#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrr n LYS 3 N 0.00 0.06 -1.64 0.54 4.81 -1.26 -4.79 118.16 115.88 2wrr n LYS 3 Ca 0.00 -0.00 -0.45 0.00 -0.87 0.00 0.00 58.31 56.99 2wrr n LYS 3 Cb 0.00 -1.60 -0.02 0.00 0.02 0.00 0.00 35.03 33.43 2wrr n LYS 3 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 2wrr n MET 4 N 8.49 1.70 -3.67 1.64 2.81 -1.26 -4.96 117.12 121.88 2wrr n MET 4 Ca 0.64 0.60 -0.31 0.00 -1.81 0.00 0.00 57.70 56.83 2wrr n MET 4 Cb 0.06 -2.13 -0.04 0.00 -0.71 0.00 0.00 33.22 30.39 2wrr n MET 4 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2wrr s LYS 5 N -1.02 3.60 0.97 0.03 1.02 -1.26 -4.99 119.74 118.09 2wrr s LYS 5 Ca 0.64 -0.12 -0.11 0.00 0.02 0.00 0.00 55.97 56.40 2wrr s LYS 5 Cb -0.69 -2.84 0.15 0.00 -0.52 0.00 0.00 37.83 33.93 2wrr s LYS 5 CO 0.56 0.45 0.96 0.25 -0.92 0.00 0.00 175.35 176.65 2wrr n THR 6 N -0.04 0.00 -3.45 2.17 -2.24 -1.26 -4.95 114.28 104.51 2wrr n THR 6 Ca -0.03 -0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.22 2wrr n THR 6 Cb 0.52 -0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 67.79 2wrr n THR 6 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2wrr s HIS 7 N -2.55 3.82 -0.42 4.78 2.46 -0.93 -4.89 115.29 117.56 2wrr s HIS 7 Ca 0.65 -2.43 0.00 0.00 0.47 0.00 0.00 55.06 53.75 2wrr s HIS 7 Cb -0.23 -3.63 0.00 0.00 -0.13 0.00 0.00 32.58 28.60 2wrr s HIS 7 CO 0.61 -0.92 0.18 1.63 -2.47 0.00 0.00 174.74 173.77 2wrr n LYS 8 N 3.37 0.23 0.00 2.88 4.76 -1.26 -2.66 118.16 125.47 2wrr n LYS 8 Ca 0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 2wrr n LYS 8 Cb 0.42 -1.27 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 2wrr n LYS 8 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wrr n GLY 9 N 0.68 1.23 0.07 0.72 0.00 -1.26 -4.36 105.19 102.26 2wrr n GLY 9 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2wrr n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrr n ALA 10 N -3.00 1.48 0.28 4.61 0.00 -1.25 -0.65 120.51 121.98 2wrr n ALA 10 Ca 0.00 0.04 0.15 0.00 0.00 0.00 0.00 53.44 53.63 2wrr n ALA 10 Cb 0.00 -1.27 0.72 0.00 0.00 0.00 0.00 19.45 18.90 2wrr n ALA 10 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wrr h LYS 11 N 0.00 0.00 0.00 0.00 3.64 -1.73 1.70 116.57 120.18 2wrr h LYS 11 Ca 0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 2wrr h LYS 11 Cb 0.22 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2wrr h LYS 11 CO 0.00 0.00 -1.77 1.63 -2.27 0.00 0.00 179.45 177.04 2wrr n LYS 12 N -3.01 0.65 -0.01 1.90 5.02 0.18 -4.58 118.16 118.30 2wrr n LYS 12 Ca 0.01 -0.08 0.04 0.00 -2.02 0.00 0.00 58.31 56.26 2wrr n LYS 12 Cb 0.51 -1.61 -0.08 0.00 -0.02 0.00 0.00 35.03 33.83 2wrr n LYS 12 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2wrr n ARG 13 N -2.45 0.60 -4.37 1.97 1.85 0.48 -5.02 116.66 109.72 2wrr n ARG 13 Ca -0.06 -0.08 -0.34 0.00 -1.00 0.00 0.00 57.85 56.37 2wrr n ARG 13 Cb 0.64 -1.23 -0.11 0.00 -1.05 0.00 0.00 32.46 30.71 2wrr n ARG 13 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2wrr s VAL 14 N -2.62 4.05 -0.09 8.89 0.11 0.39 -4.45 120.40 126.69 2wrr s VAL 14 Ca -0.04 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 58.70 2wrr s VAL 14 Cb 0.06 -2.76 -0.03 0.00 -1.53 0.00 0.00 36.38 32.12 2wrr s VAL 14 CO 0.40 0.52 -0.07 -0.75 -3.33 0.00 0.00 175.10 171.88 2wrr s LYS 15 N 0.03 2.93 -0.15 1.54 2.47 0.15 -4.74 119.74 121.97 2wrr s LYS 15 Ca 0.01 -0.55 -0.02 0.00 -1.56 0.00 0.00 55.97 53.85 2wrr s LYS 15 Cb -0.13 -2.64 -0.02 0.00 -1.46 0.00 0.00 37.83 33.57 2wrr s LYS 15 CO 0.02 0.57 -0.07 -1.50 0.16 0.00 0.00 175.35 174.53 2wrr s ILE 16 N -0.55 3.53 0.39 5.43 2.07 -1.26 0.81 121.20 131.62 2wrr s ILE 16 Ca 0.08 -0.48 0.06 0.00 -1.41 0.00 0.00 60.65 58.90 2wrr s ILE 16 Cb -0.12 -2.53 0.00 0.00 0.13 0.00 0.00 42.46 39.94 2wrr s ILE 16 CO 0.02 0.50 0.55 0.42 -1.91 0.00 0.00 174.94 174.52 2wrr s THR 17 N 0.43 3.65 0.22 4.00 -4.23 -0.70 -4.90 115.64 114.10 2wrr s THR 17 Ca -0.06 -0.91 -0.11 0.00 -1.18 0.00 0.00 61.69 59.43 2wrr s THR 17 Cb -0.15 -3.27 0.21 0.00 1.34 0.00 0.00 72.50 70.63 2wrr s THR 17 CO 0.04 -0.12 1.66 0.00 -0.54 0.00 0.00 174.62 175.66 2wrr h ALA 18 N 0.70 0.62 0.00 3.99 0.00 -2.00 1.78 119.26 124.35 2wrr h ALA 18 Ca -0.44 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2wrr h ALA 18 Cb 1.27 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2wrr h ALA 18 CO 0.51 -0.40 0.00 0.43 0.00 0.00 0.00 179.25 179.79 2wrr n SER 19 N -5.29 0.04 -1.60 0.00 7.64 -1.26 -4.77 113.62 108.39 2wrr n SER 19 Ca 0.09 -1.34 -0.16 0.00 1.01 0.00 0.00 58.87 58.48 2wrr n SER 19 Cb 0.36 -0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.51 2wrr n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wrr n GLY 20 N 0.17 0.33 3.63 0.23 0.00 0.61 -4.95 105.19 105.21 2wrr n GLY 20 Ca 0.00 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 2wrr n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrr s LYS 21 N -4.31 4.11 -0.11 1.61 1.02 -1.23 -4.73 119.74 116.10 2wrr s LYS 21 Ca 0.00 0.87 -0.30 0.00 0.02 0.00 0.00 55.97 56.57 2wrr s LYS 21 Cb 0.00 -3.68 -0.02 0.00 -0.52 0.00 0.00 37.83 33.61 2wrr s LYS 21 CO 0.00 -0.62 1.09 0.08 -0.92 0.00 0.00 175.35 174.99 2wrr s VAL 22 N 2.99 4.56 -0.10 3.17 1.01 -1.26 -1.71 120.40 129.06 2wrr s VAL 22 Ca 0.36 1.86 -0.13 0.00 0.00 0.00 0.00 61.98 64.06 2wrr s VAL 22 Cb -0.15 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 32.07 2wrr s VAL 22 CO 0.10 -0.03 0.35 -0.69 0.00 0.00 0.00 175.10 174.83 2wrr s VAL 23 N 2.33 0.02 0.21 2.92 1.01 0.24 -3.34 120.40 123.79 2wrr s VAL 23 Ca 0.51 -0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.35 2wrr s VAL 23 Cb -0.20 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.64 2wrr s VAL 23 CO 0.18 -0.08 0.28 0.00 0.00 0.00 0.00 175.10 175.48 2wrr n ALA 24 N 2.39 -0.13 -1.00 5.51 0.00 -1.22 0.31 120.51 126.38 2wrr n ALA 24 Ca -0.16 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.28 2wrr n ALA 24 Cb 0.57 0.81 0.00 0.00 0.00 0.00 0.00 19.45 20.83 2wrr n ALA 24 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2wrr n MET 25 N -0.35 -0.19 -4.33 0.00 2.81 -1.26 0.74 117.12 114.54 2wrr n MET 25 Ca 0.01 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.65 2wrr n MET 25 Cb 0.36 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.74 2wrr n MET 25 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2wrr s LYS 26 N -1.60 1.24 0.02 0.03 -0.14 -1.26 -4.46 119.74 113.58 2wrr s LYS 26 Ca 0.00 -1.27 -0.25 0.00 -1.36 0.00 0.00 55.97 53.09 2wrr s LYS 26 Cb 0.00 -1.53 -0.05 0.00 -1.68 0.00 0.00 37.83 34.57 2wrr s LYS 26 CO 0.00 0.35 0.77 0.95 -0.76 0.00 0.00 175.35 176.66 2wrr s THR 27 N -1.33 4.80 0.00 2.17 -4.23 -1.26 -4.51 115.64 111.28 2wrr s THR 27 Ca 0.11 1.62 0.00 0.00 -1.18 0.00 0.00 61.69 62.24 2wrr s THR 27 Cb -0.09 -4.11 0.00 0.00 1.34 0.00 0.00 72.50 69.63 2wrr s THR 27 CO 0.05 0.33 0.00 0.61 -0.54 0.00 0.00 174.62 175.08 2wrr n GLY 28 N 2.55 2.47 0.03 3.99 0.00 -1.26 -4.94 105.19 108.03 2wrr n GLY 28 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2wrr n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wrr n LYS 29 N 0.00 0.10 0.03 1.61 2.85 -1.26 -2.52 118.16 118.97 2wrr n LYS 29 Ca 0.00 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.38 2wrr n LYS 29 Cb 0.00 -1.00 0.30 0.00 -0.65 0.00 0.00 35.03 33.68 2wrr n LYS 29 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2wrr n ARG 30 N -0.44 0.11 0.00 -1.58 5.12 -1.26 -4.84 116.66 113.77 2wrr n ARG 30 Ca 0.00 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 2wrr n ARG 30 Cb 0.00 -1.58 0.00 0.00 -1.16 0.00 0.00 32.46 29.72 2wrr n ARG 30 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 2wrr n HIS 31 N -1.74 0.00 -0.32 -1.55 1.44 -1.05 -5.00 115.22 107.00 2wrr n HIS 31 Ca 0.05 0.00 0.18 0.00 -2.01 0.00 0.00 57.72 55.94 2wrr n HIS 31 Cb 0.37 0.00 0.35 0.00 0.12 0.00 0.00 29.99 30.84 2wrr n HIS 31 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2wrr h LEU 32 N 0.00 -0.18 -9.50 2.39 -0.00 -1.82 -3.41 115.31 102.80 2wrr h LEU 32 Ca 0.00 0.25 -0.49 0.00 -0.00 0.00 0.00 57.88 57.64 2wrr h LEU 32 Cb 0.00 0.38 0.24 0.00 -0.00 0.00 0.00 40.66 41.27 2wrr h LEU 32 CO 0.00 -0.31 -1.35 -3.20 -0.00 0.00 0.00 178.44 173.58 2wrr n ASN 33 N -5.36 -2.87 0.00 -0.43 5.15 -1.26 -4.79 115.26 105.69 2wrr n ASN 33 Ca 0.26 0.05 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 2wrr n ASN 33 Cb 0.84 -0.92 0.00 0.00 -0.53 0.00 0.00 39.78 39.18 2wrr n ASN 33 CO 0.00 0.00 0.00 -2.67 1.40 0.00 0.00 177.26 175.99 2wrr n TRP 34 N -3.81 0.00 0.00 1.20 2.14 -1.26 -5.03 117.44 110.68 2wrr n TRP 34 Ca 0.01 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.58 2wrr n TRP 34 Cb 0.62 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.12 2wrr n TRP 34 CO 0.00 0.00 0.00 0.94 2.07 0.00 0.00 177.69 180.70 2wrr n GLN 35 N 0.00 0.00 -3.60 -2.67 0.00 -1.26 -5.19 117.38 104.65 2wrr n GLN 35 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.00 56.86 2wrr n GLN 35 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.17 2wrr n GLN 35 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2wrr s LYS 36 N -0.77 0.85 1.01 3.69 1.02 -1.26 -5.14 119.74 119.14 2wrr s LYS 36 Ca 0.00 0.76 -0.13 0.00 0.02 0.00 0.00 55.97 56.62 2wrr s LYS 36 Cb 0.00 0.41 0.14 0.00 -0.52 0.00 0.00 37.83 37.86 2wrr s LYS 36 CO 0.00 -0.15 0.73 -1.13 -0.92 0.00 0.00 175.35 173.88 2wrr n SER 37 N 2.16 -1.21 0.13 2.83 3.41 -1.26 -4.79 113.62 114.89 2wrr n SER 37 Ca -0.15 0.19 -0.06 0.00 -0.26 0.00 0.00 58.87 58.59 2wrr n SER 37 Cb 0.56 -1.28 -0.03 0.00 -0.26 0.00 0.00 64.21 63.20 2wrr n SER 37 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2wrr h GLY 38 N -2.00 -0.60 -0.76 5.00 0.00 -2.02 -3.08 103.07 99.62 2wrr h GLY 38 Ca -0.49 0.25 0.16 0.00 0.00 0.00 0.00 47.33 47.25 2wrr h GLY 38 CO 0.40 -0.21 -0.17 1.17 0.00 0.00 0.00 176.54 177.73 2wrr n LYS 39 N -3.14 -0.07 0.00 4.80 4.81 -1.26 -1.16 118.16 122.15 2wrr n LYS 39 Ca -0.04 1.18 0.00 0.00 -0.87 0.00 0.00 58.31 58.58 2wrr n LYS 39 Cb 0.15 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.42 2wrr n LYS 39 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2wrr n GLU 40 N -5.22 0.00 -0.15 1.64 1.02 -1.18 -2.57 120.64 114.18 2wrr n GLU 40 Ca 0.13 0.08 -0.09 0.00 -0.02 0.00 0.00 57.16 57.26 2wrr n GLU 40 Cb 0.40 -1.06 -0.04 0.00 -0.02 0.00 0.00 31.44 30.73 2wrr n GLU 40 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 2wrr h ILE 41 N 0.00 0.12 -0.31 -3.67 2.10 -1.42 -3.15 117.51 111.18 2wrr h ILE 41 Ca 0.00 0.00 0.03 0.00 1.08 0.00 0.00 64.86 65.97 2wrr h ILE 41 Cb 0.00 0.12 -0.04 0.00 -1.09 0.00 0.00 36.82 35.81 2wrr h ILE 41 CO 0.00 0.00 -0.23 -0.09 -1.08 0.00 0.00 178.15 176.75 2wrr h ARG 42 N -0.28 -0.06 -3.75 2.19 2.43 -1.25 -3.29 114.38 110.36 2wrr h ARG 42 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2wrr h ARG 42 Cb 0.57 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2wrr h ARG 42 CO -0.61 -0.04 0.79 1.04 -1.51 0.00 0.00 179.97 179.64 2wrr n GLN 43 N -3.84 0.00 -3.69 0.20 6.02 -1.06 -4.66 117.38 110.34 2wrr n GLN 43 Ca -0.00 -0.34 -0.27 0.00 -0.01 0.00 0.00 57.00 56.38 2wrr n GLN 43 Cb 0.11 -1.77 -0.11 0.00 1.02 0.00 0.00 30.24 29.50 2wrr n GLN 43 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2wrr n LYS 44 N 4.27 1.83 -4.41 -1.09 4.01 -1.24 -5.02 118.16 116.50 2wrr n LYS 44 Ca 0.00 -4.37 -0.25 0.00 -0.51 0.00 0.00 58.31 53.19 2wrr n LYS 44 Cb 0.00 -2.18 -0.13 0.00 -0.51 0.00 0.00 35.03 32.21 2wrr n LYS 44 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2wrr s GLY 45 N -1.60 1.23 0.26 0.72 0.00 -1.26 -4.76 107.32 101.91 2wrr s GLY 45 Ca 0.30 -1.20 -0.09 0.00 0.00 0.00 0.00 44.72 43.73 2wrr s GLY 45 CO -0.13 -1.18 -0.08 0.54 0.00 0.00 0.00 173.10 172.25 2wrr n ARG 46 N 1.32 0.00 -4.19 2.90 1.74 -1.25 -4.66 116.66 112.53 2wrr n ARG 46 Ca -0.19 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.77 2wrr n ARG 46 Cb 0.53 -0.48 -0.10 0.00 -1.02 0.00 0.00 32.46 31.39 2wrr n ARG 46 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2wrr s LYS 47 N -0.52 0.89 0.86 5.56 0.00 0.23 -4.87 119.74 121.88 2wrr s LYS 47 Ca 0.27 -1.29 -0.11 0.00 0.00 0.00 0.00 55.97 54.83 2wrr s LYS 47 Cb -0.23 -0.42 0.11 0.00 0.00 0.00 0.00 37.83 37.29 2wrr s LYS 47 CO 0.32 0.04 1.09 -0.06 0.00 0.00 0.00 175.35 176.74 2wrr s PHE 48 N -3.10 2.43 0.36 1.78 2.99 -1.26 -3.37 117.98 117.80 2wrr s PHE 48 Ca 0.10 1.32 -0.03 0.00 0.00 0.00 0.00 56.93 58.32 2wrr s PHE 48 Cb 0.02 -3.13 0.01 0.00 0.00 0.00 0.00 43.02 39.92 2wrr s PHE 48 CO -0.02 -2.20 0.52 0.08 -0.00 0.00 0.00 175.22 173.60 2wrr s VAL 49 N -2.95 0.00 -0.25 -0.44 1.01 -1.21 -4.96 120.40 111.60 2wrr s VAL 49 Ca 0.63 -1.54 -0.37 0.00 0.00 0.00 0.00 61.98 60.70 2wrr s VAL 49 Cb -0.17 -2.70 0.15 0.00 0.00 0.00 0.00 36.38 33.66 2wrr s VAL 49 CO 0.56 0.00 1.31 -0.22 0.00 0.00 0.00 175.10 176.76 2wrr s LEU 50 N -3.24 -0.06 0.00 3.92 2.96 -1.26 -4.86 118.68 116.14 2wrr s LEU 50 Ca 0.29 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.21 2wrr s LEU 50 Cb -0.01 1.17 0.00 0.00 0.50 0.00 0.00 46.19 47.85 2wrr s LEU 50 CO 0.21 -0.10 0.00 0.00 -1.32 0.00 0.00 176.35 175.13 2wrr n ALA 51 N -0.00 0.00 -0.02 5.97 0.00 -1.26 -3.83 120.51 121.37 2wrr n ALA 51 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 2wrr n ALA 51 Cb 0.57 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.94 2wrr n ALA 51 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wrr h LYS 52 N 0.00 0.11 0.00 0.00 1.63 -2.02 -3.12 116.57 113.17 2wrr h LYS 52 Ca 0.00 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2wrr h LYS 52 Cb 0.00 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2wrr h LYS 52 CO 0.00 0.49 0.00 -1.00 -3.45 0.00 0.00 179.45 175.49 2wrr h PRO 53 N -0.28 0.00 -0.11 1.90 0.13 -1.92 0.05 132.00 131.77 2wrr h PRO 53 Ca 0.01 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.17 2wrr h PRO 53 Cb 0.45 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.58 2wrr h PRO 53 CO 0.01 0.00 0.14 1.49 -0.23 0.00 0.00 178.00 179.41 2wrr h GLU 54 N 0.00 0.00 0.06 0.86 4.81 -1.83 -1.06 114.58 117.41 2wrr h GLU 54 Ca 0.00 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 2wrr h GLU 54 Cb 0.32 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2wrr h GLU 54 CO 0.00 0.00 -1.50 0.00 -0.73 0.00 0.00 179.01 176.78 2wrr h ALA 55 N 1.82 0.30 -0.63 2.92 0.00 -1.12 -3.35 119.26 119.20 2wrr h ALA 55 Ca 0.05 -1.25 0.06 0.00 0.00 0.00 0.00 54.91 53.77 2wrr h ALA 55 Cb 0.34 0.69 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 2wrr h ALA 55 CO -0.00 0.91 -0.37 0.39 0.00 0.00 0.00 179.25 180.17 2wrr n GLU 56 N -4.06 -0.28 -0.34 0.00 4.71 -0.44 0.13 120.64 120.36 2wrr n GLU 56 Ca -0.31 1.17 0.18 0.00 -0.01 0.00 0.00 57.16 58.20 2wrr n GLU 56 Cb 0.83 -1.73 0.41 0.00 -1.01 0.00 0.00 31.44 29.93 2wrr n GLU 56 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2wrr h ARG 57 N 0.00 0.55 0.00 3.49 3.08 -1.66 0.41 114.38 120.25 2wrr h ARG 57 Ca 0.10 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2wrr h ARG 57 Cb 0.26 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2wrr h ARG 57 CO -0.59 0.36 0.00 -0.89 -1.07 0.00 0.00 179.97 177.78 2wrr n ILE 58 N -4.80 0.00 -1.41 2.04 2.08 0.35 0.45 119.36 118.06 2wrr n ILE 58 Ca 0.26 0.00 0.01 0.00 0.56 0.00 0.00 62.75 63.58 2wrr n ILE 58 Cb 0.75 -0.63 0.01 0.00 -0.75 0.00 0.00 39.64 39.02 2wrr n ILE 58 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2wrr n LYS 59 N -0.69 0.33 -2.52 0.38 5.02 0.14 -4.75 118.16 116.07 2wrr n LYS 59 Ca 0.01 -1.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.31 2wrr n LYS 59 Cb 0.01 -0.63 0.05 0.00 -0.02 0.00 0.00 35.03 34.44 2wrr n LYS 59 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wrr n LEU 60 N -0.17 1.06 0.00 -0.35 4.77 0.17 -2.19 117.00 120.30 2wrr n LEU 60 Ca 0.01 -2.82 0.00 0.00 -0.03 0.00 0.00 56.01 53.17 2wrr n LEU 60 Cb 0.59 0.34 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 2wrr n LEU 60 CO 0.00 1.02 0.23 0.00 -1.33 0.00 0.00 177.39 177.31 2wrr n LEU 61 N -0.48 0.00 -0.15 2.23 -0.00 -1.07 -2.74 117.00 114.78 2wrr n LEU 61 Ca 0.03 0.45 0.03 0.00 -0.00 0.00 0.00 56.01 56.52 2wrr n LEU 61 Cb 0.87 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 44.35 2wrr n LEU 61 CO 0.02 0.00 0.29 0.18 -0.00 0.00 0.00 177.39 177.87 2wrr n LEU 62 N -0.47 -0.15 0.29 1.47 4.77 -1.26 0.41 117.00 122.06 2wrr n LEU 62 Ca 0.00 0.74 0.17 0.00 -0.03 0.00 0.00 56.01 56.89 2wrr n LEU 62 Cb 0.00 -0.22 0.83 0.00 -2.33 0.00 0.00 43.42 41.69 2wrr n LEU 62 CO 0.00 -0.71 1.03 1.55 -1.33 0.00 0.00 177.39 177.93 2wrr h PRO 63 N 0.00 0.00 -3.17 3.23 0.13 -1.97 -3.48 132.00 126.75 2wrr h PRO 63 Ca 0.21 0.00 0.36 0.00 -0.87 0.00 0.00 66.00 65.70 2wrr h PRO 63 Cb 0.32 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.33 2wrr h PRO 63 CO -0.44 0.05 -0.74 0.98 -0.23 0.00 0.00 178.00 177.62 2wrr n TYR 64 N -3.27 -3.54 0.00 1.56 9.36 1.38 -5.17 117.16 117.47 2wrr n TYR 64 Ca -0.01 1.83 0.00 0.00 3.32 0.00 0.00 57.90 63.04 2wrr n TYR 64 Cb 0.23 -3.22 0.00 0.00 -0.63 0.00 0.00 39.34 35.72 2wrr n TYR 64 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47