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.00 2w4y h GLU 111 Cb 1.18 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 30.51 2w4y h GLU 111 CO 0.56 -0.10 -0.04 0.00 -0.73 0.00 0.00 179.01 178.70 2w4y h ALA 112 N 1.02 0.47 -0.52 2.92 0.00 -1.96 -0.70 119.26 120.48 2w4y h ALA 112 Ca 0.17 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 2w4y h ALA 112 Cb 0.42 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2w4y h ALA 112 CO -0.43 -0.40 0.07 1.25 0.00 0.00 0.00 179.25 179.74 2w4y h LEU 113 N 0.08 0.85 -0.98 0.00 5.85 -1.65 -2.58 115.31 116.88 2w4y h LEU 113 Ca 0.27 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2w4y h LEU 113 Cb 0.42 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 2w4y h LEU 113 CO -0.48 0.90 0.36 1.88 -0.34 0.00 0.00 178.44 180.77 2w4y h TYR 114 N 0.76 1.09 -0.19 1.25 -1.99 -0.55 -1.24 116.97 116.10 2w4y h TYR 114 Ca 0.16 -0.05 0.05 0.00 2.00 0.00 0.00 58.73 60.89 2w4y h TYR 114 Cb 0.43 -0.34 -0.06 0.00 2.00 0.00 0.00 36.73 38.76 2w4y h TYR 114 CO 0.03 0.79 -0.20 0.78 -0.00 0.00 0.00 178.16 179.57 2w4y h GLY 115 N 1.13 -0.11 0.84 3.88 0.00 -0.77 -0.63 103.07 107.40 2w4y h GLY 115 Ca 0.26 0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.87 2w4y h GLY 115 CO -0.03 -0.18 0.34 0.50 0.00 0.00 0.00 176.54 177.17 2w4y h LYS 116 N -0.22 0.65 -0.12 4.80 1.57 -1.07 -1.72 116.57 120.47 2w4y h LYS 116 Ca 0.12 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2w4y h LYS 116 Cb 0.40 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2w4y h LYS 116 CO -0.32 0.43 0.05 -0.07 -0.57 0.00 0.00 179.45 178.97 2w4y h LEU 117 N 0.66 0.06 -2.11 2.94 3.38 -0.59 -0.45 115.31 119.22 2w4y h LEU 117 Ca 0.24 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.23 2w4y h LEU 117 Cb 0.05 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2w4y h LEU 117 CO -0.11 0.05 0.03 0.40 0.09 0.00 0.00 178.44 178.90 2w4y h ILE 118 N 0.11 0.86 -0.04 1.22 2.04 -0.93 0.19 117.51 120.97 2w4y h ILE 118 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 2w4y h ILE 118 Cb 0.02 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2w4y h ILE 118 CO -0.05 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.71 2w4y n GLY 119 N -1.50 -0.74 2.46 5.37 0.00 -0.28 -4.88 105.19 105.62 2w4y n GLY 119 Ca -0.02 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 2w4y n GLY 119 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2w4y n TRP 120 N -0.52 0.00 -2.12 1.61 7.02 0.66 -4.94 117.44 119.15 2w4y n TRP 120 Ca 0.12 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.17 2w4y n TRP 120 Cb 0.10 -1.84 -0.03 0.00 -2.42 0.00 0.00 31.31 27.13 2w4y n TRP 120 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 2w4y s GLU 121 N -2.28 3.38 0.00 -0.99 2.02 -0.57 -5.01 118.70 115.24 2w4y s GLU 121 Ca 0.00 1.21 0.20 0.00 0.02 0.00 0.00 54.97 56.40 2w4y s GLU 121 Cb 0.00 -4.15 0.16 0.00 0.10 0.00 0.00 34.13 30.24 2w4y s GLU 121 CO 0.00 -1.81 1.14 0.45 0.02 0.00 0.00 175.26 175.06