#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh4 s LEU 6 N 0.00 2.13 0.08 -2.67 2.34 -1.26 -4.99 118.68 114.31 2wh4 s LEU 6 Ca 0.00 0.81 -0.36 0.00 0.06 0.00 0.00 54.13 54.64 2wh4 s LEU 6 Cb 0.00 -3.10 -0.18 0.00 -0.56 0.00 0.00 46.19 42.35 2wh4 s LEU 6 CO 0.00 -2.52 1.55 0.03 -1.06 0.00 0.00 176.35 174.35 2wh4 h ARG 7 N -1.48 -1.03 -6.06 1.48 3.08 -2.09 -3.43 114.38 104.84 2wh4 h ARG 7 Ca -0.48 0.07 -0.82 0.00 0.07 0.00 0.00 59.98 58.82 2wh4 h ARG 7 Cb 1.32 0.23 0.01 0.00 0.08 0.00 0.00 29.97 31.62 2wh4 h ARG 7 CO 0.58 -0.69 0.75 -2.30 -1.07 0.00 0.00 179.97 177.24 2wh4 n PRO 8 N -5.54 0.46 -1.66 0.04 -0.02 -1.26 -2.99 135.00 124.03 2wh4 n PRO 8 Ca -0.13 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 2wh4 n PRO 8 Cb 0.48 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 2wh4 n PRO 8 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2wh4 n ASN 9 N 4.42 -1.52 -0.00 2.55 5.15 -1.26 -4.97 115.26 119.62 2wh4 n ASN 9 Ca 0.29 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.31 2wh4 n ASN 9 Cb 0.02 -0.38 -0.06 0.00 -0.53 0.00 0.00 39.78 38.83 2wh4 n ASN 9 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2wh4 n PRO 10 N -0.63 2.40 -0.49 1.20 -0.04 -1.16 -5.06 135.00 131.22 2wh4 n PRO 10 Ca 0.00 -0.04 -0.16 0.00 -0.04 0.00 0.00 63.50 63.26 2wh4 n PRO 10 Cb 0.38 -1.06 -0.00 0.00 -0.04 0.00 0.00 33.50 32.78 2wh4 n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wh4 n GLY 11 N 1.54 -0.95 3.38 0.55 0.00 -1.26 -4.75 105.19 103.69 2wh4 n GLY 11 Ca 0.00 0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.59 2wh4 n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh4 n ALA 12 N -0.31 -2.69 -2.60 4.61 0.00 -1.26 -4.76 120.51 113.49 2wh4 n ALA 12 Ca 0.05 0.30 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 2wh4 n ALA 12 Cb 0.14 -1.59 -0.02 0.00 0.00 0.00 0.00 19.45 17.97 2wh4 n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wh4 s ASN 13 N -0.98 6.57 -0.18 0.00 6.03 -1.26 -4.70 114.94 120.43 2wh4 s ASN 13 Ca 0.62 -1.68 -0.01 0.00 -1.03 0.00 0.00 52.86 50.76 2wh4 s ASN 13 Cb -0.79 -2.55 0.00 0.00 -3.03 0.00 0.00 41.25 34.88 2wh4 s ASN 13 CO 0.59 -1.41 0.14 0.29 -2.03 0.00 0.00 177.10 174.68 2wh4 n LYS 14 N 8.55 -0.36 0.00 3.55 5.02 -1.26 -4.66 118.16 129.00 2wh4 n LYS 14 Ca 0.35 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 2wh4 n LYS 14 Cb 0.50 -0.49 0.00 0.00 -0.02 0.00 0.00 35.03 35.02 2wh4 n LYS 14 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wh4 n ARG 15 N -0.90 0.00 -0.04 1.97 1.74 -1.26 -5.01 116.66 113.16 2wh4 n ARG 15 Ca -0.07 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.96 2wh4 n ARG 15 Cb 0.16 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.57 2wh4 n ARG 15 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2wh4 n ARG 16 N 0.00 0.17 -0.52 5.56 0.00 -1.26 -5.08 116.66 115.54 2wh4 n ARG 16 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 2wh4 n ARG 16 Cb 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 32.46 31.35 2wh4 n ARG 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2wh4 n LYS 17 N -2.75 -0.02 0.00 -0.14 5.02 -1.26 -4.64 118.16 114.37 2wh4 n LYS 17 Ca -0.13 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 2wh4 n LYS 17 Cb 0.63 -0.04 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 2wh4 n LYS 17 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wh4 n ARG 18 N 0.65 0.29 -1.50 1.97 5.12 -1.26 -4.71 116.66 117.23 2wh4 n ARG 18 Ca 0.00 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.78 2wh4 n ARG 18 Cb 0.02 -1.29 -0.11 0.00 -1.16 0.00 0.00 32.46 29.91 2wh4 n ARG 18 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 2wh4 n VAL 19 N 0.71 0.00 -1.60 1.55 0.24 -1.26 -4.90 118.33 113.06 2wh4 n VAL 19 Ca 0.00 -0.03 -0.29 0.00 -2.04 0.00 0.00 64.34 61.98 2wh4 n VAL 19 Cb 0.13 -1.88 0.11 0.00 -1.47 0.00 0.00 33.84 30.73 2wh4 n VAL 19 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2wh4 s GLY 20 N 8.02 1.59 -0.21 7.63 0.00 -1.26 -5.03 107.32 118.06 2wh4 s GLY 20 Ca 0.77 -0.43 -0.04 0.00 0.00 0.00 0.00 44.72 45.02 2wh4 s GLY 20 CO 0.18 0.07 -0.04 1.09 0.00 0.00 0.00 173.10 174.40 2wh4 s ARG 21 N -5.28 3.44 -0.25 2.90 1.70 -1.26 -5.09 118.95 115.11 2wh4 s ARG 21 Ca 0.62 -0.60 -0.10 0.00 -0.47 0.00 0.00 55.73 55.18 2wh4 s ARG 21 Cb -0.14 -2.99 -0.05 0.00 -0.57 0.00 0.00 34.95 31.20 2wh4 s ARG 21 CO 0.53 -0.10 0.16 0.20 -1.08 0.00 0.00 175.30 175.00 2wh4 s GLY 22 N 1.25 1.95 -0.01 3.88 0.00 -1.26 -5.00 107.32 108.12 2wh4 s GLY 22 Ca 0.03 -0.95 0.20 0.00 0.00 0.00 0.00 44.72 44.00 2wh4 s GLY 22 CO -0.01 0.45 1.50 -1.05 0.00 0.00 0.00 173.10 173.98 2wh4 n PRO 23 N 4.48 2.66 -3.65 2.90 -0.02 -1.26 -4.78 135.00 135.33 2wh4 n PRO 23 Ca -0.15 -2.42 -0.39 0.00 -2.02 0.00 0.00 63.50 58.52 2wh4 n PRO 23 Cb 0.52 -1.56 -0.09 0.00 -0.02 0.00 0.00 33.50 32.35 2wh4 n PRO 23 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2wh4 s GLY 24 N -0.98 2.20 0.12 -1.23 0.00 -1.26 -4.21 107.32 101.95 2wh4 s GLY 24 Ca 0.45 -2.79 0.00 0.00 0.00 0.00 0.00 44.72 42.38 2wh4 s GLY 24 CO 0.29 1.09 0.00 -1.14 0.00 0.00 0.00 173.10 173.35 2wh4 n SER 25 N 4.35 -0.49 0.00 1.64 3.41 -1.26 -5.04 113.62 116.23 2wh4 n SER 25 Ca -0.00 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 2wh4 n SER 25 Cb 0.41 0.62 0.00 0.00 -0.26 0.00 0.00 64.21 64.97 2wh4 n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wh4 n GLY 26 N 0.56 0.57 3.64 5.00 0.00 -1.26 -5.06 105.19 108.64 2wh4 n GLY 26 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2wh4 n GLY 26 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wh4 s HIS 27 N -1.51 -0.30 0.00 1.61 5.65 -1.26 -4.92 115.29 114.57 2wh4 s HIS 27 Ca 0.00 0.71 0.00 0.00 0.25 0.00 0.00 55.06 56.02 2wh4 s HIS 27 Cb 0.00 0.40 0.00 0.00 -1.18 0.00 0.00 32.58 31.80 2wh4 s HIS 27 CO 0.00 -0.14 0.00 0.41 -0.65 0.00 0.00 174.74 174.36 2wh4 n GLY 28 N 2.08 2.14 2.45 1.59 0.00 -1.26 -4.65 105.19 107.53 2wh4 n GLY 28 Ca -0.12 -0.67 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 2wh4 n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wh4 n LYS 29 N 0.00 0.28 -1.21 1.61 4.01 -1.26 -5.02 118.16 116.57 2wh4 n LYS 29 Ca 0.00 -2.96 -0.05 0.00 -0.51 0.00 0.00 58.31 54.79 2wh4 n LYS 29 Cb 0.00 -1.60 0.03 0.00 -0.51 0.00 0.00 35.03 32.94 2wh4 n LYS 29 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2wh4 n THR 30 N 2.75 0.00 0.00 -0.18 -1.04 -1.26 -4.16 114.28 110.39 2wh4 n THR 30 Ca 0.27 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 2wh4 n THR 30 Cb 0.50 -1.15 0.00 0.00 -1.82 0.00 0.00 70.33 67.86 2wh4 n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wh4 n ALA 31 N -2.94 0.00 -0.32 2.41 0.00 -1.26 0.22 120.51 118.63 2wh4 n ALA 31 Ca -0.04 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.58 2wh4 n ALA 31 Cb 0.14 0.00 0.37 0.00 0.00 0.00 0.00 19.45 19.97 2wh4 n ALA 31 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2wh4 h THR 32 N 0.00 0.30 -1.90 0.00 1.35 -1.94 -3.47 112.91 107.25 2wh4 h THR 32 Ca 0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 2wh4 h THR 32 Cb 0.00 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.44 2wh4 h THR 32 CO 0.00 0.05 -0.27 -1.14 -0.25 0.00 0.00 175.52 173.91 2wh4 n ARG 33 N -5.16 -1.58 -0.59 4.72 3.00 0.61 -4.68 116.66 112.99 2wh4 n ARG 33 Ca 0.26 1.46 0.08 0.00 -0.00 0.00 0.00 57.85 59.65 2wh4 n ARG 33 Cb 0.82 -1.20 -0.02 0.00 0.00 0.00 0.00 32.46 32.06 2wh4 n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wh4 n GLY 34 N 0.50 -0.76 3.56 5.14 0.00 -1.26 -4.04 105.19 108.33 2wh4 n GLY 34 Ca 0.00 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 2wh4 n GLY 34 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2wh4 s HIS 35 N -1.58 1.16 0.00 1.61 -3.43 -1.26 -4.69 115.29 107.10 2wh4 s HIS 35 Ca 0.00 1.69 0.00 0.00 -0.80 0.00 0.00 55.06 55.95 2wh4 s HIS 35 Cb 0.00 -3.56 0.00 0.00 -1.43 0.00 0.00 32.58 27.59 2wh4 s HIS 35 CO 0.00 -2.04 0.00 1.63 -2.00 0.00 0.00 174.74 172.33 2wh4 n LYS 36 N 8.93 0.00 0.00 -0.38 5.02 -1.26 -5.03 118.16 125.43 2wh4 n LYS 36 Ca 0.41 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 2wh4 n LYS 36 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 2wh4 n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wh4 n GLY 37 N 0.00 3.05 0.00 0.72 0.00 -1.26 -4.98 105.19 102.72 2wh4 n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wh4 n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh4 n GLN 38 N -1.49 3.69 -4.24 1.61 10.64 -1.26 -5.11 117.38 121.22 2wh4 n GLN 38 Ca 0.00 0.00 -0.25 0.00 -1.83 0.00 0.00 57.00 54.92 2wh4 n GLN 38 Cb 0.00 0.00 -0.17 0.00 -0.86 0.00 0.00 30.24 29.21 2wh4 n GLN 38 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2wh4 s LYS 39 N 3.40 1.51 0.00 2.61 3.01 -1.26 -4.72 119.74 124.30 2wh4 s LYS 39 Ca 0.00 -0.30 0.00 0.00 -1.01 0.00 0.00 55.97 54.66 2wh4 s LYS 39 Cb 0.00 -1.41 0.00 0.00 -1.01 0.00 0.00 37.83 35.41 2wh4 s LYS 39 CO 0.00 -0.11 0.00 0.43 0.51 0.00 0.00 175.35 176.18 2wh4 n SER 40 N 4.33 0.00 -3.60 2.83 7.64 -1.26 -5.10 113.62 118.47 2wh4 n SER 40 Ca -0.18 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.40 2wh4 n SER 40 Cb 0.51 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.58 2wh4 n SER 40 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2wh4 s ARG 41 N 0.00 0.75 0.00 1.43 1.81 -1.26 -4.45 118.95 117.23 2wh4 s ARG 41 Ca 0.00 -1.37 0.00 0.00 -1.72 0.00 0.00 55.73 52.64 2wh4 s ARG 41 Cb 0.00 -1.72 0.00 0.00 -0.45 0.00 0.00 34.95 32.78 2wh4 s ARG 41 CO 0.00 -1.13 0.00 -1.13 -0.68 0.00 0.00 175.30 172.36 2wh4 n SER 42 N 4.21 0.00 0.00 0.23 3.41 -1.26 -4.95 113.62 115.26 2wh4 n SER 42 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2wh4 n SER 42 Cb 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 2wh4 n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wh4 n GLY 43 N -0.78 0.00 0.00 5.00 0.00 -1.26 -5.15 105.19 103.00 2wh4 n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wh4 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh4 n GLY 44 N 0.69 4.54 0.00 -0.02 0.00 -1.26 -5.12 105.19 104.02 2wh4 n GLY 44 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2wh4 n GLY 44 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wh4 n LEU 45 N 0.00 0.00 0.00 0.99 0.00 -1.26 -4.94 117.00 111.79 2wh4 n LEU 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2wh4 n LEU 45 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2wh4 n LEU 45 CO 0.00 -0.42 0.00 1.17 0.00 0.00 0.00 177.39 178.14 2wh4 n LYS 46 N -0.57 0.00 -0.11 1.96 3.00 -1.26 -4.93 118.16 116.25 2wh4 n LYS 46 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.10 2wh4 n LYS 46 Cb 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 35.03 34.87 2wh4 n LYS 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2wh4 n ASP 47 N 0.00 1.78 -0.13 3.14 4.64 -1.26 -5.03 116.55 119.70 2wh4 n ASP 47 Ca 0.00 0.31 -0.27 0.00 -1.38 0.00 0.00 54.79 53.45 2wh4 n ASP 47 Cb 0.00 -0.72 -0.11 0.00 -1.04 0.00 0.00 41.12 39.25 2wh4 n ASP 47 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 2wh4 n PRO 48 N -4.19 0.60 -0.26 -0.67 -0.02 -1.26 -5.05 135.00 124.15 2wh4 n PRO 48 Ca -0.38 0.29 -0.09 0.00 -2.02 0.00 0.00 63.50 61.30 2wh4 n PRO 48 Cb 0.73 -1.54 -0.01 0.00 -0.02 0.00 0.00 33.50 32.66 2wh4 n PRO 48 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2wh4 n ARG 49 N -4.11 0.00 0.00 -0.52 1.85 -1.26 -0.01 116.66 112.60 2wh4 n ARG 49 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.35 2wh4 n ARG 49 Cb 0.88 -0.20 0.00 0.00 -1.05 0.00 0.00 32.46 32.09 2wh4 n ARG 49 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2wh4 n ARG 50 N 0.20 0.00 0.00 2.89 0.00 -1.26 -4.78 116.66 113.71 2wh4 n ARG 50 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 2wh4 n ARG 50 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 32.46 32.47 2wh4 n ARG 50 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2wh4 n PHE 51 N 0.00 0.00 -0.15 -0.14 7.35 0.98 -4.64 117.46 120.86 2wh4 n PHE 51 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2wh4 n PHE 51 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 2wh4 n PHE 51 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2wh4 n GLU 52 N 0.00 0.00 0.00 -4.13 4.07 -1.26 -4.94 120.64 114.39 2wh4 n GLU 52 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2wh4 n GLU 52 Cb 0.00 -0.15 0.00 0.00 -0.06 0.00 0.00 31.44 31.23 2wh4 n GLU 52 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wh4 n GLY 53 N -0.77 1.73 0.00 8.31 0.00 -1.26 -4.88 105.19 108.32 2wh4 n GLY 53 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2wh4 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh4 n GLY 54 N 0.00 1.15 0.00 -0.02 0.00 -1.26 -5.07 105.19 99.99 2wh4 n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wh4 n GLY 54 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wh4 n ARG 55 N -0.06 2.02 -2.61 1.61 1.85 -1.26 -4.95 116.66 113.25 2wh4 n ARG 55 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.44 2wh4 n ARG 55 Cb 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 2wh4 n ARG 55 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2wh4 s SER 56 N -1.00 6.30 0.69 2.89 0.01 -1.26 -4.97 113.70 116.35 2wh4 s SER 56 Ca 0.00 -0.93 -0.12 0.00 1.31 0.00 0.00 55.95 56.20 2wh4 s SER 56 Cb 0.00 -2.54 -0.11 0.00 0.21 0.00 0.00 66.02 63.58 2wh4 s SER 56 CO 0.00 -1.64 -0.61 1.07 0.41 0.00 0.00 173.24 172.47 2wh4 n THR 57 N 6.45 0.00 -0.12 1.44 5.66 -1.26 -4.52 114.28 121.93 2wh4 n THR 57 Ca 0.13 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 2wh4 n THR 57 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 2wh4 n THR 57 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 2wh4 n THR 58 N -1.78 1.14 -0.75 1.09 5.66 -1.26 -3.13 114.28 115.25 2wh4 n THR 58 Ca -0.01 -0.25 0.05 0.00 -3.05 0.00 0.00 64.05 60.79 2wh4 n THR 58 Cb 0.40 -1.21 0.37 0.00 -1.55 0.00 0.00 70.33 68.33 2wh4 n THR 58 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2wh4 n LEU 59 N 1.47 5.40 0.22 1.09 7.94 -1.26 -4.24 117.00 127.63 2wh4 n LEU 59 Ca 0.00 -2.75 0.10 0.00 -1.11 0.00 0.00 56.01 52.25 2wh4 n LEU 59 Cb 0.32 -0.68 0.43 0.00 0.53 0.00 0.00 43.42 44.02 2wh4 n LEU 59 CO 0.00 0.61 0.79 0.24 -1.11 0.00 0.00 177.39 177.92 2wh4 h MET 60 N 3.59 0.00 0.00 1.96 2.86 -1.84 -3.44 114.93 118.05 2wh4 h MET 60 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2wh4 h MET 60 Cb 1.89 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.55 2wh4 h MET 60 CO 0.47 0.22 0.00 0.54 1.06 0.00 0.00 176.91 179.20 2wh4 n ARG 61 N -3.34 -1.12 -3.81 1.72 3.00 -1.26 -5.04 116.66 106.81 2wh4 n ARG 61 Ca 0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 57.85 57.73 2wh4 n ARG 61 Cb 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.83 2wh4 n ARG 61 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 2wh4 s LEU 62 N 0.00 1.16 -0.15 0.55 -0.00 -1.26 -5.13 118.68 113.85 2wh4 s LEU 62 Ca 0.00 -0.22 -0.25 0.00 -0.00 0.00 0.00 54.13 53.66 2wh4 s LEU 62 Cb 0.00 1.09 -0.02 0.00 -0.00 0.00 0.00 46.19 47.26 2wh4 s LEU 62 CO 0.00 -0.53 0.82 -2.16 -0.00 0.00 0.00 176.35 174.48 2wh4 s PRO 63 N -2.18 4.33 -0.23 1.48 0.04 -1.26 -4.86 135.00 132.32 2wh4 s PRO 63 Ca -0.08 1.01 0.03 0.00 0.04 0.00 0.00 61.00 62.01 2wh4 s PRO 63 Cb -0.03 -3.55 -0.16 0.00 0.04 0.00 0.00 34.50 30.80 2wh4 s PRO 63 CO -0.01 -0.26 -0.18 1.17 0.04 0.00 0.00 177.00 177.76 2wh4 n LYS 64 N 4.98 0.63 -0.61 4.56 4.81 -1.26 -4.84 118.16 126.43 2wh4 n LYS 64 Ca 0.04 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 2wh4 n LYS 64 Cb 0.49 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 34.08 2wh4 n LYS 64 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2wh4 n ARG 65 N -3.12 0.00 -0.41 1.64 3.00 -1.26 -4.81 116.66 111.71 2wh4 n ARG 65 Ca -0.40 0.00 -0.31 0.00 -0.01 0.00 0.00 57.85 57.14 2wh4 n ARG 65 Cb 0.95 -0.61 0.29 0.00 0.00 0.00 0.00 32.46 33.09 2wh4 n ARG 65 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2wh4 s GLY 66 N 1.82 1.42 -0.83 -0.13 0.00 -1.26 -2.48 107.32 105.86 2wh4 s GLY 66 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.85 2wh4 s GLY 66 CO 0.00 0.15 0.00 1.03 0.00 0.00 0.00 173.10 174.28 2wh4 n MET 67 N -5.64 -1.65 -0.16 2.90 2.00 -1.26 -4.77 117.12 108.54 2wh4 n MET 67 Ca 0.13 0.63 0.00 0.00 0.00 0.00 0.00 57.70 58.46 2wh4 n MET 67 Cb 0.60 -4.74 0.00 0.00 0.00 0.00 0.00 33.22 29.09 2wh4 n MET 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2wh4 n GLN 68 N -0.70 0.55 0.00 0.03 10.64 -1.03 -4.84 117.38 122.02 2wh4 n GLN 68 Ca -0.08 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.09 2wh4 n GLN 68 Cb 0.43 -1.22 0.00 0.00 -0.86 0.00 0.00 30.24 28.58 2wh4 n GLN 68 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2wh4 n GLY 69 N 1.30 0.79 0.00 2.61 0.00 -1.26 -5.12 105.19 103.50 2wh4 n GLY 69 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 2wh4 n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2wh4 n GLN 70 N -1.73 0.00 0.00 1.61 -0.06 -1.26 -5.04 117.38 110.89 2wh4 n GLN 70 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2wh4 n GLN 70 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2wh4 n GLN 70 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 2wh4 n VAL 71 N 0.00 0.00 -0.30 1.69 0.31 -1.26 0.07 118.33 118.84 2wh4 n VAL 71 Ca 0.00 0.00 0.22 0.00 -0.01 0.00 0.00 64.34 64.55 2wh4 n VAL 71 Cb 0.00 0.00 0.42 0.00 -0.91 0.00 0.00 33.84 33.35 2wh4 n VAL 71 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2wh4 n PRO 72 N -0.97 -0.06 0.00 5.55 -0.02 -1.26 -4.90 135.00 133.34 2wh4 n PRO 72 Ca 0.00 1.27 0.00 0.00 -2.02 0.00 0.00 63.50 62.75 2wh4 n PRO 72 Cb 0.00 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 2wh4 n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wh4 n GLY 73 N -1.32 0.56 3.80 -1.23 0.00 0.11 -5.06 105.19 102.06 2wh4 n GLY 73 Ca 0.29 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.17 2wh4 n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wh4 s GLU 74 N -1.29 4.08 -0.17 1.61 2.12 -1.26 -4.59 118.70 119.19 2wh4 s GLU 74 Ca 0.00 0.47 -0.29 0.00 0.36 0.00 0.00 54.97 55.51 2wh4 s GLU 74 Cb 0.00 -3.28 -0.01 0.00 0.26 0.00 0.00 34.13 31.10 2wh4 s GLU 74 CO 0.00 0.54 1.17 0.96 -0.54 0.00 0.00 175.26 177.39 2wh4 s ILE 75 N -0.63 4.44 -0.49 -3.70 -5.25 -1.26 -4.94 121.20 109.37 2wh4 s ILE 75 Ca 0.25 1.74 -0.26 0.00 -0.99 0.00 0.00 60.65 61.38 2wh4 s ILE 75 Cb -0.17 -4.12 -0.05 0.00 2.95 0.00 0.00 42.46 41.07 2wh4 s ILE 75 CO 0.13 -0.13 2.24 -0.75 -1.79 0.00 0.00 174.94 174.64 2wh4 s LYS 76 N 3.21 2.36 0.20 0.37 2.47 -1.26 -4.95 119.74 122.13 2wh4 s LYS 76 Ca 0.51 1.28 0.10 0.00 -1.56 0.00 0.00 55.97 56.29 2wh4 s LYS 76 Cb -0.20 -4.51 -0.04 0.00 -1.46 0.00 0.00 37.83 31.62 2wh4 s LYS 76 CO 0.13 -3.00 -0.20 1.03 0.16 0.00 0.00 175.35 173.47 2wh4 s ARG 77 N 7.72 1.43 -0.23 4.03 0.52 -1.26 -5.09 118.95 126.07 2wh4 s ARG 77 Ca 0.90 -1.54 -0.29 0.00 -0.52 0.00 0.00 55.73 54.28 2wh4 s ARG 77 Cb -0.18 -1.54 -0.02 0.00 0.52 0.00 0.00 34.95 33.73 2wh4 s ARG 77 CO 0.26 0.31 1.61 -1.25 0.02 0.00 0.00 175.30 176.25 2wh4 s PRO 78 N -3.02 3.76 0.20 3.54 0.04 -1.26 -4.99 135.00 133.27 2wh4 s PRO 78 Ca 0.21 1.62 -0.28 0.00 0.04 0.00 0.00 61.00 62.58 2wh4 s PRO 78 Cb -0.06 -4.04 -0.08 0.00 0.04 0.00 0.00 34.50 30.36 2wh4 s PRO 78 CO 0.09 -1.33 0.89 1.03 0.04 0.00 0.00 177.00 177.72 2wh4 s ARG 79 N 4.73 4.75 -0.31 4.56 0.52 -1.26 -4.98 118.95 126.97 2wh4 s ARG 79 Ca 0.71 1.37 -0.01 0.00 -0.52 0.00 0.00 55.73 57.29 2wh4 s ARG 79 Cb -0.24 -3.29 0.06 0.00 0.52 0.00 0.00 34.95 32.00 2wh4 s ARG 79 CO 0.29 0.49 0.01 0.71 0.02 0.00 0.00 175.30 176.83 2wh4 s TYR 80 N -1.00 3.32 0.07 -0.53 2.02 -1.26 -1.76 117.35 118.20 2wh4 s TYR 80 Ca 0.40 -2.03 -0.23 0.00 -0.37 0.00 0.00 57.07 54.84 2wh4 s TYR 80 Cb -0.25 -2.23 -0.06 0.00 -0.40 0.00 0.00 41.96 39.02 2wh4 s TYR 80 CO 0.30 -0.84 0.70 -1.14 -1.57 0.00 0.00 175.55 173.00 2wh4 s GLN 81 N 1.21 4.43 -0.10 -0.62 2.00 -0.86 -4.92 119.66 120.78 2wh4 s GLN 81 Ca -0.04 0.96 -0.01 0.00 -2.00 0.00 0.00 55.36 54.28 2wh4 s GLN 81 Cb -0.20 -3.31 -0.03 0.00 0.80 0.00 0.00 33.01 30.27 2wh4 s GLN 81 CO -0.02 0.44 -0.07 0.20 -0.50 0.00 0.00 175.29 175.34 2wh4 s GLY 82 N -0.56 1.67 -0.14 2.59 0.00 -1.26 -0.24 107.32 109.38 2wh4 s GLY 82 Ca 0.34 -0.87 -0.00 0.00 0.00 0.00 0.00 44.72 44.19 2wh4 s GLY 82 CO 0.22 -0.41 -0.07 0.54 0.00 0.00 0.00 173.10 173.38 2wh4 s VAL 83 N -0.25 1.11 1.10 1.40 0.11 -0.66 -4.93 120.40 118.27 2wh4 s VAL 83 Ca 0.03 -0.46 -0.18 0.00 -2.93 0.00 0.00 61.98 58.45 2wh4 s VAL 83 Cb -0.13 -1.18 0.12 0.00 -1.53 0.00 0.00 36.38 33.66 2wh4 s VAL 83 CO 0.03 0.28 0.03 0.59 -3.33 0.00 0.00 175.10 172.70 2wh4 n ASN 84 N 4.90 -2.66 0.01 3.54 3.02 -1.23 -3.06 115.26 119.78 2wh4 n ASN 84 Ca -0.13 -0.23 0.06 0.00 -0.03 0.00 0.00 54.58 54.25 2wh4 n ASN 84 Cb 0.49 -0.87 -0.11 0.00 -0.61 0.00 0.00 39.78 38.68 2wh4 n ASN 84 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2wh4 n LEU 85 N -1.40 0.39 -0.11 3.41 4.77 -0.64 -3.63 117.00 119.79 2wh4 n LEU 85 Ca 0.02 0.16 -0.08 0.00 -0.03 0.00 0.00 56.01 56.09 2wh4 n LEU 85 Cb 0.55 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2wh4 n LEU 85 CO 0.43 0.05 1.01 0.07 -1.33 0.00 0.00 177.39 177.62 2wh4 h LYS 86 N 0.00 0.44 0.59 3.23 2.10 -1.84 -1.65 116.57 119.43 2wh4 h LYS 86 Ca -0.11 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.48 2wh4 h LYS 86 Cb 1.29 -0.10 0.01 0.00 -0.90 0.00 0.00 32.23 32.53 2wh4 h LYS 86 CO 0.01 0.29 -0.28 -0.44 -2.00 0.00 0.00 179.45 177.03 2wh4 h ASP 87 N 0.45 -0.67 0.00 7.07 3.32 -1.91 -2.85 116.42 121.84 2wh4 h ASP 87 Ca 0.14 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2wh4 h ASP 87 Cb -0.01 0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2wh4 h ASP 87 CO -0.06 -0.30 0.65 0.25 -1.72 0.00 0.00 179.24 178.06 2wh4 h LEU 88 N -1.08 0.00 0.09 1.55 5.85 -1.58 0.34 115.31 120.48 2wh4 h LEU 88 Ca -0.08 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.39 2wh4 h LEU 88 Cb 0.66 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 2wh4 h LEU 88 CO 0.13 0.00 -1.26 0.00 -0.34 0.00 0.00 178.44 176.97 2wh4 h ALA 89 N 0.43 0.17 0.00 1.25 0.00 -1.05 -3.40 119.26 116.65 2wh4 h ALA 89 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.86 2wh4 h ALA 89 Cb 1.30 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2wh4 h ALA 89 CO 0.00 0.73 0.00 -2.13 0.00 0.00 0.00 179.25 177.85 2wh4 n ARG 90 N -4.05 0.00 -2.63 0.00 0.63 0.12 -4.22 116.66 106.51 2wh4 n ARG 90 Ca -0.24 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.46 2wh4 n ARG 90 Cb 0.84 0.00 0.07 0.00 0.45 0.00 0.00 32.46 33.82 2wh4 n ARG 90 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 2wh4 s PHE 91 N -2.96 2.14 -0.18 -0.14 -0.71 -1.26 -5.12 117.98 109.75 2wh4 s PHE 91 Ca 0.00 -0.18 -0.16 0.00 -1.04 0.00 0.00 56.93 55.54 2wh4 s PHE 91 Cb 0.00 -2.84 0.05 0.00 -1.21 0.00 0.00 43.02 39.02 2wh4 s PHE 91 CO 0.00 -1.31 0.48 -2.00 -1.34 0.00 0.00 175.22 171.05 2wh4 s GLU 92 N -4.95 0.55 0.00 1.99 -6.30 -1.26 -5.00 118.70 103.74 2wh4 s GLU 92 Ca 0.62 0.67 0.00 0.00 -2.50 0.00 0.00 54.97 53.76 2wh4 s GLU 92 Cb -0.08 0.26 0.00 0.00 0.00 0.00 0.00 34.13 34.31 2wh4 s GLU 92 CO 0.41 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 176.03 2wh4 n GLY 93 N 2.89 -1.10 2.52 -1.50 0.00 -1.26 -5.05 105.19 101.69 2wh4 n GLY 93 Ca -0.14 0.47 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 2wh4 n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wh4 s GLU 94 N 0.00 0.34 0.18 1.61 2.12 -1.26 -4.10 118.70 117.59 2wh4 s GLU 94 Ca 0.00 -0.83 -0.30 0.00 0.36 0.00 0.00 54.97 54.20 2wh4 s GLU 94 Cb 0.00 -1.25 -0.08 0.00 0.26 0.00 0.00 34.13 33.07 2wh4 s GLU 94 CO 0.00 -1.08 1.06 0.14 -0.54 0.00 0.00 175.26 174.84 2wh4 s VAL 95 N 1.72 3.94 0.07 3.70 -7.23 -1.24 -4.95 120.40 116.41 2wh4 s VAL 95 Ca 0.12 1.71 -0.09 0.00 -1.81 0.00 0.00 61.98 61.91 2wh4 s VAL 95 Cb -0.19 -4.09 0.00 0.00 0.56 0.00 0.00 36.38 32.66 2wh4 s VAL 95 CO -0.23 0.31 0.20 0.42 -0.31 0.00 0.00 175.10 175.49 2wh4 s THR 96 N -0.38 0.13 0.34 5.32 -4.23 -1.26 -1.82 115.64 113.73 2wh4 s THR 96 Ca 0.48 -1.04 0.12 0.00 -1.18 0.00 0.00 61.69 60.07 2wh4 s THR 96 Cb -0.28 -1.15 0.34 0.00 1.34 0.00 0.00 72.50 72.75 2wh4 s THR 96 CO 0.34 -0.57 1.62 -0.65 -0.54 0.00 0.00 174.62 174.83 2wh4 h PRO 97 N 3.05 0.16 -0.22 3.99 0.11 -1.97 0.32 132.00 137.44 2wh4 h PRO 97 Ca -0.33 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.79 2wh4 h PRO 97 Cb 1.20 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 2wh4 h PRO 97 CO 0.52 0.11 -0.28 1.49 -0.21 0.00 0.00 178.00 179.63 2wh4 h GLU 98 N 0.17 -0.19 0.00 1.05 4.57 -1.95 -1.52 114.58 116.71 2wh4 h GLU 98 Ca 0.72 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.91 2wh4 h GLU 98 Cb 1.68 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.31 2wh4 h GLU 98 CO -0.70 -0.12 0.00 1.28 -1.18 0.00 0.00 179.01 178.28 2wh4 n LEU 99 N -4.06 0.00 -0.57 1.64 4.77 0.11 -0.76 117.00 118.13 2wh4 n LEU 99 Ca -0.02 0.78 0.47 0.00 -0.03 0.00 0.00 56.01 57.21 2wh4 n LEU 99 Cb 0.17 -0.28 0.78 0.00 -2.33 0.00 0.00 43.42 41.76 2wh4 n LEU 99 CO -0.00 -0.28 1.43 -0.07 -1.33 0.00 0.00 177.39 177.14 2wh4 h LEU 100 N 0.00 0.00 0.06 2.23 -0.00 -1.43 0.54 115.31 116.72 2wh4 h LEU 100 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.55 2wh4 h LEU 100 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.63 2wh4 h LEU 100 CO 0.00 0.00 -1.85 0.55 -0.00 0.00 0.00 178.44 177.14 2wh4 n VAL 101 N -3.94 1.70 1.19 1.22 3.14 -0.58 -2.46 118.33 118.60 2wh4 n VAL 101 Ca 0.38 -0.73 0.01 0.00 -2.96 0.00 0.00 64.34 61.04 2wh4 n VAL 101 Cb 1.78 -1.39 0.05 0.00 -1.06 0.00 0.00 33.84 33.21 2wh4 n VAL 101 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2wh4 n ARG 102 N -3.27 0.60 0.00 1.45 0.00 0.19 -4.38 116.66 111.24 2wh4 n ARG 102 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.61 2wh4 n ARG 102 Cb 1.05 -1.04 0.00 0.00 0.00 0.00 0.00 32.46 32.47 2wh4 n ARG 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wh4 n ALA 103 N -0.54 0.00 0.00 5.13 0.00 -0.99 -5.03 120.51 119.08 2wh4 n ALA 103 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2wh4 n ALA 103 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 2wh4 n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh4 n GLY 104 N 0.00 -0.72 2.57 0.00 0.00 -1.15 -4.54 105.19 101.35 2wh4 n GLY 104 Ca 0.00 0.24 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 2wh4 n GLY 104 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2wh4 n LEU 105 N 0.00 0.15 0.00 0.99 -0.00 -1.03 -4.90 117.00 112.21 2wh4 n LEU 105 Ca 0.00 -3.96 0.00 0.00 -0.00 0.00 0.00 56.01 52.05 2wh4 n LEU 105 Cb 0.00 0.47 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 2wh4 n LEU 105 CO 0.00 1.86 -0.39 -0.11 -0.00 0.00 0.00 177.39 178.76 2wh4 n LEU 106 N -0.05 1.15 -3.18 1.47 -0.00 -1.24 -4.89 117.00 110.26 2wh4 n LEU 106 Ca 0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 56.01 2wh4 n LEU 106 Cb 0.78 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 44.21 2wh4 n LEU 106 CO 0.15 0.13 -0.41 0.29 -0.00 0.00 0.00 177.39 177.56 2wh4 n LYS 107 N -2.58 -1.27 -1.08 1.96 4.01 -1.26 -2.36 118.16 115.58 2wh4 n LYS 107 Ca 0.00 1.31 0.00 0.00 -0.51 0.00 0.00 58.31 59.11 2wh4 n LYS 107 Cb 0.39 -2.17 0.00 0.00 -0.51 0.00 0.00 35.03 32.74 2wh4 n LYS 107 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2wh4 n LYS 108 N 0.75 -1.39 0.00 1.97 4.76 -1.26 -4.84 118.16 118.15 2wh4 n LYS 108 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2wh4 n LYS 108 Cb 0.47 -2.00 0.00 0.00 -1.84 0.00 0.00 35.03 31.66 2wh4 n LYS 108 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wh4 n GLY 109 N -0.15 -3.09 1.22 0.72 0.00 -1.00 -5.03 105.19 97.86 2wh4 n GLY 109 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2wh4 n GLY 109 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2wh4 n TYR 110 N 0.00 -0.09 -3.98 1.61 9.36 -1.26 -5.09 117.16 117.71 2wh4 n TYR 110 Ca 0.00 0.02 -0.22 0.00 3.32 0.00 0.00 57.90 61.02 2wh4 n TYR 110 Cb 0.00 0.11 -0.02 0.00 -0.63 0.00 0.00 39.34 38.80 2wh4 n TYR 110 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2wh4 s ARG 111 N -1.16 3.38 -0.06 2.98 3.00 -0.72 -5.01 118.95 121.35 2wh4 s ARG 111 Ca 0.00 -0.77 0.05 0.00 0.00 0.00 0.00 55.73 55.01 2wh4 s ARG 111 Cb 0.00 -2.86 -0.00 0.00 0.00 0.00 0.00 34.95 32.08 2wh4 s ARG 111 CO 0.00 0.44 -0.21 -1.17 0.00 0.00 0.00 175.30 174.36 2wh4 s LEU 112 N -3.84 1.98 -0.23 2.53 0.20 -1.26 -2.04 118.68 116.02 2wh4 s LEU 112 Ca 0.34 -0.45 -0.00 0.00 0.69 0.00 0.00 54.13 54.71 2wh4 s LEU 112 Cb -0.09 -1.19 0.06 0.00 -0.43 0.00 0.00 46.19 44.54 2wh4 s LEU 112 CO 0.28 0.17 -0.01 -0.75 -0.29 0.00 0.00 176.35 175.76 2wh4 s LYS 113 N 0.09 1.26 0.41 1.98 2.20 0.67 -1.39 119.74 124.96 2wh4 s LYS 113 Ca -0.08 -0.84 -0.24 0.00 -0.36 0.00 0.00 55.97 54.46 2wh4 s LYS 113 Cb -0.14 -2.42 -0.09 0.00 -1.51 0.00 0.00 37.83 33.67 2wh4 s LYS 113 CO 0.04 -0.65 1.06 0.42 -0.36 0.00 0.00 175.35 175.87 2wh4 s ILE 114 N 1.54 3.67 0.00 5.43 1.09 -0.92 -1.65 121.20 130.37 2wh4 s ILE 114 Ca -0.03 1.25 0.00 0.00 -1.10 0.00 0.00 60.65 60.77 2wh4 s ILE 114 Cb -0.18 -3.63 0.00 0.00 -1.06 0.00 0.00 42.46 37.58 2wh4 s ILE 114 CO -0.08 -0.02 0.00 0.00 -0.10 0.00 0.00 174.94 174.74 2wh4 n LEU 115 N -0.20 0.00 0.00 2.97 -0.00 -1.17 -2.92 117.00 115.68 2wh4 n LEU 115 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 2wh4 n LEU 115 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 2wh4 n LEU 115 CO 0.45 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.45 2wh4 n GLY 116 N -0.54 -1.17 3.96 1.47 0.00 -1.26 -1.62 105.19 106.02 2wh4 n GLY 116 Ca 0.00 -2.16 -0.24 0.00 0.00 0.00 0.00 46.02 43.63 2wh4 n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wh4 s GLU 117 N -0.12 2.06 0.00 1.61 2.02 -1.26 -4.69 118.70 118.32 2wh4 s GLU 117 Ca 0.00 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.30 2wh4 s GLU 117 Cb 0.00 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 31.93 2wh4 s GLU 117 CO 0.00 -1.20 0.00 0.41 0.02 0.00 0.00 175.26 174.49 2wh4 n GLY 118 N -2.76 1.53 3.65 -1.39 0.00 -1.26 -2.95 105.19 102.01 2wh4 n GLY 118 Ca 0.10 -2.15 -0.37 0.00 0.00 0.00 0.00 46.02 43.60 2wh4 n GLY 118 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wh4 s GLU 119 N -1.60 4.09 -0.02 1.61 0.41 -1.26 -4.89 118.70 117.04 2wh4 s GLU 119 Ca 0.00 -0.09 -0.30 0.00 -0.41 0.00 0.00 54.97 54.17 2wh4 s GLU 119 Cb 0.00 -3.56 -0.03 0.00 -1.78 0.00 0.00 34.13 28.76 2wh4 s GLU 119 CO 0.00 -0.02 1.09 0.00 -0.49 0.00 0.00 175.26 175.84 2wh4 s ALA 120 N 1.29 3.34 0.43 5.21 0.00 -1.26 -4.80 121.76 125.97 2wh4 s ALA 120 Ca 0.12 0.60 -0.10 0.00 0.00 0.00 0.00 51.96 52.58 2wh4 s ALA 120 Cb -0.14 -3.43 -0.06 0.00 0.00 0.00 0.00 23.12 19.49 2wh4 s ALA 120 CO 0.07 -0.48 0.79 0.15 0.00 0.00 0.00 175.76 176.28 2wh4 s LYS 121 N 1.51 3.74 -0.42 0.00 3.01 -1.26 -4.95 119.74 121.37 2wh4 s LYS 121 Ca 0.54 0.46 -0.29 0.00 -1.01 0.00 0.00 55.97 55.67 2wh4 s LYS 121 Cb -0.23 -2.37 0.03 0.00 -1.01 0.00 0.00 37.83 34.25 2wh4 s LYS 121 CO 0.25 -0.09 1.11 -1.25 0.51 0.00 0.00 175.35 175.88 2wh4 s PRO 122 N -4.05 3.84 0.00 -1.68 0.04 -1.25 -4.82 135.00 127.10 2wh4 s PRO 122 Ca 0.51 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2wh4 s PRO 122 Cb -0.10 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.59 2wh4 s PRO 122 CO 0.34 -1.21 0.00 1.47 0.04 0.00 0.00 177.00 177.65 2wh4 n LEU 123 N 7.48 0.00 -4.43 -3.56 -0.00 -1.25 -4.90 117.00 110.35 2wh4 n LEU 123 Ca 0.12 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.82 2wh4 n LEU 123 Cb 0.48 0.00 0.19 0.00 -0.00 0.00 0.00 43.42 44.10 2wh4 n LEU 123 CO 0.67 0.00 0.08 0.29 -0.00 0.00 0.00 177.39 178.43 2wh4 n LYS 124 N -0.11 -1.53 -2.79 1.47 5.02 -1.26 -4.10 118.16 114.86 2wh4 n LYS 124 Ca 0.00 -0.41 -0.02 0.00 -2.02 0.00 0.00 58.31 55.85 2wh4 n LYS 124 Cb 0.00 -1.99 0.02 0.00 -0.02 0.00 0.00 35.03 33.04 2wh4 n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wh4 s VAL 125 N -2.38 -0.60 0.03 -0.18 0.11 -1.26 -3.69 120.40 112.43 2wh4 s VAL 125 Ca 0.62 -0.43 -0.30 0.00 -2.93 0.00 0.00 61.98 58.94 2wh4 s VAL 125 Cb -0.20 0.00 -0.07 0.00 -1.53 0.00 0.00 36.38 34.58 2wh4 s VAL 125 CO 0.65 0.00 1.60 -0.69 -3.33 0.00 0.00 175.10 173.33 2wh4 s VAL 126 N 1.21 3.28 0.13 2.04 1.01 -0.76 -3.94 120.40 123.36 2wh4 s VAL 126 Ca 0.23 0.65 0.02 0.00 0.00 0.00 0.00 61.98 62.88 2wh4 s VAL 126 Cb 0.04 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 2wh4 s VAL 126 CO -0.09 -0.01 0.12 0.00 0.00 0.00 0.00 175.10 175.12 2wh4 n ALA 127 N 5.86 0.18 0.40 5.51 0.00 -0.78 -4.14 120.51 127.54 2wh4 n ALA 127 Ca 0.16 -0.70 0.05 0.00 0.00 0.00 0.00 53.44 52.94 2wh4 n ALA 127 Cb 0.42 0.57 0.01 0.00 0.00 0.00 0.00 19.45 20.44 2wh4 n ALA 127 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wh4 n HIS 128 N -0.23 0.00 0.00 0.00 8.25 -0.49 -0.78 115.22 121.97 2wh4 n HIS 128 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2wh4 n HIS 128 Cb 0.22 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 2wh4 n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wh4 n ALA 129 N -0.01 0.00 -2.42 -1.41 0.00 -1.20 -4.56 120.51 110.90 2wh4 n ALA 129 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.21 2wh4 n ALA 129 Cb 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.54 2wh4 n ALA 129 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2wh4 s PHE 130 N -0.96 2.33 0.07 0.00 2.99 -1.26 -2.16 117.98 118.99 2wh4 s PHE 130 Ca 0.00 -0.36 -0.25 0.00 0.00 0.00 0.00 56.93 56.33 2wh4 s PHE 130 Cb 0.00 -1.19 -0.06 0.00 0.00 0.00 0.00 43.02 41.77 2wh4 s PHE 130 CO 0.00 0.45 0.75 0.45 -0.00 0.00 0.00 175.22 176.87 2wh4 s SER 131 N -2.47 7.23 0.41 1.36 0.15 -1.15 -4.82 113.70 114.41 2wh4 s SER 131 Ca 0.19 1.47 0.26 0.00 0.70 0.00 0.00 55.95 58.57 2wh4 s SER 131 Cb -0.09 -2.46 1.38 0.00 -1.71 0.00 0.00 66.02 63.14 2wh4 s SER 131 CO 0.09 0.07 1.61 0.11 1.20 0.00 0.00 173.24 176.32 2wh4 h LYS 132 N 5.33 0.08 -0.10 5.44 6.56 -1.98 1.99 116.57 133.89 2wh4 h LYS 132 Ca -0.45 -0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.00 2wh4 h LYS 132 Cb 1.21 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.84 2wh4 h LYS 132 CO 0.69 0.05 -0.55 1.03 -2.06 0.00 0.00 179.45 178.62 2wh4 h SER 133 N 0.08 0.31 0.05 0.86 0.87 -1.98 -3.24 113.55 110.52 2wh4 h SER 133 Ca 0.83 -0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 61.22 2wh4 h SER 133 Cb 2.43 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 64.30 2wh4 h SER 133 CO -0.53 0.80 -0.03 0.00 -0.53 0.00 0.00 176.83 176.55 2wh4 h ALA 134 N 1.21 -0.07 0.00 6.23 0.00 0.27 -3.16 119.26 123.74 2wh4 h ALA 134 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2wh4 h ALA 134 Cb 1.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2wh4 h ALA 134 CO 0.09 -0.13 0.53 -0.11 0.00 0.00 0.00 179.25 179.63 2wh4 n LEU 135 N -4.76 0.16 0.00 0.00 -0.00 0.61 -2.23 117.00 110.78 2wh4 n LEU 135 Ca -0.08 0.39 0.00 0.00 -0.00 0.00 0.00 56.01 56.32 2wh4 n LEU 135 Cb 0.31 -0.24 0.00 0.00 -0.00 0.00 0.00 43.42 43.49 2wh4 n LEU 135 CO 0.26 -0.44 0.00 -0.62 -0.00 0.00 0.00 177.39 176.59 2wh4 n GLU 136 N -1.86 0.00 -0.27 1.96 -0.58 -1.19 -2.47 120.64 116.22 2wh4 n GLU 136 Ca -0.00 0.01 0.24 0.00 -0.42 0.00 0.00 57.16 56.99 2wh4 n GLU 136 Cb 0.53 -0.42 0.43 0.00 -0.57 0.00 0.00 31.44 31.41 2wh4 n GLU 136 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wh4 n LYS 137 N -0.73 -0.03 -0.01 3.49 4.76 -0.95 0.59 118.16 125.28 2wh4 n LYS 137 Ca 0.00 0.89 -0.10 0.00 -2.87 0.00 0.00 58.31 56.23 2wh4 n LYS 137 Cb 0.00 -1.67 -0.08 0.00 -1.84 0.00 0.00 35.03 31.44 2wh4 n LYS 137 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2wh4 h LEU 138 N 0.00 -0.08 0.00 -0.35 5.85 -1.64 -3.21 115.31 115.88 2wh4 h LEU 138 Ca 0.58 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2wh4 h LEU 138 Cb 1.71 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.76 2wh4 h LEU 138 CO -0.42 0.60 0.00 1.17 -0.34 0.00 0.00 178.44 179.45 2wh4 n LYS 139 N -4.79 0.00 -2.46 1.25 4.81 0.20 -0.55 118.16 116.62 2wh4 n LYS 139 Ca -0.07 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.16 2wh4 n LYS 139 Cb 0.28 -1.26 0.01 0.00 0.02 0.00 0.00 35.03 34.08 2wh4 n LYS 139 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wh4 n ALA 140 N -0.63 4.59 0.00 3.14 0.00 -1.02 -4.72 120.51 121.88 2wh4 n ALA 140 Ca 0.00 -3.91 0.00 0.00 0.00 0.00 0.00 53.44 49.53 2wh4 n ALA 140 Cb 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 18.85 2wh4 n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh4 n ALA 141 N -0.44 0.00 -3.19 0.00 0.00 0.29 -5.01 120.51 112.16 2wh4 n ALA 141 Ca 0.32 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.80 2wh4 n ALA 141 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.20 2wh4 n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh4 n GLY 142 N 0.00 0.50 3.84 0.00 0.00 -0.46 -3.74 105.19 105.32 2wh4 n GLY 142 Ca 0.00 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 44.90 2wh4 n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wh4 s GLY 143 N -2.98 1.67 -0.53 -0.02 0.00 -1.26 -4.58 107.32 99.62 2wh4 s GLY 143 Ca 0.06 -1.19 0.04 0.00 0.00 0.00 0.00 44.72 43.62 2wh4 s GLY 143 CO -0.00 -1.20 0.31 -0.54 0.00 0.00 0.00 173.10 171.67 2wh4 s GLU 144 N -3.23 1.79 -0.81 2.90 2.02 -1.26 -4.08 118.70 116.02 2wh4 s GLU 144 Ca 0.32 -2.55 -0.26 0.00 0.02 0.00 0.00 54.97 52.50 2wh4 s GLU 144 Cb -0.10 -2.89 0.03 0.00 0.10 0.00 0.00 34.13 31.27 2wh4 s GLU 144 CO 0.25 -1.19 1.40 -2.14 0.02 0.00 0.00 175.26 173.60 2wh4 s PRO 145 N -0.33 3.22 1.09 0.39 0.02 -1.25 -5.02 135.00 133.13 2wh4 s PRO 145 Ca 0.20 -0.40 -0.15 0.00 0.02 0.00 0.00 61.00 60.67 2wh4 s PRO 145 Cb -0.18 -4.54 0.15 0.00 0.02 0.00 0.00 34.50 29.94 2wh4 s PRO 145 CO -0.05 -2.26 0.45 1.55 -0.33 0.00 0.00 177.00 176.35 2wh4 n VAL 146 N 6.64 0.00 0.00 3.83 3.14 -1.26 -1.87 118.33 128.81 2wh4 n VAL 146 Ca 0.14 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 2wh4 n VAL 146 Cb 0.50 -0.75 0.00 0.00 -1.06 0.00 0.00 33.84 32.53 2wh4 n VAL 146 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wh4 n LEU 147 N -2.73 0.00 0.00 6.55 -0.00 0.04 -4.50 117.00 116.36 2wh4 n LEU 147 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 2wh4 n LEU 147 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.00 2wh4 n LEU 147 CO 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.92 2wh4 n LEU 148 N 0.00 0.00 0.00 1.47 -0.00 -1.26 -4.98 117.00 112.23 2wh4 n LEU 148 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2wh4 n LEU 148 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2wh4 n LEU 148 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.39 178.60 2wh4 n GLU 149 N 0.00 0.00 0.00 1.47 4.07 -1.26 -5.17 120.64 119.75 2wh4 n GLU 149 Ca 0.00 0.00 0.14 0.00 -0.06 0.00 0.00 57.16 57.24 2wh4 n GLU 149 Cb 0.00 0.00 0.81 0.00 -0.06 0.00 0.00 31.44 32.19 2wh4 n GLU 149 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07