#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwa n ALA 2 N 0.00 -0.16 -1.26 -5.12 0.00 -1.26 -5.01 120.51 107.69 2wwa n ALA 2 Ca 0.00 -1.50 0.17 0.00 0.00 0.00 0.00 53.44 52.11 2wwa n ALA 2 Cb 0.00 0.18 -0.05 0.00 0.00 0.00 0.00 19.45 19.58 2wwa n ALA 2 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2wwa n ARG 3 N -2.63 -2.61 -0.09 0.00 0.00 -1.26 -5.02 116.66 105.04 2wwa n ARG 3 Ca 0.13 1.82 -0.11 0.00 -0.00 0.00 0.00 57.85 59.68 2wwa n ARG 3 Cb 0.46 -3.16 -0.04 0.00 -0.00 0.00 0.00 32.46 29.73 2wwa n ARG 3 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 2wwa h TYR 4 N -1.18 0.51 -0.00 2.89 3.20 -1.95 -3.48 116.97 116.96 2wwa h TYR 4 Ca -0.01 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.77 2wwa h TYR 4 Cb 1.16 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.30 2wwa h TYR 4 CO -1.86 0.61 -0.43 0.41 -1.64 0.00 0.00 178.16 175.25 2wwa n GLY 5 N -0.35 -1.16 3.45 1.82 0.00 -1.26 -4.84 105.19 102.86 2wwa n GLY 5 Ca -0.03 -0.35 -0.44 0.00 0.00 0.00 0.00 46.02 45.21 2wwa n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wwa s ALA 6 N -2.91 3.32 0.26 4.61 0.00 -1.26 -4.93 121.76 120.85 2wwa s ALA 6 Ca 0.14 -2.64 -0.04 0.00 0.00 0.00 0.00 51.96 49.41 2wwa s ALA 6 Cb 0.18 -4.03 0.34 0.00 0.00 0.00 0.00 23.12 19.61 2wwa s ALA 6 CO 0.66 -2.97 1.91 1.79 0.00 0.00 0.00 175.76 177.15 2wwa h THR 7 N 5.88 1.17 -3.55 0.00 1.35 -1.96 -3.44 112.91 112.36 2wwa h THR 7 Ca 0.10 -0.43 -0.53 0.00 -0.55 0.00 0.00 66.41 64.99 2wwa h THR 7 Cb 1.03 -0.21 0.09 0.00 -1.73 0.00 0.00 68.15 67.33 2wwa h THR 7 CO 1.13 0.23 0.85 -0.55 -0.25 0.00 0.00 175.52 176.93 2wwa s SER 8 N -6.01 6.36 0.00 5.36 0.15 -1.26 -4.90 113.70 113.40 2wwa s SER 8 Ca -0.13 2.99 0.00 0.00 0.70 0.00 0.00 55.95 59.51 2wwa s SER 8 Cb 0.19 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2wwa s SER 8 CO 0.82 -0.90 0.00 1.07 1.20 0.00 0.00 173.24 175.42 2wwa n THR 9 N 1.55 0.00 -4.52 6.45 5.66 -1.26 -5.08 114.28 117.07 2wwa n THR 9 Ca 0.06 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.75 2wwa n THR 9 Cb 0.38 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.09 2wwa n THR 9 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2wwa s ASN 10 N 1.25 4.23 0.00 1.09 2.47 -1.26 -4.86 114.94 117.86 2wwa s ASN 10 Ca 0.00 -1.50 0.22 0.00 0.42 0.00 0.00 52.86 52.00 2wwa s ASN 10 Cb 0.00 0.34 1.14 0.00 -1.45 0.00 0.00 41.25 41.28 2wwa s ASN 10 CO 0.00 -0.84 1.70 -0.81 -3.72 0.00 0.00 177.10 173.43 2wwa n PRO 11 N -1.34 0.39 -0.21 0.43 -0.04 -1.26 -1.41 135.00 131.56 2wwa n PRO 11 Ca -0.13 0.07 0.09 0.00 -0.04 0.00 0.00 63.50 63.48 2wwa n PRO 11 Cb 0.66 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.86 2wwa n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wwa n ALA 12 N -1.23 2.44 -2.57 0.55 0.00 -1.26 -3.76 120.51 114.69 2wwa n ALA 12 Ca 0.12 -0.81 0.01 0.00 0.00 0.00 0.00 53.44 52.75 2wwa n ALA 12 Cb 0.15 -0.97 0.03 0.00 0.00 0.00 0.00 19.45 18.66 2wwa n ALA 12 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wwa n LYS 13 N 0.88 0.70 -4.15 0.00 5.02 -0.50 -4.99 118.16 115.12 2wwa n LYS 13 Ca 0.17 -2.31 -0.09 0.00 -2.02 0.00 0.00 58.31 54.05 2wwa n LYS 13 Cb 0.42 -0.44 -0.10 0.00 -0.02 0.00 0.00 35.03 34.89 2wwa n LYS 13 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2wwa s SER 14 N -2.40 0.52 0.05 4.39 0.15 -1.22 -2.19 113.70 112.99 2wwa s SER 14 Ca 0.25 -1.14 -0.08 0.00 0.70 0.00 0.00 55.95 55.68 2wwa s SER 14 Cb 0.32 0.24 -0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2wwa s SER 14 CO -0.10 -0.66 0.17 0.00 1.20 0.00 0.00 173.24 173.84 2wwa s ALA 15 N -3.94 -0.25 -0.03 5.45 0.00 -1.24 -5.01 121.76 116.74 2wwa s ALA 15 Ca 0.19 -0.42 -0.12 0.00 0.00 0.00 0.00 51.96 51.61 2wwa s ALA 15 Cb 0.07 0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.52 2wwa s ALA 15 CO -0.01 -0.38 0.26 -1.12 0.00 0.00 0.00 175.76 174.51 2wwa s SER 16 N -2.25 -0.16 -0.02 0.00 0.01 -1.26 -2.72 113.70 107.30 2wwa s SER 16 Ca -0.03 0.13 -0.21 0.00 1.31 0.00 0.00 55.95 57.14 2wwa s SER 16 Cb 0.00 0.35 0.04 0.00 0.21 0.00 0.00 66.02 66.62 2wwa s SER 16 CO -0.05 -0.35 0.47 0.00 0.41 0.00 0.00 173.24 173.71 2wwa s ALA 17 N -1.01 -1.20 -0.09 1.44 0.00 -0.92 -4.71 121.76 115.28 2wwa s ALA 17 Ca -0.11 0.70 -0.09 0.00 0.00 0.00 0.00 51.96 52.47 2wwa s ALA 17 Cb -0.05 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.19 2wwa s ALA 17 CO 0.03 -0.33 0.25 1.03 0.00 0.00 0.00 175.76 176.73 2wwa s ARG 18 N -1.46 0.29 0.65 0.00 0.52 -1.26 -1.51 118.95 116.18 2wwa s ARG 18 Ca -0.11 0.34 -0.11 0.00 -0.52 0.00 0.00 55.73 55.33 2wwa s ARG 18 Cb -0.03 0.14 0.15 0.00 0.52 0.00 0.00 34.95 35.73 2wwa s ARG 18 CO 0.05 -0.04 0.88 0.41 0.02 0.00 0.00 175.30 176.63 2wwa n GLY 19 N 2.93 -1.26 3.15 -3.53 0.00 -0.74 -4.99 105.19 100.75 2wwa n GLY 19 Ca -0.13 -1.71 0.06 0.00 0.00 0.00 0.00 46.02 44.23 2wwa n GLY 19 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wwa s SER 20 N -4.24 -0.23 -1.19 1.61 0.15 -1.26 -4.03 113.70 104.50 2wwa s SER 20 Ca 0.50 0.11 -0.01 0.00 0.70 0.00 0.00 55.95 57.25 2wwa s SER 20 Cb -0.01 1.18 -0.01 0.00 -1.71 0.00 0.00 66.02 65.46 2wwa s SER 20 CO 0.35 -0.04 0.95 -1.22 1.20 0.00 0.00 173.24 174.48 2wwa n TYR 21 N 5.36 -2.19 -4.07 3.44 4.02 -1.25 -5.00 117.16 117.46 2wwa n TYR 21 Ca -0.03 0.91 -0.22 0.00 -0.01 0.00 0.00 57.90 58.55 2wwa n TYR 21 Cb 0.56 -4.87 -0.04 0.00 -0.02 0.00 0.00 39.34 34.97 2wwa n TYR 21 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2wwa s LEU 22 N -6.27 3.95 -0.95 7.72 1.43 -0.98 -4.99 118.68 118.59 2wwa s LEU 22 Ca 0.07 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 2wwa s LEU 22 Cb -0.01 -2.49 0.30 0.00 0.03 0.00 0.00 46.19 44.02 2wwa s LEU 22 CO 0.74 -0.04 1.34 0.54 0.23 0.00 0.00 176.35 179.16 2wwa n ARG 23 N -1.20 4.12 -3.93 1.70 1.74 -1.26 -1.60 116.66 116.23 2wwa n ARG 23 Ca -0.08 -4.61 -0.14 0.00 -0.77 0.00 0.00 57.85 52.25 2wwa n ARG 23 Cb 0.57 -2.44 -0.14 0.00 -1.02 0.00 0.00 32.46 29.43 2wwa n ARG 23 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2wwa s VAL 24 N -3.01 0.11 0.12 1.55 1.01 -1.21 -4.83 120.40 114.13 2wwa s VAL 24 Ca 0.35 -0.03 -0.13 0.00 0.00 0.00 0.00 61.98 62.18 2wwa s VAL 24 Cb 0.10 -0.12 -0.08 0.00 0.00 0.00 0.00 36.38 36.28 2wwa s VAL 24 CO 0.04 0.05 0.19 -0.24 0.00 0.00 0.00 175.10 175.14 2wwa n SER 25 N 3.23 -0.80 -0.01 3.32 2.88 -0.93 -1.87 113.62 119.43 2wwa n SER 25 Ca -0.15 0.50 -0.21 0.00 -1.33 0.00 0.00 58.87 57.68 2wwa n SER 25 Cb 0.58 -0.45 -0.14 0.00 -0.75 0.00 0.00 64.21 63.46 2wwa n SER 25 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2wwa h PHE 26 N 0.39 0.39 -0.33 0.66 3.57 -1.78 -3.34 116.94 116.49 2wwa h PHE 26 Ca -0.14 -0.28 -0.12 0.00 3.53 0.00 0.00 57.97 60.95 2wwa h PHE 26 Cb 0.69 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 2wwa h PHE 26 CO 0.18 1.55 -0.30 0.87 -2.23 0.00 0.00 178.31 178.38 2wwa h LYS 27 N -0.36 0.71 -0.02 1.11 1.57 -1.93 -3.06 116.57 114.58 2wwa h LYS 27 Ca -0.31 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 2wwa h LYS 27 Cb 1.72 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.01 2wwa h LYS 27 CO 0.03 0.92 -0.11 0.09 -0.57 0.00 0.00 179.45 179.82 2wwa n ASN 28 N -4.08 2.38 -0.00 0.86 4.13 -1.26 -4.16 115.26 113.13 2wwa n ASN 28 Ca -0.01 -1.69 0.06 0.00 1.68 0.00 0.00 54.58 54.62 2wwa n ASN 28 Cb 0.47 0.13 -0.08 0.00 -1.54 0.00 0.00 39.78 38.76 2wwa n ASN 28 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 2wwa n THR 29 N 0.76 0.00 0.11 3.41 -1.04 -1.23 -3.26 114.28 113.04 2wwa n THR 29 Ca 0.10 -0.22 -0.03 0.00 -2.04 0.00 0.00 64.05 61.86 2wwa n THR 29 Cb 0.46 0.82 0.11 0.00 -1.82 0.00 0.00 70.33 69.90 2wwa n THR 29 CO 0.00 0.00 0.00 0.08 -0.64 0.00 0.00 175.07 174.51 2wwa h ARG 30 N 0.00 0.04 -0.02 -2.82 0.11 -1.69 -1.49 114.38 108.51 2wwa h ARG 30 Ca 0.00 -0.04 -0.25 0.00 0.10 0.00 0.00 59.98 59.79 2wwa h ARG 30 Cb 0.38 0.01 0.02 0.00 1.11 0.00 0.00 29.97 31.48 2wwa h ARG 30 CO 0.00 0.72 -0.99 0.93 0.10 0.00 0.00 179.97 180.73 2wwa h GLU 31 N 0.03 0.68 -0.59 0.08 4.39 -1.73 -2.31 114.58 115.12 2wwa h GLU 31 Ca -0.01 -0.69 -0.10 0.00 0.34 0.00 0.00 59.36 58.89 2wwa h GLU 31 Cb 1.23 0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 30.05 2wwa h GLU 31 CO 0.09 1.28 -0.04 1.15 -1.16 0.00 0.00 179.01 180.34 2wwa h THR 32 N 0.40 1.27 -0.65 1.13 2.02 -1.56 -2.66 112.91 112.84 2wwa h THR 32 Ca -0.11 -1.20 -0.05 0.00 0.77 0.00 0.00 66.41 65.83 2wwa h THR 32 Cb 1.63 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.87 2wwa h THR 32 CO 0.19 0.43 0.22 0.00 0.37 0.00 0.00 175.52 176.73 2wwa h ALA 33 N 0.98 1.17 0.00 6.16 0.00 -1.28 -2.04 119.26 124.25 2wwa h ALA 33 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2wwa h ALA 33 Cb 0.60 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2wwa h ALA 33 CO 0.04 0.59 0.00 0.37 0.00 0.00 0.00 179.25 180.24 2wwa h GLN 34 N 0.95 0.00 -0.06 0.00 5.75 -1.30 -3.33 115.11 117.12 2wwa h GLN 34 Ca 0.22 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.72 2wwa h GLN 34 Cb 0.24 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.79 2wwa h GLN 34 CO -0.01 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 176.17 2wwa n ALA 35 N -1.96 2.07 -0.07 3.38 0.00 -0.92 -4.90 120.51 118.11 2wwa n ALA 35 Ca 0.04 -1.20 -0.08 0.00 0.00 0.00 0.00 53.44 52.20 2wwa n ALA 35 Cb 0.42 -0.12 -0.01 0.00 0.00 0.00 0.00 19.45 19.75 2wwa n ALA 35 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2wwa h ILE 36 N 0.36 0.91 0.00 0.00 2.04 -1.50 -3.47 117.51 115.84 2wwa h ILE 36 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2wwa h ILE 36 Cb 0.60 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 2wwa h ILE 36 CO 0.00 0.04 0.00 0.59 0.00 0.00 0.00 178.15 178.78 2wwa n ASN 37 N -5.05 0.00 -3.18 1.72 3.02 -1.26 -4.60 115.26 105.91 2wwa n ASN 37 Ca -0.01 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.56 2wwa n ASN 37 Cb 0.11 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.27 2wwa n ASN 37 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2wwa s GLY 38 N 0.00 -1.27 0.00 7.41 0.00 -1.26 -5.07 107.32 107.12 2wwa s GLY 38 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.27 2wwa s GLY 38 CO 0.00 3.70 0.00 0.79 0.00 0.00 0.00 173.10 177.59 2wwa n TRP 39 N 4.73 0.00 -2.37 1.90 7.02 -1.26 -4.77 117.44 122.69 2wwa n TRP 39 Ca 0.09 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.31 2wwa n TRP 39 Cb 0.56 -0.62 0.14 0.00 -2.42 0.00 0.00 31.31 28.97 2wwa n TRP 39 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 2wwa s GLU 40 N -5.59 1.22 0.23 -0.99 8.01 -1.26 -3.60 118.70 116.71 2wwa s GLU 40 Ca 0.00 -0.92 -0.06 0.00 0.01 0.00 0.00 54.97 54.00 2wwa s GLU 40 Cb 0.00 -2.15 0.21 0.00 -4.31 0.00 0.00 34.13 27.88 2wwa s GLU 40 CO 0.00 -1.86 1.78 -0.07 0.01 0.00 0.00 175.26 175.13 2wwa h LEU 41 N -0.97 1.03 -0.53 1.80 3.38 -1.97 -2.32 115.31 115.73 2wwa h LEU 41 Ca -0.39 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.30 2wwa h LEU 41 Cb 1.25 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2wwa h LEU 41 CO 0.38 0.93 -0.09 0.00 0.09 0.00 0.00 178.44 179.75 2wwa h THR 42 N 1.07 1.27 -0.53 0.22 1.03 -1.98 -1.22 112.91 112.77 2wwa h THR 42 Ca 0.24 -1.24 -0.09 0.00 -0.01 0.00 0.00 66.41 65.31 2wwa h THR 42 Cb 0.25 0.98 -0.02 0.00 -1.07 0.00 0.00 68.15 68.29 2wwa h THR 42 CO -0.01 0.44 -0.01 0.11 -0.01 0.00 0.00 175.52 176.03 2wwa h LYS 43 N 0.87 0.95 -0.59 0.00 1.79 -1.92 -1.87 116.57 115.80 2wwa h LYS 43 Ca 0.14 -0.31 -0.07 0.00 -2.18 0.00 0.00 60.65 58.23 2wwa h LYS 43 Cb 0.65 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.20 2wwa h LYS 43 CO 0.05 0.97 0.08 0.00 -1.08 0.00 0.00 179.45 179.46 2wwa h ALA 44 N 0.94 0.79 -0.12 3.86 0.00 -1.39 -2.66 119.26 120.68 2wwa h ALA 44 Ca 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2wwa h ALA 44 Cb 0.55 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2wwa h ALA 44 CO 0.03 0.56 0.02 0.37 0.00 0.00 0.00 179.25 180.23 2wwa h GLN 45 N 0.89 0.20 0.00 0.00 4.15 -1.08 -2.86 115.11 116.42 2wwa h GLN 45 Ca 0.18 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.45 2wwa h GLN 45 Cb 0.45 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 2wwa h GLN 45 CO 0.02 0.40 -0.46 0.87 -1.93 0.00 0.00 178.83 177.73 2wwa h LYS 46 N -0.02 0.00 -0.32 1.69 6.56 -1.39 -1.77 116.57 121.33 2wwa h LYS 46 Ca 0.04 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.57 2wwa h LYS 46 Cb 0.29 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.94 2wwa h LYS 46 CO 0.00 0.46 -0.02 -0.92 -2.06 0.00 0.00 179.45 176.91 2wwa h TYR 47 N 0.00 0.63 0.00 -1.35 3.20 -1.47 -2.45 116.97 115.53 2wwa h TYR 47 Ca -0.00 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.75 2wwa h TYR 47 Cb 1.15 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.25 2wwa h TYR 47 CO 0.00 0.72 0.00 -0.07 -1.64 0.00 0.00 178.16 177.17 2wwa h LEU 48 N 0.37 0.00 0.01 2.82 3.38 -1.26 -1.37 115.31 119.25 2wwa h LEU 48 Ca 0.09 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.79 2wwa h LEU 48 Cb 0.48 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.25 2wwa h LEU 48 CO 0.02 0.00 -1.03 -0.33 0.09 0.00 0.00 178.44 177.19 2wwa h GLU 49 N 0.00 0.69 0.00 1.13 5.08 -1.29 -3.23 114.58 116.96 2wwa h GLU 49 Ca 0.00 -0.75 -0.02 0.00 -1.00 0.00 0.00 59.36 57.59 2wwa h GLU 49 Cb 0.81 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 2wwa h GLU 49 CO 0.00 1.32 -0.10 1.96 -1.00 0.00 0.00 179.01 181.19 2wwa h GLN 50 N 0.36 0.00 -0.60 2.33 4.20 -1.18 -2.99 115.11 117.23 2wwa h GLN 50 Ca -0.13 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 2wwa h GLN 50 Cb 1.69 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.44 2wwa h GLN 50 CO 0.20 0.10 0.26 0.28 -0.67 0.00 0.00 178.83 179.00 2wwa h VAL 51 N 0.00 1.22 -0.64 -0.54 2.07 -1.31 -1.00 116.25 116.05 2wwa h VAL 51 Ca -0.00 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 2wwa h VAL 51 Cb 0.89 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2wwa h VAL 51 CO 0.01 0.26 0.33 0.25 0.02 0.00 0.00 177.57 178.44 2wwa h LEU 52 N 0.82 0.82 -0.01 2.57 7.12 -1.54 -3.18 115.31 121.91 2wwa h LEU 52 Ca 0.20 -0.11 -0.00 0.00 0.13 0.00 0.00 57.88 58.10 2wwa h LEU 52 Cb 0.16 -0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 40.09 2wwa h LEU 52 CO -0.02 0.70 -0.01 0.44 -0.13 0.00 0.00 178.44 179.42 2wwa h ASP 53 N 0.87 0.02 0.00 1.25 3.32 -1.51 -3.46 116.42 116.91 2wwa h ASP 53 Ca 0.22 -0.54 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2wwa h ASP 53 Cb 0.08 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2wwa h ASP 53 CO -0.03 0.55 0.00 1.57 -1.72 0.00 0.00 179.24 179.61 2wwa n HIS 54 N -4.82 0.00 -2.91 4.55 -0.00 -0.54 -5.05 115.22 106.44 2wwa n HIS 54 Ca -0.09 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.75 2wwa n HIS 54 Cb 0.28 0.02 -0.02 0.00 -0.12 0.00 0.00 29.99 30.15 2wwa n HIS 54 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 2wwa n GLN 55 N 0.00 4.09 0.00 1.57 -0.06 -0.49 -4.98 117.38 117.51 2wwa n GLN 55 Ca 0.00 -4.73 0.00 0.00 -2.00 0.00 0.00 57.00 50.27 2wwa n GLN 55 Cb 0.10 -2.36 0.00 0.00 -4.06 0.00 0.00 30.24 23.92 2wwa n GLN 55 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2wwa n ARG 56 N 0.19 0.00 -1.45 3.69 5.12 -1.26 -4.28 116.66 118.67 2wwa n ARG 56 Ca 0.36 0.00 0.19 0.00 -1.93 0.00 0.00 57.85 56.46 2wwa n ARG 56 Cb 0.34 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.57 2wwa n ARG 56 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wwa n ALA 57 N 7.31 -3.80 -3.06 7.54 0.00 -1.26 -4.60 120.51 122.64 2wwa n ALA 57 Ca 0.00 0.66 -0.12 0.00 0.00 0.00 0.00 53.44 53.98 2wwa n ALA 57 Cb 0.00 -1.43 -0.12 0.00 0.00 0.00 0.00 19.45 17.89 2wwa n ALA 57 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2wwa s ILE 58 N -3.13 -0.00 0.23 0.00 2.07 -1.26 -4.91 121.20 114.19 2wwa s ILE 58 Ca 0.00 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 58.95 2wwa s ILE 58 Cb 0.00 -0.23 -0.16 0.00 0.13 0.00 0.00 42.46 42.20 2wwa s ILE 58 CO 0.00 0.00 0.85 -2.65 -1.91 0.00 0.00 174.94 171.23 2wwa n PRO 59 N 3.03 0.77 -3.87 3.50 -0.02 -1.26 -4.92 135.00 132.23 2wwa n PRO 59 Ca -0.13 0.27 -0.36 0.00 -2.02 0.00 0.00 63.50 61.27 2wwa n PRO 59 Cb 0.59 -1.53 -0.13 0.00 -0.02 0.00 0.00 33.50 32.41 2wwa n PRO 59 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2wwa s PHE 60 N -0.88 3.24 0.01 6.00 0.40 -1.26 -4.83 117.98 120.67 2wwa s PHE 60 Ca 0.64 -1.72 -0.21 0.00 -0.60 0.00 0.00 56.93 55.04 2wwa s PHE 60 Cb -0.83 -2.14 -0.19 0.00 0.51 0.00 0.00 43.02 40.37 2wwa s PHE 60 CO 0.57 -0.77 1.20 0.00 0.70 0.00 0.00 175.22 176.92 2wwa h ARG 61 N 8.05 0.35 0.00 0.44 -0.00 -1.93 -3.43 114.38 117.86 2wwa h ARG 61 Ca -0.23 -0.27 0.00 0.00 -0.50 0.00 0.00 59.98 58.98 2wwa h ARG 61 Cb 1.07 0.05 0.00 0.00 0.00 0.00 0.00 29.97 31.09 2wwa h ARG 61 CO 0.55 0.91 -0.30 -2.13 0.00 0.00 0.00 179.97 179.00 2wwa n ARG 62 N -4.42 2.61 -3.27 0.04 3.00 -1.26 -4.80 116.66 108.56 2wwa n ARG 62 Ca -0.08 0.00 -0.45 0.00 -0.00 0.00 0.00 57.85 57.32 2wwa n ARG 62 Cb 0.50 -0.65 -0.00 0.00 0.00 0.00 0.00 32.46 32.30 2wwa n ARG 62 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 2wwa s PHE 63 N -0.96 4.08 -0.07 -0.14 5.36 -1.26 -4.69 117.98 120.29 2wwa s PHE 63 Ca 0.00 -2.50 0.10 0.00 -0.96 0.00 0.00 56.93 53.57 2wwa s PHE 63 Cb 0.00 -3.91 0.15 0.00 -0.34 0.00 0.00 43.02 38.91 2wwa s PHE 63 CO 0.00 -1.03 1.05 0.27 -1.46 0.00 0.00 175.22 174.05 2wwa n ASN 64 N 3.36 1.32 -4.75 6.13 0.23 -1.26 -4.86 115.26 115.43 2wwa n ASN 64 Ca 0.24 -2.51 -0.41 0.00 -0.53 0.00 0.00 54.58 51.38 2wwa n ASN 64 Cb 0.41 -0.29 0.01 0.00 -2.08 0.00 0.00 39.78 37.82 2wwa n ASN 64 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2wwa n SER 65 N -0.76 3.32 -4.71 0.53 3.41 -1.26 -4.94 113.62 109.21 2wwa n SER 65 Ca 0.08 1.18 -0.42 0.00 -0.26 0.00 0.00 58.87 59.45 2wwa n SER 65 Cb 0.63 -1.58 -0.03 0.00 -0.26 0.00 0.00 64.21 62.98 2wwa n SER 65 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2wwa s SER 66 N -0.30 6.92 0.18 4.04 0.15 -1.26 -4.94 113.70 118.48 2wwa s SER 66 Ca 0.57 2.15 0.00 0.00 0.70 0.00 0.00 55.95 59.36 2wwa s SER 66 Cb -0.49 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.25 2wwa s SER 66 CO 0.61 -0.62 0.00 0.00 1.20 0.00 0.00 173.24 174.44 2wwa n ILE 67 N 4.19 0.00 0.00 6.45 3.06 -1.26 -5.18 119.36 126.62 2wwa n ILE 67 Ca 0.11 0.13 0.00 0.00 -2.50 0.00 0.00 62.75 60.49 2wwa n ILE 67 Cb 0.44 -0.33 0.00 0.00 0.54 0.00 0.00 39.64 40.29 2wwa n ILE 67 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2wwa n GLY 68 N -2.92 1.33 3.36 4.50 0.00 -1.26 -5.08 105.19 105.11 2wwa n GLY 68 Ca -0.01 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 2wwa n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wwa s ARG 69 N 3.09 3.12 -0.01 1.61 3.00 -1.26 -5.11 118.95 123.39 2wwa s ARG 69 Ca 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 55.73 54.92 2wwa s ARG 69 Cb 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 34.95 32.45 2wwa s ARG 69 CO 0.00 0.29 0.15 0.95 0.00 0.00 0.00 175.30 176.70 2wwa s THR 70 N 0.12 0.07 0.00 0.02 -4.23 -1.26 -5.08 115.64 105.28 2wwa s THR 70 Ca -0.08 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 2wwa s THR 70 Cb -0.15 -0.43 0.00 0.00 1.34 0.00 0.00 72.50 73.26 2wwa s THR 70 CO 0.05 -0.33 0.00 0.00 -0.54 0.00 0.00 174.62 173.80 2wwa n ALA 71 N 1.59 0.00 -2.40 3.99 0.00 -1.21 -4.71 120.51 117.78 2wwa n ALA 71 Ca -0.22 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.14 2wwa n ALA 71 Cb 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.93 2wwa n ALA 71 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2wwa s GLN 72 N 4.09 0.76 0.00 0.00 0.00 -1.26 -5.12 119.66 118.13 2wwa s GLN 72 Ca 0.00 -1.04 0.00 0.00 -0.00 0.00 0.00 55.36 54.32 2wwa s GLN 72 Cb 0.00 0.29 0.00 0.00 0.00 0.00 0.00 33.01 33.30 2wwa s GLN 72 CO 0.00 -0.21 0.00 0.41 0.00 0.00 0.00 175.29 175.49 2wwa n GLY 73 N 0.02 2.59 7.00 2.60 0.00 -1.26 -4.75 105.19 111.39 2wwa n GLY 73 Ca -0.15 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2wwa n GLY 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wwa n LYS 74 N 0.00 0.00 -2.34 1.61 4.76 -1.26 -5.12 118.16 115.81 2wwa n LYS 74 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 2wwa n LYS 74 Cb 0.00 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.21 2wwa n LYS 74 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2wwa n GLU 75 N 14.00 -1.20 -2.97 1.97 -0.58 -1.26 -5.02 120.64 125.58 2wwa n GLU 75 Ca 0.00 0.15 -0.43 0.00 -0.42 0.00 0.00 57.16 56.46 2wwa n GLU 75 Cb 0.00 -3.08 -0.05 0.00 -0.57 0.00 0.00 31.44 27.73 2wwa n GLU 75 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2wwa s PHE 76 N -3.06 2.98 0.00 -0.32 0.40 -1.26 -3.92 117.98 112.80 2wwa s PHE 76 Ca 0.02 0.08 0.00 0.00 -0.60 0.00 0.00 56.93 56.44 2wwa s PHE 76 Cb -0.01 -3.68 0.00 0.00 0.51 0.00 0.00 43.02 39.84 2wwa s PHE 76 CO 0.13 -1.03 0.00 0.41 0.70 0.00 0.00 175.22 175.43 2wwa n GLY 77 N 5.02 0.80 3.37 4.36 0.00 -1.26 -4.96 105.19 112.52 2wwa n GLY 77 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 2wwa n GLY 77 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wwa s VAL 78 N -3.23 0.00 0.00 1.61 -7.23 -1.25 -4.97 120.40 105.33 2wwa s VAL 78 Ca 0.00 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 2wwa s VAL 78 Cb 0.00 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.41 2wwa s VAL 78 CO 0.00 0.00 0.00 0.41 -0.31 0.00 0.00 175.10 175.20 2wwa n THR 79 N -0.52 0.00 -3.91 5.32 -1.04 -1.26 -4.70 114.28 108.16 2wwa n THR 79 Ca 0.03 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.74 2wwa n THR 79 Cb 0.63 0.60 -0.14 0.00 -1.82 0.00 0.00 70.33 69.60 2wwa n THR 79 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2wwa s LYS 80 N 0.00 1.78 0.30 -2.82 3.01 -1.26 -3.30 119.74 117.45 2wwa s LYS 80 Ca 0.00 -2.41 -0.04 0.00 -1.01 0.00 0.00 55.97 52.51 2wwa s LYS 80 Cb 0.00 -3.10 -0.05 0.00 -1.01 0.00 0.00 37.83 33.67 2wwa s LYS 80 CO 0.00 -1.10 0.55 0.00 0.51 0.00 0.00 175.35 175.31 2wwa s ALA 81 N -0.03 3.64 0.00 5.17 0.00 -1.26 -4.43 121.76 124.85 2wwa s ALA 81 Ca 0.16 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2wwa s ALA 81 Cb -0.25 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.61 2wwa s ALA 81 CO -0.01 0.18 0.00 0.54 0.00 0.00 0.00 175.76 176.47 2wwa n ARG 82 N -1.13 1.97 -2.73 0.00 1.74 -1.26 -5.01 116.66 110.24 2wwa n ARG 82 Ca -0.02 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.98 2wwa n ARG 82 Cb 0.54 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 32.05 2wwa n ARG 82 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 2wwa n TRP 83 N 0.00 -2.56 -3.24 -1.55 2.14 -1.26 -4.11 117.44 106.86 2wwa n TRP 83 Ca 0.00 -1.53 -0.40 0.00 2.07 0.00 0.00 57.50 57.64 2wwa n TRP 83 Cb 0.00 1.46 -0.08 0.00 -0.81 0.00 0.00 31.31 31.88 2wwa n TRP 83 CO 0.00 0.00 0.00 -1.25 2.07 0.00 0.00 177.69 178.51 2wwa s PRO 84 N 0.49 4.06 0.00 -2.67 0.04 -1.26 -4.85 135.00 130.81 2wwa s PRO 84 Ca 0.29 0.31 0.25 0.00 0.04 0.00 0.00 61.00 61.88 2wwa s PRO 84 Cb 0.24 -3.65 0.54 0.00 0.04 0.00 0.00 34.50 31.66 2wwa s PRO 84 CO -0.19 -0.35 1.46 0.00 0.04 0.00 0.00 177.00 177.96 2wwa n ALA 85 N 5.54 2.49 -0.08 8.56 0.00 -1.26 -4.08 120.51 131.69 2wwa n ALA 85 Ca -0.04 -0.66 -0.13 0.00 0.00 0.00 0.00 53.44 52.62 2wwa n ALA 85 Cb 0.50 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 2wwa n ALA 85 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wwa h LYS 86 N 3.70 0.51 0.00 0.00 1.63 -2.01 -3.11 116.57 117.29 2wwa h LYS 86 Ca 0.00 -0.24 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 2wwa h LYS 86 Cb 0.79 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 2wwa h LYS 86 CO 0.00 0.81 -0.20 0.77 -3.45 0.00 0.00 179.45 177.38 2wwa h SER 87 N 0.22 0.00 -0.27 4.20 0.02 -1.93 -3.24 113.55 112.55 2wwa h SER 87 Ca 0.05 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.88 2wwa h SER 87 Cb 0.68 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 2wwa h SER 87 CO 0.04 0.01 -0.23 0.58 -1.14 0.00 0.00 176.83 176.09 2wwa h VAL 88 N 0.00 1.31 -0.51 2.27 2.07 -1.71 -2.98 116.25 116.70 2wwa h VAL 88 Ca 0.00 -1.39 -0.09 0.00 0.82 0.00 0.00 66.70 66.05 2wwa h VAL 88 Cb 0.92 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 2wwa h VAL 88 CO 0.00 0.44 -0.03 0.50 0.02 0.00 0.00 177.57 178.50 2wwa h LYS 89 N 0.36 0.87 -0.45 1.57 3.64 -1.56 -1.56 116.57 119.44 2wwa h LYS 89 Ca 0.05 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.12 2wwa h LYS 89 Cb 0.79 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 2wwa h LYS 89 CO 0.06 0.89 0.12 0.35 -2.27 0.00 0.00 179.45 178.59 2wwa h PHE 90 N 0.80 0.75 0.00 1.91 3.57 -1.61 -1.63 116.94 120.73 2wwa h PHE 90 Ca 0.15 -0.09 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 2wwa h PHE 90 Cb 0.52 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 2wwa h PHE 90 CO 0.03 0.68 -0.69 0.28 -2.23 0.00 0.00 178.31 176.39 2wwa h VAL 91 N 0.59 0.90 -0.13 1.41 2.07 -1.43 -2.62 116.25 117.04 2wwa h VAL 91 Ca 0.14 -2.31 -0.13 0.00 0.82 0.00 0.00 66.70 65.22 2wwa h VAL 91 Cb 0.31 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 2wwa h VAL 91 CO -0.00 0.51 -0.48 1.56 0.02 0.00 0.00 177.57 179.19 2wwa h GLN 92 N 0.00 0.34 0.00 1.57 1.08 -1.22 -1.61 115.11 115.27 2wwa h GLN 92 Ca -0.03 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 2wwa h GLN 92 Cb 1.46 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.90 2wwa h GLN 92 CO 0.07 0.74 -0.02 0.41 -0.95 0.00 0.00 178.83 179.09 2wwa n GLY 93 N 0.02 -1.59 0.12 3.46 0.00 -0.62 -2.12 105.19 104.47 2wwa n GLY 93 Ca -0.02 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 2wwa n GLY 93 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wwa h LEU 94 N 0.00 0.37 -0.76 0.99 6.46 -1.24 -3.35 115.31 117.79 2wwa h LEU 94 Ca 0.00 -0.85 -0.11 0.00 -0.12 0.00 0.00 57.88 56.80 2wwa h LEU 94 Cb 0.61 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 2wwa h LEU 94 CO 0.00 1.63 -0.24 -0.07 -0.62 0.00 0.00 178.44 179.14 2wwa h LEU 95 N -0.31 0.69 -0.81 2.25 3.38 -1.24 -2.24 115.31 117.04 2wwa h LEU 95 Ca -0.31 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.30 2wwa h LEU 95 Cb 1.76 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 2wwa h LEU 95 CO 0.05 0.91 -0.30 0.06 0.09 0.00 0.00 178.44 179.25 2wwa h GLN 96 N 0.60 0.54 -0.12 1.13 3.07 -1.61 -0.91 115.11 117.81 2wwa h GLN 96 Ca 0.08 -0.23 -0.13 0.00 0.09 0.00 0.00 58.65 58.46 2wwa h GLN 96 Cb 0.72 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.25 2wwa h GLN 96 CO 0.06 0.79 -0.51 -0.97 0.09 0.00 0.00 178.83 178.28 2wwa h ASN 97 N 0.47 0.36 1.49 0.06 -0.73 -1.66 -2.23 115.58 113.34 2wwa h ASN 97 Ca 0.06 -0.18 0.00 0.00 1.87 0.00 0.00 56.30 58.05 2wwa h ASN 97 Cb 0.76 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.25 2wwa h ASN 97 CO 0.06 0.81 -0.08 0.00 -0.37 0.00 0.00 177.43 177.85 2wwa h ALA 98 N 1.20 0.95 -0.02 1.57 0.00 -1.06 -1.64 119.26 120.26 2wwa h ALA 98 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wwa h ALA 98 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2wwa h ALA 98 CO 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 179.25 179.25 2wwa n ALA 99 N -1.85 2.65 -0.02 0.00 0.00 -0.38 -2.27 120.51 118.64 2wwa n ALA 99 Ca 0.05 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2wwa n ALA 99 Cb 0.45 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.32 2wwa n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wwa n ALA 100 N 0.69 2.39 0.55 0.00 0.00 -0.85 -4.07 120.51 119.22 2wwa n ALA 100 Ca 0.09 -0.56 0.06 0.00 0.00 0.00 0.00 53.44 53.03 2wwa n ALA 100 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.83 2wwa n ALA 100 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2wwa n ASN 101 N -0.07 1.07 -3.59 0.00 3.02 -0.62 -4.37 115.26 110.70 2wwa n ASN 101 Ca 0.00 -1.03 -0.33 0.00 -0.03 0.00 0.00 54.58 53.18 2wwa n ASN 101 Cb 0.04 0.66 -0.04 0.00 -0.61 0.00 0.00 39.78 39.83 2wwa n ASN 101 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wwa n ALA 102 N -0.59 4.66 -1.36 5.41 0.00 -0.96 -4.33 120.51 123.34 2wwa n ALA 102 Ca 0.04 -4.77 0.00 0.00 0.00 0.00 0.00 53.44 48.71 2wwa n ALA 102 Cb 0.23 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.21 2wwa n ALA 102 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2wwa n GLU 103 N 0.84 0.00 -0.00 0.00 4.07 -1.26 -4.70 120.64 119.59 2wwa n GLU 103 Ca 0.30 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.40 2wwa n GLU 103 Cb 0.37 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.75 2wwa n GLU 103 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wwa n ALA 104 N 0.00 1.85 -0.12 4.31 0.00 -1.26 -4.96 120.51 120.34 2wwa n ALA 104 Ca 0.00 -0.94 -0.10 0.00 0.00 0.00 0.00 53.44 52.40 2wwa n ALA 104 Cb 0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.52 2wwa n ALA 104 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2wwa h LYS 105 N 0.00 0.57 0.00 0.00 -0.00 -1.89 -3.47 116.57 111.78 2wwa h LYS 105 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 60.65 60.50 2wwa h LYS 105 Cb 0.58 -0.07 0.00 0.00 -0.00 0.00 0.00 32.23 32.74 2wwa h LYS 105 CO 0.00 0.64 -0.95 0.41 -0.00 0.00 0.00 179.45 179.55 2wwa n GLY 106 N -0.51 -0.22 1.95 0.07 0.00 -1.26 -5.07 105.19 100.16 2wwa n GLY 106 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2wwa n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wwa n LEU 107 N -1.53 0.00 -0.06 0.99 4.32 -1.26 -4.97 117.00 114.49 2wwa n LEU 107 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2wwa n LEU 107 Cb 0.22 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.02 2wwa n LEU 107 CO 0.22 0.00 -0.02 -0.90 -1.22 0.00 0.00 177.39 175.47 2wwa n ASP 108 N 1.08 -0.34 0.00 -1.43 5.68 -1.26 -5.08 116.55 115.20 2wwa n ASP 108 Ca 0.00 0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.36 2wwa n ASP 108 Cb 0.00 0.69 0.00 0.00 -1.14 0.00 0.00 41.12 40.67 2wwa n ASP 108 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wwa n ALA 109 N -1.58 0.00 -1.31 2.12 0.00 -1.26 -4.94 120.51 113.53 2wwa n ALA 109 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wwa n ALA 109 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 2wwa n ALA 109 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wwa n THR 110 N 0.00 0.00 0.00 0.00 -2.24 -1.26 -4.90 114.28 105.88 2wwa n THR 110 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2wwa n THR 110 Cb 0.00 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 2wwa n THR 110 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2wwa n LYS 111 N 0.00 0.00 0.00 -0.78 4.01 -1.26 -4.92 118.16 115.20 2wwa n LYS 111 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2wwa n LYS 111 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 2wwa n LYS 111 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 2wwa n LEU 112 N 0.00 0.00 0.00 -0.35 -0.00 -1.26 -4.57 117.00 110.82 2wwa n LEU 112 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2wwa n LEU 112 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2wwa n LEU 112 CO 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 177.39 177.02 2wwa n TYR 113 N 0.00 0.00 -2.81 1.96 9.36 -1.24 -3.09 117.16 121.34 2wwa n TYR 113 Ca 0.00 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.79 2wwa n TYR 113 Cb 0.00 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 38.67 2wwa n TYR 113 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2wwa s VAL 114 N 0.00 4.32 0.07 2.97 1.01 -1.25 -3.30 120.40 124.22 2wwa s VAL 114 Ca 0.00 0.19 -0.19 0.00 0.00 0.00 0.00 61.98 61.98 2wwa s VAL 114 Cb 0.00 -4.60 -0.11 0.00 0.00 0.00 0.00 36.38 31.67 2wwa s VAL 114 CO 0.00 -1.24 1.44 -1.28 0.00 0.00 0.00 175.10 174.02 2wwa h SER 115 N 9.42 0.44 -4.82 3.32 0.87 -1.88 -3.46 113.55 117.43 2wwa h SER 115 Ca -0.27 -0.40 -0.08 0.00 -1.23 0.00 0.00 61.79 59.81 2wwa h SER 115 Cb 1.07 -0.12 -0.20 0.00 -0.44 0.00 0.00 62.40 62.71 2wwa h SER 115 CO 1.12 0.74 -0.01 -2.28 -0.53 0.00 0.00 176.83 175.87 2wwa s HIS 116 N -4.64 -0.49 -0.12 2.24 2.46 -1.21 -5.06 115.29 108.47 2wwa s HIS 116 Ca -0.14 0.89 -0.14 0.00 0.47 0.00 0.00 55.06 56.15 2wwa s HIS 116 Cb 0.07 0.27 0.04 0.00 -0.13 0.00 0.00 32.58 32.82 2wwa s HIS 116 CO 0.76 -0.48 0.38 -1.50 -2.47 0.00 0.00 174.74 171.42 2wwa s ILE 117 N -0.99 0.01 -0.04 0.89 2.07 -1.26 -2.73 121.20 119.15 2wwa s ILE 117 Ca -0.10 -0.07 -0.14 0.00 -1.41 0.00 0.00 60.65 58.93 2wwa s ILE 117 Cb -0.02 -0.56 0.02 0.00 0.13 0.00 0.00 42.46 42.03 2wwa s ILE 117 CO 0.06 -0.04 0.31 0.00 -1.91 0.00 0.00 174.94 173.37 2wwa s GLN 118 N -0.05 0.61 0.02 3.50 -2.07 -1.07 -4.97 119.66 115.63 2wwa s GLN 118 Ca -0.02 -0.06 0.08 0.00 -1.82 0.00 0.00 55.36 53.53 2wwa s GLN 118 Cb -0.03 0.27 -0.02 0.00 -1.09 0.00 0.00 33.01 32.14 2wwa s GLN 118 CO 0.01 -0.15 -0.23 0.54 -1.32 0.00 0.00 175.29 174.13 2wwa s VAL 119 N -1.02 1.88 0.25 3.63 0.11 -1.26 -2.09 120.40 121.90 2wwa s VAL 119 Ca -0.11 -1.17 0.10 0.00 -2.93 0.00 0.00 61.98 57.88 2wwa s VAL 119 Cb -0.05 -1.59 -0.05 0.00 -1.53 0.00 0.00 36.38 33.16 2wwa s VAL 119 CO 0.03 0.39 -0.09 0.20 -3.33 0.00 0.00 175.10 172.30 2wwa s ASN 120 N -0.93 4.17 -0.39 3.54 0.02 -0.23 -5.03 114.94 116.09 2wwa s ASN 120 Ca 0.09 -0.76 -0.20 0.00 -1.02 0.00 0.00 52.86 50.98 2wwa s ASN 120 Cb -0.09 -0.64 0.01 0.00 0.02 0.00 0.00 41.25 40.55 2wwa s ASN 120 CO 0.01 0.03 0.60 -1.58 0.02 0.00 0.00 177.10 176.18 2wwa s GLN 121 N -3.45 3.47 -0.15 -0.60 0.74 -1.26 -3.42 119.66 114.99 2wwa s GLN 121 Ca 0.30 -0.21 -0.25 0.00 0.05 0.00 0.00 55.36 55.24 2wwa s GLN 121 Cb -0.06 -3.87 -0.22 0.00 1.10 0.00 0.00 33.01 29.95 2wwa s GLN 121 CO 0.17 -0.83 0.59 0.00 -0.55 0.00 0.00 175.29 174.67 2wwa h ALA 122 N 8.65 0.05 -3.00 1.58 0.00 -1.90 -3.48 119.26 121.16 2wwa h ALA 122 Ca -0.26 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2wwa h ALA 122 Cb 1.11 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2wwa h ALA 122 CO 0.84 0.13 0.00 -0.35 0.00 0.00 0.00 179.25 179.87 2wwa n PRO 123 N -4.59 0.00 -4.86 0.00 -0.04 -1.26 -5.02 135.00 119.22 2wwa n PRO 123 Ca -0.13 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.06 2wwa n PRO 123 Cb 0.47 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.77 2wwa n PRO 123 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2wwa s LYS 124 N 2.50 1.88 0.37 0.54 3.01 -1.26 -4.37 119.74 122.41 2wwa s LYS 124 Ca 0.00 -0.63 -0.27 0.00 -1.01 0.00 0.00 55.97 54.06 2wwa s LYS 124 Cb 0.00 -1.61 -0.09 0.00 -1.01 0.00 0.00 37.83 35.11 2wwa s LYS 124 CO 0.00 0.24 1.31 -0.65 0.51 0.00 0.00 175.35 176.75 2wwa s GLN 125 N 0.07 4.15 -0.16 1.68 -0.21 -1.22 -5.02 119.66 118.95 2wwa s GLN 125 Ca -0.05 2.19 0.01 0.00 0.02 0.00 0.00 55.36 57.53 2wwa s GLN 125 Cb -0.12 -2.90 0.02 0.00 1.00 0.00 0.00 33.01 31.01 2wwa s GLN 125 CO 0.03 -0.35 -0.18 -0.98 -2.12 0.00 0.00 175.29 171.68 2wwa s ARG 126 N -2.04 2.75 0.33 2.91 1.70 -1.26 -3.82 118.95 119.51 2wwa s ARG 126 Ca 0.53 -0.74 -0.04 0.00 -0.47 0.00 0.00 55.73 55.02 2wwa s ARG 126 Cb -0.39 -2.38 0.00 0.00 -0.57 0.00 0.00 34.95 31.61 2wwa s ARG 126 CO 0.51 -0.19 0.46 1.03 -1.08 0.00 0.00 175.30 176.03 2wwa s ARG 127 N 1.27 1.84 0.08 3.89 0.52 -0.89 -5.06 118.95 120.61 2wwa s ARG 127 Ca 0.03 -1.70 0.01 0.00 -0.52 0.00 0.00 55.73 53.55 2wwa s ARG 127 Cb -0.13 0.44 -0.04 0.00 0.52 0.00 0.00 34.95 35.74 2wwa s ARG 127 CO -0.10 -0.76 -0.06 1.03 0.02 0.00 0.00 175.30 175.43 2wwa s ARG 128 N -3.20 0.73 -0.08 3.54 0.52 -1.26 -2.08 118.95 117.11 2wwa s ARG 128 Ca 0.30 -1.23 0.00 0.00 -0.52 0.00 0.00 55.73 54.28 2wwa s ARG 128 Cb -0.00 -0.09 0.02 0.00 0.52 0.00 0.00 34.95 35.40 2wwa s ARG 128 CO 0.19 -0.04 -0.06 -0.08 0.02 0.00 0.00 175.30 175.33 2wwa s THR 129 N -3.45 0.79 0.54 0.02 -1.32 -0.76 -4.77 115.64 106.68 2wwa s THR 129 Ca 0.08 -0.19 -0.21 0.00 -1.21 0.00 0.00 61.69 60.16 2wwa s THR 129 Cb 0.04 -0.82 -0.05 0.00 -1.51 0.00 0.00 72.50 70.16 2wwa s THR 129 CO -0.06 0.31 1.25 -0.31 -2.21 0.00 0.00 174.62 173.60 2wwa s TYR 130 N 1.43 2.48 0.00 9.09 2.02 -1.26 -2.46 117.35 128.66 2wwa s TYR 130 Ca -0.02 1.47 0.00 0.00 -0.37 0.00 0.00 57.07 58.16 2wwa s TYR 130 Cb -0.13 -3.56 0.00 0.00 -0.40 0.00 0.00 41.96 37.86 2wwa s TYR 130 CO -0.04 -2.26 0.00 -2.13 -1.57 0.00 0.00 175.55 169.55 2wwa n ARG 131 N -1.10 0.00 -3.75 -0.62 0.63 -1.26 -4.91 116.66 105.65 2wwa n ARG 131 Ca 0.11 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.91 2wwa n ARG 131 Cb 0.48 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.28 2wwa n ARG 131 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wwa s ALA 132 N -1.67 -0.80 -1.46 5.13 0.00 -1.23 -4.96 121.76 116.77 2wwa s ALA 132 Ca 0.00 0.97 -0.08 0.00 0.00 0.00 0.00 51.96 52.85 2wwa s ALA 132 Cb 0.00 -0.57 0.02 0.00 0.00 0.00 0.00 23.12 22.57 2wwa s ALA 132 CO 0.00 -0.17 0.87 0.72 0.00 0.00 0.00 175.76 177.19 2wwa n HIS 133 N 3.13 -2.36 -0.95 0.00 8.25 -1.26 -2.16 115.22 119.87 2wwa n HIS 133 Ca -0.15 0.76 0.00 0.00 -0.26 0.00 0.00 57.72 58.07 2wwa n HIS 133 Cb 0.57 -4.53 0.00 0.00 1.12 0.00 0.00 29.99 27.16 2wwa n HIS 133 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wwa n GLY 134 N -1.71 0.83 3.88 -1.41 0.00 -1.26 -5.00 105.19 100.51 2wwa n GLY 134 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 2wwa n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wwa s ARG 135 N -0.12 3.70 -0.07 1.61 0.52 -0.92 -5.09 118.95 118.58 2wwa s ARG 135 Ca 0.00 0.08 -0.07 0.00 -0.52 0.00 0.00 55.73 55.21 2wwa s ARG 135 Cb 0.00 -2.98 0.02 0.00 0.52 0.00 0.00 34.95 32.51 2wwa s ARG 135 CO 0.00 0.56 0.20 -1.50 0.02 0.00 0.00 175.30 174.58 2wwa s ILE 136 N -1.43 0.01 0.27 1.52 2.07 -1.26 -3.52 121.20 118.86 2wwa s ILE 136 Ca 0.34 -0.05 0.08 0.00 -1.41 0.00 0.00 60.65 59.61 2wwa s ILE 136 Cb -0.13 -0.31 -0.04 0.00 0.13 0.00 0.00 42.46 42.11 2wwa s ILE 136 CO 0.19 -0.03 0.10 0.21 -1.91 0.00 0.00 174.94 173.50 2wwa s ASN 137 N -0.00 4.96 0.58 4.50 2.47 -1.03 -4.98 114.94 121.45 2wwa s ASN 137 Ca -0.01 -0.50 -0.19 0.00 0.42 0.00 0.00 52.86 52.58 2wwa s ASN 137 Cb -0.02 -1.06 -0.04 0.00 -1.45 0.00 0.00 41.25 38.68 2wwa s ASN 137 CO 0.00 -0.05 1.18 -0.54 -3.72 0.00 0.00 177.10 173.97 2wwa s LYS 138 N -3.77 3.08 -0.08 0.43 3.01 -1.26 -1.83 119.74 119.32 2wwa s LYS 138 Ca 0.33 1.73 -0.06 0.00 -1.01 0.00 0.00 55.97 56.96 2wwa s LYS 138 Cb -0.07 -1.95 0.03 0.00 -1.01 0.00 0.00 37.83 34.83 2wwa s LYS 138 CO 0.22 -1.10 0.20 -0.47 0.51 0.00 0.00 175.35 174.72 2wwa s TYR 139 N -1.70 -0.23 -0.01 3.18 6.04 -0.89 -4.56 117.35 119.18 2wwa s TYR 139 Ca 0.75 0.57 0.05 0.00 0.04 0.00 0.00 57.07 58.49 2wwa s TYR 139 Cb -0.28 0.05 -0.01 0.00 -1.04 0.00 0.00 41.96 40.69 2wwa s TYR 139 CO 0.32 -0.13 -0.17 -1.83 -1.54 0.00 0.00 175.55 172.19 2wwa s GLU 140 N 0.41 1.37 -0.28 4.97 -1.05 -1.26 -2.10 118.70 120.76 2wwa s GLU 140 Ca -0.02 -0.60 -0.03 0.00 -0.15 0.00 0.00 54.97 54.17 2wwa s GLU 140 Cb -0.04 -1.32 0.03 0.00 -0.44 0.00 0.00 34.13 32.36 2wwa s GLU 140 CO -0.02 0.36 -0.01 -1.12 0.95 0.00 0.00 175.26 175.42 2wwa s SER 141 N -0.39 4.67 -0.04 0.83 0.01 -1.25 -5.04 113.70 112.51 2wwa s SER 141 Ca 0.06 -1.01 -0.22 0.00 1.31 0.00 0.00 55.95 56.09 2wwa s SER 141 Cb -0.07 -1.72 -0.04 0.00 0.21 0.00 0.00 66.02 64.40 2wwa s SER 141 CO -0.01 -0.19 0.66 -0.44 0.41 0.00 0.00 173.24 173.67 2wwa s SER 142 N 1.32 6.99 0.44 2.44 0.01 -1.26 -3.40 113.70 120.23 2wwa s SER 142 Ca -0.02 1.18 0.06 0.00 1.31 0.00 0.00 55.95 58.49 2wwa s SER 142 Cb -0.18 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 2wwa s SER 142 CO -0.02 -0.02 0.15 -2.16 0.41 0.00 0.00 173.24 171.60 2wwa s PRO 143 N 0.36 2.17 0.13 12.44 0.04 -1.26 -2.20 135.00 146.69 2wwa s PRO 143 Ca 0.35 -1.97 -0.23 0.00 0.04 0.00 0.00 61.00 59.18 2wwa s PRO 143 Cb -0.18 -1.88 0.07 0.00 0.04 0.00 0.00 34.50 32.55 2wwa s PRO 143 CO 0.18 -0.18 0.60 -1.12 0.04 0.00 0.00 177.00 176.52 2wwa s SER 144 N -3.90 -0.56 -0.08 6.66 0.01 -0.63 -3.82 113.70 111.39 2wwa s SER 144 Ca 0.35 0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.69 2wwa s SER 144 Cb 0.04 0.58 0.01 0.00 0.21 0.00 0.00 66.02 66.87 2wwa s SER 144 CO 0.19 -0.92 -0.12 -2.28 0.41 0.00 0.00 173.24 170.52 2wwa s HIS 145 N -3.47 1.56 0.18 2.43 2.46 -1.22 -2.33 115.29 114.90 2wwa s HIS 145 Ca -0.00 -0.63 0.04 0.00 0.47 0.00 0.00 55.06 54.93 2wwa s HIS 145 Cb -0.01 -1.16 -0.05 0.00 -0.13 0.00 0.00 32.58 31.24 2wwa s HIS 145 CO -0.10 -0.34 -0.05 -1.50 -2.47 0.00 0.00 174.74 170.27 2wwa s ILE 146 N 0.85 1.04 -0.06 0.89 2.07 -1.26 -1.07 121.20 123.67 2wwa s ILE 146 Ca -0.11 -2.04 -0.04 0.00 -1.41 0.00 0.00 60.65 57.05 2wwa s ILE 146 Cb -0.15 -2.05 0.02 0.00 0.13 0.00 0.00 42.46 40.41 2wwa s ILE 146 CO 0.01 -0.57 0.15 -1.61 -1.91 0.00 0.00 174.94 171.01 2wwa s GLU 147 N -3.81 0.15 -0.05 3.50 2.02 -0.89 -1.79 118.70 117.84 2wwa s GLU 147 Ca 0.22 0.25 -0.04 0.00 0.02 0.00 0.00 54.97 55.42 2wwa s GLU 147 Cb 0.04 0.02 0.02 0.00 0.10 0.00 0.00 34.13 34.31 2wwa s GLU 147 CO 0.04 -0.06 0.12 -1.17 0.02 0.00 0.00 175.26 174.21 2wwa s LEU 148 N 0.36 1.39 -0.01 1.80 2.96 -0.57 -2.59 118.68 122.02 2wwa s LEU 148 Ca -0.02 0.24 -0.18 0.00 -0.22 0.00 0.00 54.13 53.95 2wwa s LEU 148 Cb -0.04 0.38 0.03 0.00 0.50 0.00 0.00 46.19 47.07 2wwa s LEU 148 CO -0.01 -0.06 0.39 0.68 -1.32 0.00 0.00 176.35 176.02 2wwa s VAL 149 N 0.29 0.05 0.14 1.68 -7.23 -1.11 -2.17 120.40 112.07 2wwa s VAL 149 Ca -0.02 -0.41 -0.00 0.00 -1.81 0.00 0.00 61.98 59.74 2wwa s VAL 149 Cb -0.03 -0.77 -0.04 0.00 0.56 0.00 0.00 36.38 36.10 2wwa s VAL 149 CO -0.01 -0.22 0.04 0.68 -0.31 0.00 0.00 175.10 175.28 2wwa s VAL 150 N -1.61 0.26 -0.05 1.32 -7.23 -1.10 -3.31 120.40 108.68 2wwa s VAL 150 Ca -0.11 -1.93 -0.09 0.00 -1.81 0.00 0.00 61.98 58.04 2wwa s VAL 150 Cb -0.03 -2.08 0.02 0.00 0.56 0.00 0.00 36.38 34.84 2wwa s VAL 150 CO 0.03 -0.46 0.21 -0.89 -0.31 0.00 0.00 175.10 173.69 2wwa s THR 151 N -3.94 0.04 0.26 5.32 2.01 -1.21 -3.73 115.64 114.38 2wwa s THR 151 Ca 0.24 -0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.64 2wwa s THR 151 Cb 0.07 -0.40 -0.11 0.00 0.01 0.00 0.00 72.50 72.07 2wwa s THR 151 CO 0.03 -0.17 1.53 -1.61 -0.69 0.00 0.00 174.62 173.71 2wwa s GLU 152 N -0.60 4.19 0.00 4.92 2.02 -0.93 -4.12 118.70 124.18 2wwa s GLU 152 Ca -0.07 2.44 0.01 0.00 0.02 0.00 0.00 54.97 57.37 2wwa s GLU 152 Cb -0.04 -3.08 0.01 0.00 0.10 0.00 0.00 34.13 31.12 2wwa s GLU 152 CO 0.01 -0.55 0.53 1.63 0.02 0.00 0.00 175.26 176.91