#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crr s SER 2 N 0.00 -0.59 0.06 1.61 1.04 -1.26 -5.05 113.70 109.51 2crr s SER 2 Ca 0.00 0.87 -0.02 0.00 0.48 0.00 0.00 55.95 57.28 2crr s SER 2 Cb 0.00 1.48 -0.04 0.00 0.10 0.00 0.00 66.02 67.56 2crr s SER 2 CO 0.00 -0.13 -0.01 -0.44 0.98 0.00 0.00 173.24 173.65 2crr s SER 3 N 1.93 0.45 -0.11 7.02 0.01 -1.26 -5.15 113.70 116.58 2crr s SER 3 Ca -0.06 -0.98 -0.04 0.00 1.31 0.00 0.00 55.95 56.19 2crr s SER 3 Cb -0.05 0.22 0.05 0.00 0.21 0.00 0.00 66.02 66.45 2crr s SER 3 CO -0.16 -0.62 0.11 -0.83 0.41 0.00 0.00 173.24 172.15 2crr s GLY 4 N -2.92 0.20 -0.67 3.44 0.00 -1.26 -5.10 107.32 101.02 2crr s GLY 4 Ca 0.08 0.11 -0.27 0.00 0.00 0.00 0.00 44.72 44.64 2crr s GLY 4 CO -0.09 1.65 1.49 -0.56 0.00 0.00 0.00 173.10 175.59 2crr s SER 5 N 2.20 5.87 -0.70 1.64 0.01 -1.26 -4.86 113.70 116.61 2crr s SER 5 Ca 0.04 -0.07 -0.02 0.00 1.31 0.00 0.00 55.95 57.21 2crr s SER 5 Cb -0.14 -2.55 0.43 0.00 0.21 0.00 0.00 66.02 63.98 2crr s SER 5 CO -0.07 -1.99 2.03 -0.24 0.41 0.00 0.00 173.24 173.39 2crr n SER 6 N 10.48 7.67 -4.74 2.44 2.88 -1.26 -4.97 113.62 126.13 2crr n SER 6 Ca 0.10 -3.80 -0.23 0.00 -1.33 0.00 0.00 58.87 53.61 2crr n SER 6 Cb 0.50 -0.99 -0.06 0.00 -0.75 0.00 0.00 64.21 62.91 2crr n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2crr s GLY 7 N -1.72 1.91 -0.19 0.46 0.00 -1.26 -5.08 107.32 101.44 2crr s GLY 7 Ca 0.63 -1.80 -0.16 0.00 0.00 0.00 0.00 44.72 43.39 2crr s GLY 7 CO -0.08 -1.74 -0.29 0.28 0.00 0.00 0.00 173.10 171.28 2crr n LYS 8 N -1.16 0.53 -2.16 2.90 4.01 -1.26 -4.70 118.16 116.32 2crr n LYS 8 Ca -0.03 0.30 -0.24 0.00 -0.51 0.00 0.00 58.31 57.82 2crr n LYS 8 Cb 0.61 -1.51 0.02 0.00 -0.51 0.00 0.00 35.03 33.64 2crr n LYS 8 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2crr n ALA 9 N -4.22 4.99 -0.04 7.82 0.00 -1.26 -4.79 120.51 123.01 2crr n ALA 9 Ca -0.21 -3.92 -0.14 0.00 0.00 0.00 0.00 53.44 49.17 2crr n ALA 9 Cb 0.55 -0.39 -0.11 0.00 0.00 0.00 0.00 19.45 19.50 2crr n ALA 9 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2crr h GLN 10 N 2.30 0.04 -0.95 0.00 4.20 -1.96 -3.30 115.11 115.45 2crr h GLN 10 Ca 0.34 -0.04 0.08 0.00 0.06 0.00 0.00 58.65 59.09 2crr h GLN 10 Cb 1.37 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 29.09 2crr h GLN 10 CO 0.78 0.79 0.59 0.87 -0.67 0.00 0.00 178.83 181.19 2crr h LYS 11 N -0.69 1.01 -0.52 1.46 1.79 -1.94 -2.87 116.57 114.81 2crr h LYS 11 Ca -0.01 -0.06 0.05 0.00 -2.18 0.00 0.00 60.65 58.46 2crr h LYS 11 Cb 0.81 -0.23 -0.08 0.00 -1.58 0.00 0.00 32.23 31.15 2crr h LYS 11 CO 0.01 0.67 -0.48 1.25 -1.08 0.00 0.00 179.45 179.82 2crr h LEU 12 N 1.04 -1.67 -9.85 2.94 5.85 -1.92 -3.41 115.31 108.29 2crr h LEU 12 Ca 0.43 0.23 -0.49 0.00 0.84 0.00 0.00 57.88 58.89 2crr h LEU 12 Cb 0.27 0.70 0.22 0.00 0.37 0.00 0.00 40.66 42.22 2crr h LEU 12 CO -0.20 -0.29 -0.59 0.59 -0.34 0.00 0.00 178.44 177.61 2crr n ASN 13 N -4.94 -1.86 -3.52 1.25 3.02 -1.08 -4.99 115.26 103.13 2crr n ASN 13 Ca -0.01 0.12 -0.27 0.00 -0.03 0.00 0.00 54.58 54.39 2crr n ASN 13 Cb 0.26 -1.16 -0.10 0.00 -0.61 0.00 0.00 39.78 38.17 2crr n ASN 13 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2crr n GLU 14 N -2.55 0.83 -3.32 3.52 4.07 -1.26 -5.03 120.64 116.90 2crr n GLU 14 Ca 0.05 -3.63 -0.43 0.00 -0.06 0.00 0.00 57.16 53.08 2crr n GLU 14 Cb 0.56 -1.83 -0.08 0.00 -0.06 0.00 0.00 31.44 30.03 2crr n GLU 14 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 2crr s GLN 15 N -0.64 3.07 0.06 5.31 2.00 -1.26 -4.98 119.66 123.22 2crr s GLN 15 Ca 0.31 -0.87 -0.23 0.00 -2.00 0.00 0.00 55.36 52.58 2crr s GLN 15 Cb 0.04 -4.00 -0.11 0.00 0.80 0.00 0.00 33.01 29.74 2crr s GLN 15 CO -0.17 -0.90 1.35 0.45 -0.50 0.00 0.00 175.29 175.52 2crr h HIS 16 N 8.75 -0.91 -0.52 1.67 3.86 -1.98 -1.82 115.15 124.20 2crr h HIS 16 Ca -0.27 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.00 2crr h HIS 16 Cb 1.11 0.36 -0.06 0.00 1.06 0.00 0.00 27.41 29.88 2crr h HIS 16 CO 0.63 -0.42 -0.31 1.04 0.86 0.00 0.00 177.93 179.73 2crr n GLN 17 N -4.34 -0.23 -0.07 2.45 1.13 -1.26 0.37 117.38 115.43 2crr n GLN 17 Ca -0.07 0.98 -0.07 0.00 -1.94 0.00 0.00 57.00 55.89 2crr n GLN 17 Cb 0.29 -1.44 -0.01 0.00 0.11 0.00 0.00 30.24 29.19 2crr n GLN 17 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2crr h LEU 18 N 0.00 -0.75 -0.06 1.08 5.85 -1.97 -2.17 115.31 117.30 2crr h LEU 18 Ca 0.08 0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.98 2crr h LEU 18 Cb 0.21 0.37 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 2crr h LEU 18 CO -0.49 -0.26 -0.52 0.40 -0.34 0.00 0.00 178.44 177.23 2crr h ILE 19 N -0.20 0.03 -0.96 4.05 2.04 0.80 0.33 117.51 123.60 2crr h ILE 19 Ca 0.16 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.30 2crr h ILE 19 Cb 0.45 0.03 -0.14 0.00 -0.74 0.00 0.00 36.82 36.41 2crr h ILE 19 CO -0.42 0.00 0.45 -0.07 0.00 0.00 0.00 178.15 178.11 2crr h LEU 20 N -0.62 0.35 -0.38 1.44 3.38 -0.47 0.49 115.31 119.50 2crr h LEU 20 Ca 0.03 0.19 -0.19 0.00 0.09 0.00 0.00 57.88 58.00 2crr h LEU 20 Cb 0.70 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2crr h LEU 20 CO -0.39 -0.11 -0.66 -1.28 0.09 0.00 0.00 178.44 176.09 2crr h SER 21 N 0.32 0.68 -0.89 -0.43 0.87 -0.51 -3.12 113.55 110.46 2crr h SER 21 Ca 0.66 -0.41 0.08 0.00 -1.23 0.00 0.00 61.79 60.88 2crr h SER 21 Cb 1.41 -0.20 -0.07 0.00 -0.44 0.00 0.00 62.40 63.10 2crr h SER 21 CO -0.61 1.16 0.55 0.11 -0.53 0.00 0.00 176.83 177.51 2crr h LYS 22 N 0.42 0.93 0.10 2.24 1.57 0.38 -1.69 116.57 120.52 2crr h LYS 22 Ca -0.02 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2crr h LYS 22 Cb 1.24 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2crr h LYS 22 CO 0.13 0.61 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.50 2crr h LEU 23 N 0.96 -0.11 -0.43 2.94 3.38 -1.30 -3.11 115.31 117.63 2crr h LEU 23 Ca 0.40 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 58.30 2crr h LEU 23 Cb 0.26 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 2crr h LEU 23 CO -0.20 0.09 -0.06 -0.07 0.09 0.00 0.00 178.44 178.29 2crr h LEU 24 N -0.32 -0.30 -0.98 1.67 3.38 -1.40 -1.12 115.31 116.24 2crr h LEU 24 Ca -0.01 0.12 0.34 0.00 0.09 0.00 0.00 57.88 58.41 2crr h LEU 24 Cb 0.26 0.23 -0.17 0.00 0.09 0.00 0.00 40.66 41.07 2crr h LEU 24 CO 0.02 -0.11 0.33 0.03 0.09 0.00 0.00 178.44 178.80 2crr h ARG 25 N 0.04 0.05 -6.72 1.13 3.08 -1.25 -3.20 114.38 107.51 2crr h ARG 25 Ca 0.21 -0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.68 2crr h ARG 25 Cb 0.32 -0.01 0.11 0.00 0.08 0.00 0.00 29.97 30.47 2crr h ARG 25 CO -0.41 0.04 0.45 0.39 -1.07 0.00 0.00 179.97 179.37 2crr n GLU 26 N -5.32 1.98 -0.15 0.04 -0.58 -0.42 -4.48 120.64 111.71 2crr n GLU 26 Ca 0.30 0.70 0.11 0.00 -0.42 0.00 0.00 57.16 57.85 2crr n GLU 26 Cb 1.01 -2.26 0.45 0.00 -0.57 0.00 0.00 31.44 30.07 2crr n GLU 26 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2crr h GLU 27 N 2.39 0.52 0.00 3.49 4.81 -1.86 0.25 114.58 124.17 2crr h GLU 27 Ca -0.45 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2crr h GLU 27 Cb 1.29 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2crr h GLU 27 CO 0.62 0.34 0.00 -0.44 -0.73 0.00 0.00 179.01 178.80 2crr h ASP 28 N 0.53 0.00 0.00 1.04 3.32 -1.89 -1.69 116.42 117.73 2crr h ASP 28 Ca 0.32 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 2crr h ASP 28 Cb 0.55 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 2crr h ASP 28 CO -0.11 0.00 -0.21 0.59 -1.72 0.00 0.00 179.24 177.79 2crr n ASN 29 N -2.72 1.62 0.19 6.45 3.02 0.73 -4.63 115.26 119.93 2crr n ASN 29 Ca -0.02 -2.82 0.08 0.00 -0.03 0.00 0.00 54.58 51.80 2crr n ASN 29 Cb 0.10 -0.37 0.17 0.00 -0.61 0.00 0.00 39.78 39.07 2crr n ASN 29 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2crr h LYS 30 N 0.12 0.00 -4.38 3.52 1.79 -0.21 -3.42 116.57 113.98 2crr h LYS 30 Ca -0.01 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.30 2crr h LYS 30 Cb 1.14 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.63 2crr h LYS 30 CO 0.00 0.21 -0.69 0.71 -1.08 0.00 0.00 179.45 178.61 2crr s TYR 31 N -3.18 0.64 0.78 -1.35 2.02 -1.26 -3.93 117.35 111.07 2crr s TYR 31 Ca 0.05 -0.96 -0.17 0.00 -0.37 0.00 0.00 57.07 55.62 2crr s TYR 31 Cb 0.07 -0.42 -0.10 0.00 -0.40 0.00 0.00 41.96 41.11 2crr s TYR 31 CO 0.69 -0.28 -0.12 0.00 -1.57 0.00 0.00 175.55 174.27 2crr n ALA 33 N -2.31 2.59 -0.26 0.00 0.00 -1.07 -2.97 120.51 116.48 2crr n ALA 33 Ca 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2crr n ALA 33 Cb 0.52 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2crr n ALA 33 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2crr n ASP 34 N -0.08 0.00 -0.09 0.00 8.00 -1.26 -4.83 116.55 118.29 2crr n ASP 34 Ca 0.19 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.84 2crr n ASP 34 Cb 0.29 0.00 0.78 0.00 -0.02 0.00 0.00 41.12 42.17 2crr n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2crr n GLU 36 N -0.88 -3.29 -1.08 0.00 -0.58 -1.16 -4.86 120.64 108.79 2crr n GLU 36 Ca 0.19 0.39 -0.30 0.00 -0.42 0.00 0.00 57.16 57.02 2crr n GLU 36 Cb 0.21 -4.93 0.23 0.00 -0.57 0.00 0.00 31.44 26.37 2crr n GLU 36 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2crr s ALA 37 N -3.50 0.62 -0.49 0.62 0.00 -1.26 -4.37 121.76 113.38 2crr s ALA 37 Ca 0.52 -0.87 -0.18 0.00 0.00 0.00 0.00 51.96 51.44 2crr s ALA 37 Cb -0.28 -2.92 0.06 0.00 0.00 0.00 0.00 23.12 19.98 2crr s ALA 37 CO 0.91 -3.51 0.56 0.21 0.00 0.00 0.00 175.76 173.93 2crr s LYS 38 N -5.34 3.09 0.00 0.00 2.20 -1.26 -2.59 119.74 115.84 2crr s LYS 38 Ca 0.70 -0.99 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 2crr s LYS 38 Cb -0.11 -4.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.11 2crr s LYS 38 CO 0.56 -1.16 0.00 0.41 -0.36 0.00 0.00 175.35 174.81 2crr n GLY 39 N 5.17 0.71 0.45 5.54 0.00 -1.25 -4.97 105.19 110.84 2crr n GLY 39 Ca -0.08 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.15 2crr n GLY 39 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crr n PRO 40 N 0.00 0.49 0.00 1.61 -0.04 -1.26 -4.53 135.00 131.27 2crr n PRO 40 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2crr n PRO 40 Cb 0.00 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 2crr n PRO 40 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2crr n ARG 41 N 0.18 0.00 -1.25 0.54 5.12 -1.26 -3.32 116.66 116.67 2crr n ARG 41 Ca 0.00 0.24 -0.37 0.00 -1.93 0.00 0.00 57.85 55.78 2crr n ARG 41 Cb 0.11 -0.42 0.04 0.00 -1.16 0.00 0.00 32.46 31.04 2crr n ARG 41 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 2crr n TRP 42 N -1.22 -2.06 -3.62 -1.55 7.02 -1.14 -4.62 117.44 110.25 2crr n TRP 42 Ca 0.00 0.34 -0.16 0.00 -1.02 0.00 0.00 57.50 56.67 2crr n TRP 42 Cb 0.00 -1.78 -0.07 0.00 -2.42 0.00 0.00 31.31 27.04 2crr n TRP 42 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2crr s ALA 43 N -1.93 -1.44 -0.92 6.99 0.00 -1.24 -0.02 121.76 123.20 2crr s ALA 43 Ca 0.60 1.16 -0.13 0.00 0.00 0.00 0.00 51.96 53.58 2crr s ALA 43 Cb -0.39 -0.23 0.22 0.00 0.00 0.00 0.00 23.12 22.73 2crr s ALA 43 CO 0.63 -0.32 0.91 0.45 0.00 0.00 0.00 175.76 177.44 2crr s SER 44 N -0.84 6.90 0.33 0.00 0.15 -0.15 -3.60 113.70 116.49 2crr s SER 44 Ca -0.09 -2.86 0.11 0.00 0.70 0.00 0.00 55.95 53.81 2crr s SER 44 Cb -0.02 -2.24 0.96 0.00 -1.71 0.00 0.00 66.02 63.01 2crr s SER 44 CO 0.06 -0.56 1.68 4.11 1.20 0.00 0.00 173.24 179.74 2crr h TRP 45 N 7.59 0.87 -0.98 3.44 5.08 -1.83 0.47 115.95 130.59 2crr h TRP 45 Ca 0.14 0.04 0.27 0.00 1.08 0.00 0.00 58.89 60.42 2crr h TRP 45 Cb 0.99 -0.22 -0.14 0.00 -3.00 0.00 0.00 29.16 26.79 2crr h TRP 45 CO 0.99 -0.10 0.52 -0.97 -1.28 0.00 0.00 178.44 177.59 2crr h ASN 46 N 0.39 0.50 0.00 0.11 -1.24 -1.91 -2.88 115.58 110.55 2crr h ASN 46 Ca 0.68 0.17 -0.40 0.00 0.71 0.00 0.00 56.30 57.45 2crr h ASN 46 Cb 1.44 0.11 -0.06 0.00 0.73 0.00 0.00 38.32 40.54 2crr h ASN 46 CO -0.57 -0.04 -2.24 -0.38 -1.29 0.00 0.00 177.43 172.91 2crr n ILE 47 N -5.01 1.54 0.00 2.57 5.41 0.99 -5.01 119.36 119.85 2crr n ILE 47 Ca 0.28 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.69 2crr n ILE 47 Cb 0.83 -1.87 0.00 0.00 -0.71 0.00 0.00 39.64 37.89 2crr n ILE 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2crr n GLY 48 N 1.42 0.95 3.06 7.39 0.00 0.12 -4.79 105.19 113.36 2crr n GLY 48 Ca -0.48 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.46 2crr n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2crr s VAL 49 N -1.75 0.16 -0.29 1.61 -7.23 -1.24 -0.21 120.40 111.44 2crr s VAL 49 Ca 0.00 -1.30 -0.12 0.00 -1.81 0.00 0.00 61.98 58.75 2crr s VAL 49 Cb 0.00 -0.92 -0.04 0.00 0.56 0.00 0.00 36.38 35.98 2crr s VAL 49 CO 0.00 -0.71 0.25 -0.36 -0.31 0.00 0.00 175.10 173.97 2crr s PHE 50 N -2.73 3.23 0.35 2.82 0.08 -1.26 -0.98 117.98 119.49 2crr s PHE 50 Ca -0.04 0.13 0.08 0.00 0.12 0.00 0.00 56.93 57.22 2crr s PHE 50 Cb -0.01 -2.46 -0.07 0.00 -0.57 0.00 0.00 43.02 39.92 2crr s PHE 50 CO -0.05 -0.22 -0.06 0.96 -0.10 0.00 0.00 175.22 175.75 2crr s ILE 51 N 1.85 2.05 0.56 0.64 -4.36 0.98 -2.59 121.20 120.32 2crr s ILE 51 Ca 0.09 -2.13 -0.09 0.00 -0.26 0.00 0.00 60.65 58.26 2crr s ILE 51 Cb -0.16 -2.72 0.13 0.00 1.25 0.00 0.00 42.46 40.96 2crr s ILE 51 CO 0.11 -0.15 0.76 0.00 0.24 0.00 0.00 174.94 175.90 2crr h ILE 53 N -1.38 1.33 0.20 0.00 6.09 -1.94 -2.56 117.51 119.24 2crr h ILE 53 Ca -0.25 -1.89 -0.01 0.00 -1.37 0.00 0.00 64.86 61.34 2crr h ILE 53 Cb 0.69 2.11 -0.01 0.00 0.47 0.00 0.00 36.82 40.09 2crr h ILE 53 CO 0.18 0.58 -0.19 -0.09 -3.07 0.00 0.00 178.15 175.56 2crr h ARG 54 N 0.30 -0.37 -0.54 2.19 1.12 -1.99 -2.84 114.38 112.25 2crr h ARG 54 Ca -0.04 0.03 0.10 0.00 -1.11 0.00 0.00 59.98 58.95 2crr h ARG 54 Cb 1.27 0.08 -0.08 0.00 -0.01 0.00 0.00 29.97 31.23 2crr h ARG 54 CO 0.13 -0.25 0.08 0.00 -3.11 0.00 0.00 179.97 176.82 2crr n ALA 56 N -2.60 0.56 -0.28 0.00 0.00 -0.96 0.15 120.51 117.38 2crr n ALA 56 Ca 0.07 1.03 0.07 0.00 0.00 0.00 0.00 53.44 54.61 2crr n ALA 56 Cb 0.28 -0.79 0.30 0.00 0.00 0.00 0.00 19.45 19.25 2crr n ALA 56 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2crr h GLY 57 N 0.00 1.27 1.06 0.00 0.00 -1.04 -1.76 103.07 102.60 2crr h GLY 57 Ca 0.62 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 47.47 2crr h GLY 57 CO -0.89 0.21 -0.12 -2.22 0.00 0.00 0.00 176.54 173.51 2crr h ILE 58 N 0.88 1.27 -0.48 2.60 2.04 0.14 -3.10 117.51 120.86 2crr h ILE 58 Ca 0.41 -1.26 0.06 0.00 1.00 0.00 0.00 64.86 65.06 2crr h ILE 58 Cb 0.40 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 2crr h ILE 58 CO -0.17 0.44 0.19 0.45 0.00 0.00 0.00 178.15 179.05 2crr h HIS 59 N 0.81 0.33 -0.64 1.37 3.86 -0.84 -2.09 115.15 117.94 2crr h HIS 59 Ca 0.12 0.02 0.11 0.00 -1.16 0.00 0.00 60.37 59.46 2crr h HIS 59 Cb 0.68 -0.08 -0.08 0.00 1.06 0.00 0.00 27.41 29.00 2crr h HIS 59 CO 0.05 0.13 0.23 0.00 0.86 0.00 0.00 177.93 179.20 2crr h ARG 60 N 0.37 0.39 -0.34 2.45 3.08 -1.41 -1.97 114.38 116.96 2crr h ARG 60 Ca 0.22 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.32 2crr h ARG 60 Cb 0.21 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.10 2crr h ARG 60 CO -0.21 0.26 -0.14 -0.91 -1.07 0.00 0.00 179.97 177.90 2crr h ASN 61 N 0.41 -0.49 -0.85 7.04 2.35 -1.35 -2.24 115.58 120.45 2crr h ASN 61 Ca 0.33 0.12 0.13 0.00 -0.55 0.00 0.00 56.30 56.34 2crr h ASN 61 Cb 0.44 0.28 -0.14 0.00 0.05 0.00 0.00 38.32 38.95 2crr h ASN 61 CO -0.34 -0.18 -0.32 0.18 -1.65 0.00 0.00 177.43 175.13 2crr n LEU 62 N -5.33 -0.53 0.00 1.61 4.77 -0.74 -4.86 117.00 111.93 2crr n LEU 62 Ca 0.01 1.47 0.00 0.00 -0.03 0.00 0.00 56.01 57.46 2crr n LEU 62 Cb 0.24 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2crr n LEU 62 CO 0.15 -1.33 0.00 0.61 -1.33 0.00 0.00 177.39 175.49 2crr n GLY 63 N -1.41 4.24 0.54 -0.72 0.00 -0.84 -4.72 105.19 102.27 2crr n GLY 63 Ca 0.09 -0.97 0.43 0.00 0.00 0.00 0.00 46.02 45.56 2crr n GLY 63 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2crr h VAL 64 N 0.00 0.05 -0.55 1.61 -1.51 -1.76 1.54 116.25 115.63 2crr h VAL 64 Ca 0.00 -0.01 -0.11 0.00 -1.23 0.00 0.00 66.70 65.36 2crr h VAL 64 Cb 0.00 0.02 -0.02 0.00 -2.13 0.00 0.00 31.29 29.16 2crr h VAL 64 CO 0.00 0.00 -0.07 1.12 -1.23 0.00 0.00 177.57 177.40 2crr h HIS 65 N 0.03 1.13 0.01 5.19 -0.00 -1.97 -3.32 115.15 116.22 2crr h HIS 65 Ca 0.88 -0.22 -0.00 0.00 -0.00 0.00 0.00 60.37 61.02 2crr h HIS 65 Cb 3.01 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 30.14 2crr h HIS 65 CO -0.00 1.04 -0.01 0.82 -0.00 0.00 0.00 177.93 179.78 2crr h ILE 66 N 0.90 0.75 -3.77 6.12 2.04 0.18 -3.48 117.51 120.24 2crr h ILE 66 Ca 0.15 -1.54 -0.13 0.00 1.00 0.00 0.00 64.86 64.34 2crr h ILE 66 Cb 0.63 1.41 -0.18 0.00 -0.74 0.00 0.00 36.82 37.94 2crr h ILE 66 CO 0.04 0.25 -0.52 -0.55 0.00 0.00 0.00 178.15 177.37 2crr s SER 67 N -5.81 0.16 -0.33 1.72 0.15 0.42 -4.90 113.70 105.12 2crr s SER 67 Ca -0.08 -0.50 -0.01 0.00 0.70 0.00 0.00 55.95 56.06 2crr s SER 67 Cb -0.01 0.22 0.11 0.00 -1.71 0.00 0.00 66.02 64.63 2crr s SER 67 CO 0.30 -0.49 0.13 -0.13 1.20 0.00 0.00 173.24 174.24 2crr s ARG 68 N -2.45 0.70 0.26 5.44 0.52 -1.26 -3.32 118.95 118.83 2crr s ARG 68 Ca -0.06 -1.13 -0.30 0.00 -0.52 0.00 0.00 55.73 53.72 2crr s ARG 68 Cb -0.02 -1.88 -0.09 0.00 0.52 0.00 0.00 34.95 33.48 2crr s ARG 68 CO -0.04 -1.03 1.10 0.08 0.02 0.00 0.00 175.30 175.43 2crr s VAL 69 N 1.50 3.56 -0.28 3.52 1.01 -1.26 -4.15 120.40 124.30 2crr s VAL 69 Ca 0.11 1.53 -0.20 0.00 0.00 0.00 0.00 61.98 63.42 2crr s VAL 69 Cb -0.18 -3.97 0.11 0.00 0.00 0.00 0.00 36.38 32.33 2crr s VAL 69 CO -0.22 0.35 0.86 -1.59 0.00 0.00 0.00 175.10 174.50 2crr s LYS 70 N -1.24 0.59 1.04 2.72 -2.85 -1.24 -5.03 119.74 113.73 2crr s LYS 70 Ca 0.45 0.87 -0.16 0.00 -1.00 0.00 0.00 55.97 56.13 2crr s LYS 70 Cb -0.31 0.20 0.06 0.00 -2.06 0.00 0.00 37.83 35.72 2crr s LYS 70 CO 0.40 -0.10 0.11 0.45 0.10 0.00 0.00 175.35 176.31 2crr n SER 71 N 3.31 -2.37 -0.01 0.03 2.88 -1.26 -3.72 113.62 112.48 2crr n SER 71 Ca -0.17 0.08 -0.21 0.00 -1.33 0.00 0.00 58.87 57.24 2crr n SER 71 Cb 0.57 -1.04 -0.14 0.00 -0.75 0.00 0.00 64.21 62.85 2crr n SER 71 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2crr n VAL 72 N -4.01 1.76 -0.09 2.46 0.31 -1.26 -4.12 118.33 113.37 2crr n VAL 72 Ca 0.03 -0.60 -0.17 0.00 -0.01 0.00 0.00 64.34 63.59 2crr n VAL 72 Cb 0.59 -1.76 -0.06 0.00 -0.91 0.00 0.00 33.84 31.70 2crr n VAL 72 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2crr n ASN 73 N -3.57 1.58 -0.30 4.52 6.94 -1.26 -4.53 115.26 118.64 2crr n ASN 73 Ca -0.32 0.27 0.27 0.00 -0.02 0.00 0.00 54.58 54.77 2crr n ASN 73 Cb 1.01 -0.63 0.60 0.00 -2.36 0.00 0.00 39.78 38.40 2crr n ASN 73 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2crr h LEU 74 N -0.76 0.27-10.12 -4.53 3.38 -1.99 -3.40 115.31 98.16 2crr h LEU 74 Ca -0.34 0.05 -0.51 0.00 0.09 0.00 0.00 57.88 57.17 2crr h LEU 74 Cb 1.21 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2crr h LEU 74 CO -0.21 0.05 -0.23 -0.62 0.09 0.00 0.00 178.44 177.53 2crr s ASP 75 N -5.30 6.39 -0.09 -0.43 -1.08 -1.26 -5.01 116.67 109.89 2crr s ASP 75 Ca -0.07 0.52 -0.20 0.00 -0.52 0.00 0.00 52.55 52.28 2crr s ASP 75 Cb 0.24 -2.06 -0.04 0.00 -1.46 0.00 0.00 42.92 39.60 2crr s ASP 75 CO 0.80 -0.16 0.55 -1.58 0.52 0.00 0.00 175.17 175.30 2crr s GLN 76 N -3.65 4.36 0.39 4.34 0.74 -1.26 -4.78 119.66 119.80 2crr s GLN 76 Ca 0.41 0.60 0.08 0.00 0.05 0.00 0.00 55.36 56.49 2crr s GLN 76 Cb -0.11 -3.43 -0.06 0.00 1.10 0.00 0.00 33.01 30.51 2crr s GLN 76 CO 0.31 0.15 0.05 -1.58 -0.55 0.00 0.00 175.29 173.67 2crr s TRP 77 N 0.61 2.54 -0.01 1.67 0.52 -1.26 -5.13 118.94 117.88 2crr s TRP 77 Ca 0.30 -0.57 0.02 0.00 0.02 0.00 0.00 56.10 55.87 2crr s TRP 77 Cb -0.16 -1.72 -0.00 0.00 -1.15 0.00 0.00 33.47 30.44 2crr s TRP 77 CO 0.13 0.39 -0.08 0.95 0.02 0.00 0.00 176.95 178.37 2crr s THR 78 N -2.62 0.65 0.27 2.01 -4.23 -1.26 -5.03 115.64 105.44 2crr s THR 78 Ca 0.36 -0.32 0.07 0.00 -1.18 0.00 0.00 61.69 60.63 2crr s THR 78 Cb 0.05 -0.57 0.32 0.00 1.34 0.00 0.00 72.50 73.64 2crr s THR 78 CO 0.20 0.20 1.29 0.00 -0.54 0.00 0.00 174.62 175.76 2crr n ALA 79 N 3.09 0.58 0.08 3.99 0.00 -1.26 0.63 120.51 127.61 2crr n ALA 79 Ca -0.16 0.86 -0.12 0.00 0.00 0.00 0.00 53.44 54.02 2crr n ALA 79 Cb 0.56 -0.72 -0.05 0.00 0.00 0.00 0.00 19.45 19.24 2crr n ALA 79 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2crr h GLU 80 N 0.00 -0.47 -0.58 0.00 4.81 -2.02 -1.92 114.58 114.40 2crr h GLU 80 Ca 0.57 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.80 2crr h GLU 80 Cb 1.33 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.79 2crr h GLU 80 CO -0.72 -0.31 0.20 1.96 -0.73 0.00 0.00 179.01 179.40 2crr h GLN 81 N -0.49 0.85 -0.16 1.92 1.08 -0.22 -3.07 115.11 115.02 2crr h GLN 81 Ca 0.05 -0.15 0.05 0.00 -1.45 0.00 0.00 58.65 57.15 2crr h GLN 81 Cb 0.55 -0.14 -0.07 0.00 -0.05 0.00 0.00 27.48 27.77 2crr h GLN 81 CO -0.23 0.72 -0.40 0.82 -0.95 0.00 0.00 178.83 178.79 2crr h ILE 82 N 0.83 0.17 -0.97 2.54 1.08 -0.32 -1.62 117.51 119.22 2crr h ILE 82 Ca 0.19 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.88 2crr h ILE 82 Cb 0.22 0.17 -0.18 0.00 -3.07 0.00 0.00 36.82 33.95 2crr h ILE 82 CO -0.01 0.00 -0.17 -0.61 -0.69 0.00 0.00 178.15 176.66 2crr h GLN 83 N -0.46 0.00 -0.09 2.37 5.75 -1.33 0.68 115.11 122.04 2crr h GLN 83 Ca 0.09 -0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.62 2crr h GLN 83 Cb 0.61 -0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.10 2crr h GLN 83 CO -0.41 0.00 -0.49 0.00 -2.65 0.00 0.00 178.83 175.29 2crr n MET 85 N -5.45 -0.30 -0.02 0.00 2.81 0.23 0.32 117.12 114.71 2crr n MET 85 Ca -0.06 1.08 -0.11 0.00 -1.81 0.00 0.00 57.70 56.80 2crr n MET 85 Cb 0.38 -1.59 -0.06 0.00 -0.71 0.00 0.00 33.22 31.24 2crr n MET 85 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 2crr h GLN 86 N 0.00 0.18 -0.80 0.03 7.50 -1.41 0.36 115.11 120.97 2crr h GLN 86 Ca 0.13 -0.03 0.13 0.00 0.50 0.00 0.00 58.65 59.38 2crr h GLN 86 Cb 0.31 -0.03 -0.14 0.00 0.05 0.00 0.00 27.48 27.67 2crr h GLN 86 CO -0.68 0.28 -0.34 -0.44 -1.50 0.00 0.00 178.83 176.14 2crr h ASP 87 N 0.05 -1.24 0.00 1.46 3.32 0.18 -3.29 116.42 116.90 2crr h ASP 87 Ca 0.04 0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.36 2crr h ASP 87 Cb 0.16 0.65 0.00 0.00 0.22 0.00 0.00 39.33 40.36 2crr h ASP 87 CO -0.00 -0.29 0.00 0.80 -1.72 0.00 0.00 179.24 178.02 2crr n MET 88 N -5.47 0.00 -1.27 3.56 1.56 -0.09 -4.96 117.12 110.45 2crr n MET 88 Ca 0.08 0.20 0.16 0.00 -0.27 0.00 0.00 57.70 57.87 2crr n MET 88 Cb 0.38 -0.64 -0.07 0.00 2.15 0.00 0.00 33.22 35.05 2crr n MET 88 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2crr n GLY 89 N 2.10 -2.80 0.22 -5.12 0.00 0.13 -3.54 105.19 96.18 2crr n GLY 89 Ca 0.00 -1.13 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 2crr n GLY 89 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2crr h ASN 90 N -1.23 0.64 -0.34 1.61 4.21 -1.84 -2.33 115.58 116.28 2crr h ASN 90 Ca -0.11 -0.12 0.03 0.00 1.21 0.00 0.00 56.30 57.31 2crr h ASN 90 Cb 1.20 -0.16 -0.04 0.00 -1.12 0.00 0.00 38.32 38.20 2crr h ASN 90 CO 0.05 0.57 -0.20 0.41 -1.29 0.00 0.00 177.43 176.97 2crr n THR 91 N -4.63 -0.23 0.05 2.81 -1.04 -1.26 -0.63 114.28 109.36 2crr n THR 91 Ca 0.02 1.63 -0.13 0.00 -2.04 0.00 0.00 64.05 63.53 2crr n THR 91 Cb 0.11 -2.09 -0.08 0.00 -1.82 0.00 0.00 70.33 66.45 2crr n THR 91 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2crr h LYS 92 N 0.00 -0.08 -0.94 -2.82 1.57 -1.60 -2.83 116.57 109.86 2crr h LYS 92 Ca 0.05 0.01 0.31 0.00 -1.87 0.00 0.00 60.65 59.15 2crr h LYS 92 Cb 0.14 0.02 -0.17 0.00 0.08 0.00 0.00 32.23 32.30 2crr h LYS 92 CO -0.32 0.09 0.19 0.00 -0.57 0.00 0.00 179.45 178.83 2crr n ALA 93 N -2.21 0.65 -0.08 3.86 0.00 -0.46 0.11 120.51 122.38 2crr n ALA 93 Ca -0.08 0.99 -0.13 0.00 0.00 0.00 0.00 53.44 54.22 2crr n ALA 93 Cb 0.13 -0.81 -0.05 0.00 0.00 0.00 0.00 19.45 18.71 2crr n ALA 93 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2crr h ARG 94 N 0.00 0.58 0.00 0.00 2.43 -0.69 0.40 114.38 117.10 2crr h ARG 94 Ca 0.65 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 2crr h ARG 94 Cb 1.50 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.06 2crr h ARG 94 CO -0.83 0.89 0.00 1.28 -1.51 0.00 0.00 179.97 179.80 2crr n LEU 95 N -4.38 0.00 -0.00 3.80 4.77 0.29 -1.34 117.00 120.14 2crr n LEU 95 Ca -0.05 0.24 -0.01 0.00 -0.03 0.00 0.00 56.01 56.17 2crr n LEU 95 Cb 0.42 -0.24 -0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2crr n LEU 95 CO 0.43 -0.09 -0.05 -0.11 -1.33 0.00 0.00 177.39 176.24 2crr n LEU 96 N -1.24 0.23 0.01 2.23 -0.00 0.14 -4.52 117.00 113.84 2crr n LEU 96 Ca 0.10 0.04 -0.18 0.00 -0.00 0.00 0.00 56.01 55.97 2crr n LEU 96 Cb 0.14 -0.29 -0.12 0.00 -0.00 0.00 0.00 43.42 43.15 2crr n LEU 96 CO 0.14 -0.50 0.23 1.88 -0.00 0.00 0.00 177.39 179.14 2crr h TYR 97 N -0.07 0.55 -0.47 1.96 0.05 -0.34 -1.74 116.97 116.90 2crr h TYR 97 Ca 0.00 -0.32 -0.29 0.00 0.05 0.00 0.00 58.73 58.17 2crr h TYR 97 Cb 0.07 -0.05 -0.14 0.00 1.01 0.00 0.00 36.73 37.62 2crr h TYR 97 CO -0.03 1.15 0.38 -1.91 -1.05 0.00 0.00 178.16 176.70 2crr n GLU 98 N -4.24 1.72 -0.03 4.88 2.13 -0.45 -3.85 120.64 120.80 2crr n GLU 98 Ca -0.11 -1.51 -0.03 0.00 0.66 0.00 0.00 57.16 56.17 2crr n GLU 98 Cb 0.68 -1.59 -0.04 0.00 0.27 0.00 0.00 31.44 30.76 2crr n GLU 98 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2crr n ALA 99 N 0.12 1.87 0.03 4.31 0.00 -0.60 -4.59 120.51 121.65 2crr n ALA 99 Ca 0.29 -0.32 0.04 0.00 0.00 0.00 0.00 53.44 53.46 2crr n ALA 99 Cb 0.76 0.23 0.22 0.00 0.00 0.00 0.00 19.45 20.65 2crr n ALA 99 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2crr n ASN 100 N -2.40 3.48 -4.73 0.00 3.02 -1.23 -4.95 115.26 108.45 2crr n ASN 100 Ca -0.10 -2.46 -0.34 0.00 -0.03 0.00 0.00 54.58 51.65 2crr n ASN 100 Cb 0.65 -0.57 0.09 0.00 -0.61 0.00 0.00 39.78 39.34 2crr n ASN 100 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2crr s LEU 101 N -1.47 3.29 0.63 3.41 1.43 -1.26 -4.66 118.68 120.05 2crr s LEU 101 Ca 0.30 2.26 -0.16 0.00 -1.03 0.00 0.00 54.13 55.50 2crr s LEU 101 Cb 0.22 -4.58 -0.01 0.00 0.03 0.00 0.00 46.19 41.85 2crr s LEU 101 CO 0.10 -2.20 1.12 -2.16 0.23 0.00 0.00 176.35 173.43 2crr s PRO 102 N -4.02 2.94 0.58 1.29 0.04 -1.26 -4.92 135.00 129.65 2crr s PRO 102 Ca 0.72 1.45 0.28 0.00 0.04 0.00 0.00 61.00 63.49 2crr s PRO 102 Cb -0.27 -1.96 1.72 0.00 0.04 0.00 0.00 34.50 34.03 2crr s PRO 102 CO 0.46 -1.15 2.20 1.49 0.04 0.00 0.00 177.00 180.04 2crr h GLU 103 N 0.32 0.00 -1.10 4.56 4.57 -2.01 -2.08 114.58 118.84 2crr h GLU 103 Ca -0.48 0.00 -0.58 0.00 -1.18 0.00 0.00 59.36 57.12 2crr h GLU 103 Cb 1.25 0.00 -0.41 0.00 -0.16 0.00 0.00 28.75 29.43 2crr h GLU 103 CO 0.55 0.00 -0.61 0.27 -1.18 0.00 0.00 179.01 178.04 2crr n ASN 104 N -3.91 5.13 -4.76 1.04 0.23 -1.26 -5.06 115.26 106.65 2crr n ASN 104 Ca -0.02 -3.75 -0.39 0.00 -0.53 0.00 0.00 54.58 49.90 2crr n ASN 104 Cb 0.15 -0.45 0.02 0.00 -2.08 0.00 0.00 39.78 37.41 2crr n ASN 104 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 2crr s PHE 105 N -3.61 2.55 -0.26 -2.53 5.36 -0.78 -5.02 117.98 113.68 2crr s PHE 105 Ca 0.51 1.37 -0.02 0.00 -0.96 0.00 0.00 56.93 57.82 2crr s PHE 105 Cb 0.41 -3.75 0.09 0.00 -0.34 0.00 0.00 43.02 39.43 2crr s PHE 105 CO -0.07 -2.53 0.08 -0.98 -1.46 0.00 0.00 175.22 170.27 2crr s ARG 106 N -2.57 0.56 -0.19 10.12 1.70 -1.26 -5.05 118.95 122.25 2crr s ARG 106 Ca 0.64 -0.71 -0.35 0.00 -0.47 0.00 0.00 55.73 54.84 2crr s ARG 106 Cb -0.39 -1.83 -0.12 0.00 -0.57 0.00 0.00 34.95 32.03 2crr s ARG 106 CO 0.49 -0.87 1.93 -2.13 -1.08 0.00 0.00 175.30 173.64 2crr n ARG 107 N 5.02 1.72 -2.25 3.89 0.63 -1.26 -4.91 116.66 119.50 2crr n ARG 107 Ca -0.05 0.60 -0.41 0.00 -0.92 0.00 0.00 57.85 57.07 2crr n ARG 107 Cb 0.44 -2.52 -0.03 0.00 0.45 0.00 0.00 32.46 30.80 2crr n ARG 107 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2crr s PRO 108 N 4.53 4.46 -0.18 -0.14 0.04 -1.26 -4.96 135.00 137.49 2crr s PRO 108 Ca 0.98 2.06 0.04 0.00 0.04 0.00 0.00 61.00 64.12 2crr s PRO 108 Cb -0.79 -3.12 -0.14 0.00 0.04 0.00 0.00 34.50 30.49 2crr s PRO 108 CO 0.54 -0.06 -0.12 1.04 0.04 0.00 0.00 177.00 178.44 2crr n GLN 109 N 1.09 0.71 -2.96 4.56 1.13 -1.26 -4.74 117.38 115.91 2crr n GLN 109 Ca 0.00 0.08 -0.40 0.00 -1.94 0.00 0.00 57.00 54.74 2crr n GLN 109 Cb 0.43 -1.38 -0.04 0.00 0.11 0.00 0.00 30.24 29.36 2crr n GLN 109 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2crr s THR 110 N -2.37 4.99 0.29 5.09 -4.23 -1.26 -4.92 115.64 113.23 2crr s THR 110 Ca -0.22 1.58 -0.01 0.00 -1.18 0.00 0.00 61.69 61.86 2crr s THR 110 Cb 0.06 -4.11 0.39 0.00 1.34 0.00 0.00 72.50 70.19 2crr s THR 110 CO 0.47 0.19 1.58 0.44 -0.54 0.00 0.00 174.62 176.77 2crr h ASP 111 N 6.88 -0.51 -0.74 3.99 5.19 -1.97 0.24 116.42 129.50 2crr h ASP 111 Ca -0.39 0.27 0.25 0.00 -0.62 0.00 0.00 57.03 56.54 2crr h ASP 111 Cb 1.19 0.48 -0.14 0.00 0.18 0.00 0.00 39.33 41.04 2crr h ASP 111 CO 0.77 -0.31 0.18 1.67 -3.12 0.00 0.00 179.24 178.42 2crr n GLN 112 N -5.48 -0.05 -0.10 3.56 7.27 -1.26 -0.15 117.38 121.17 2crr n GLN 112 Ca 0.20 1.07 -0.19 0.00 0.07 0.00 0.00 57.00 58.16 2crr n GLN 112 Cb 0.66 -1.80 -0.09 0.00 2.41 0.00 0.00 30.24 31.42 2crr n GLN 112 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2crr n ALA 113 N -2.94 0.73 -0.30 1.69 0.00 0.77 -4.30 120.51 116.16 2crr n ALA 113 Ca 0.22 -0.49 -0.04 0.00 0.00 0.00 0.00 53.44 53.13 2crr n ALA 113 Cb 0.73 -0.43 0.01 0.00 0.00 0.00 0.00 19.45 19.77 2crr n ALA 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2crr h VAL 114 N -1.00 0.07 -0.96 0.00 2.07 -0.28 0.45 116.25 116.60 2crr h VAL 114 Ca -0.29 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.54 2crr h VAL 114 Cb 1.15 0.07 -0.16 0.00 -1.52 0.00 0.00 31.29 30.83 2crr h VAL 114 CO -0.17 0.00 0.33 -0.08 0.02 0.00 0.00 177.57 177.67 2crr h GLU 115 N -0.09 0.14 0.16 1.57 4.81 -0.75 -1.44 114.58 118.98 2crr h GLU 115 Ca 0.28 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 2crr h GLU 115 Cb 0.57 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2crr h GLU 115 CO -0.84 0.09 -0.08 0.74 -0.73 0.00 0.00 179.01 178.19 2crr h PHE 116 N 0.14 -0.20 -0.71 0.92 0.04 -0.41 -2.93 116.94 113.78 2crr h PHE 116 Ca 0.67 -0.00 0.13 0.00 2.80 0.00 0.00 57.97 61.56 2crr h PHE 116 Cb 1.52 0.07 -0.12 0.00 2.20 0.00 0.00 35.95 39.62 2crr h PHE 116 CO -0.20 -0.01 -0.22 0.34 -0.60 0.00 0.00 178.31 177.61 2crr n PHE 117 N -4.91 0.15 -0.21 -0.55 7.35 0.11 0.22 117.46 119.62 2crr n PHE 117 Ca -0.04 0.87 -0.10 0.00 -0.76 0.00 0.00 57.45 57.42 2crr n PHE 117 Cb 0.14 -0.84 0.02 0.00 0.35 0.00 0.00 39.48 39.15 2crr n PHE 117 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2crr h ILE 118 N 0.00 1.27 0.79 -2.13 2.04 -1.42 -0.41 117.51 117.65 2crr h ILE 118 Ca 0.30 -1.20 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 2crr h ILE 118 Cb 0.47 0.85 0.01 0.00 -0.74 0.00 0.00 36.82 37.41 2crr h ILE 118 CO -0.72 0.43 -0.38 0.03 0.00 0.00 0.00 178.15 177.52 2crr h ARG 119 N 0.96 -1.02 0.00 2.37 3.08 0.30 0.17 114.38 120.25 2crr h ARG 119 Ca 0.16 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2crr h ARG 119 Cb 0.61 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.89 2crr h ARG 119 CO 0.04 -0.68 0.00 -0.25 -1.07 0.00 0.00 179.97 178.01 2crr n ASP 120 N -5.42 0.19 -0.02 7.04 9.92 0.15 0.24 116.55 128.65 2crr n ASP 120 Ca -0.13 0.57 -0.22 0.00 -0.53 0.00 0.00 54.79 54.48 2crr n ASP 120 Cb 0.42 -0.60 -0.13 0.00 -0.64 0.00 0.00 41.12 40.16 2crr n ASP 120 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 2crr h LYS 121 N 0.00 0.21 0.00 -1.24 3.64 -0.76 -1.18 116.57 117.24 2crr h LYS 121 Ca 0.00 -0.35 -0.30 0.00 -1.27 0.00 0.00 60.65 58.72 2crr h LYS 121 Cb 0.14 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 2crr h LYS 121 CO 0.00 1.17 -2.03 0.66 -2.27 0.00 0.00 179.45 176.98 2crr n TYR 122 N -3.78 0.00 0.41 1.91 4.02 0.59 -3.50 117.16 116.80 2crr n TYR 122 Ca -0.31 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.40 2crr n TYR 122 Cb 0.94 -0.66 -0.09 0.00 -0.02 0.00 0.00 39.34 39.51 2crr n TYR 122 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2crr h GLU 123 N -0.57 -0.99 0.00 -0.72 4.81 0.29 -3.06 114.58 114.34 2crr h GLU 123 Ca -0.46 0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 58.77 2crr h GLU 123 Cb 1.44 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 31.03 2crr h GLU 123 CO -0.25 -0.66 -0.35 0.87 -0.73 0.00 0.00 179.01 177.88 2crr h LYS 124 N -1.03 0.00 -2.83 1.92 1.79 -1.19 -3.48 116.57 111.75 2crr h LYS 124 Ca -0.10 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.02 2crr h LYS 124 Cb 0.80 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.45 2crr h LYS 124 CO 0.15 0.32 -0.47 1.63 -1.08 0.00 0.00 179.45 180.00 2crr n LYS 125 N -3.17 -2.01 0.09 3.15 4.76 -1.16 -4.93 118.16 114.89 2crr n LYS 125 Ca 0.02 0.85 -0.06 0.00 -2.87 0.00 0.00 58.31 56.25 2crr n LYS 125 Cb 0.66 -5.36 -0.03 0.00 -1.84 0.00 0.00 35.03 28.46 2crr n LYS 125 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2crr h LYS 126 N -0.25 -0.30 -1.47 1.97 1.57 -1.35 -2.44 116.57 114.28 2crr h LYS 126 Ca -0.43 0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.25 2crr h LYS 126 Cb 1.31 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 33.63 2crr h LYS 126 CO 0.50 -0.20 0.16 0.66 -0.57 0.00 0.00 179.45 179.99 2crr n TYR 127 N -3.28 0.63 -3.19 -1.35 4.02 -1.26 -4.86 117.16 107.87 2crr n TYR 127 Ca -0.04 -1.14 -0.40 0.00 -0.01 0.00 0.00 57.90 56.31 2crr n TYR 127 Cb 0.14 -0.57 -0.07 0.00 -0.02 0.00 0.00 39.34 38.83 2crr n TYR 127 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 2crr s TYR 128 N -0.71 3.27 -0.37 -0.72 5.04 -0.92 -3.51 117.35 119.41 2crr s TYR 128 Ca 0.12 0.69 -0.12 0.00 -2.44 0.00 0.00 57.07 55.31 2crr s TYR 128 Cb 0.10 -2.77 0.01 0.00 0.35 0.00 0.00 41.96 39.66 2crr s TYR 128 CO 0.01 -0.30 0.24 0.34 -1.34 0.00 0.00 175.55 174.49 2crr s ASP 129 N 1.53 5.89 -0.01 4.32 -1.08 -0.66 -4.93 116.67 121.73 2crr s ASP 129 Ca 0.23 -0.81 0.12 0.00 -0.52 0.00 0.00 52.55 51.57 2crr s ASP 129 Cb -0.16 -2.09 -0.22 0.00 -1.46 0.00 0.00 42.92 38.99 2crr s ASP 129 CO 0.09 -0.36 0.77 0.07 0.52 0.00 0.00 175.17 176.27 2crr h LYS 130 N 8.50 0.00 -0.88 4.34 2.10 -1.96 -3.36 116.57 125.31 2crr h LYS 130 Ca -0.28 0.00 0.19 0.00 -2.00 0.00 0.00 60.65 58.56 2crr h LYS 130 Cb 1.12 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 32.34 2crr h LYS 130 CO 0.68 0.57 0.42 -0.91 -2.00 0.00 0.00 179.45 178.21 2crr h ASN 131 N 0.00 0.42 -0.00 7.07 2.35 -1.93 -2.67 115.58 120.82 2crr h ASN 131 Ca -0.23 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2crr h ASN 131 Cb 1.96 0.08 -0.00 0.00 0.05 0.00 0.00 38.32 40.41 2crr h ASN 131 CO 0.09 0.09 -0.01 0.00 -1.65 0.00 0.00 177.43 175.95 2crr h ALA 132 N 1.65 -0.46 -0.94 -0.83 0.00 -1.91 -2.78 119.26 113.99 2crr h ALA 132 Ca 0.52 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.55 2crr h ALA 132 Cb 0.91 0.55 -0.14 0.00 0.00 0.00 0.00 17.79 19.11 2crr h ALA 132 CO -0.46 -0.47 -0.48 0.82 0.00 0.00 0.00 179.25 178.66 2crr h ILE 133 N -0.01 0.01 -1.31 0.00 2.04 -1.71 -3.40 117.51 113.14 2crr h ILE 133 Ca 0.00 0.00 -0.75 0.00 1.00 0.00 0.00 64.86 65.11 2crr h ILE 133 Cb 0.01 0.01 0.05 0.00 -0.74 0.00 0.00 36.82 36.15 2crr h ILE 133 CO -0.01 0.00 0.29 0.00 0.00 0.00 0.00 178.15 178.43 2crr n ALA 134 N -3.33 -2.30 -2.67 1.87 0.00 -1.05 -4.93 120.51 108.10 2crr n ALA 134 Ca 0.05 0.55 -0.37 0.00 0.00 0.00 0.00 53.44 53.68 2crr n ALA 134 Cb 0.33 -1.92 -0.06 0.00 0.00 0.00 0.00 19.45 17.81 2crr n ALA 134 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2crr s ILE 135 N 0.48 5.24 -0.36 0.00 1.09 -1.26 -4.97 121.20 121.42 2crr s ILE 135 Ca 0.89 0.51 -0.06 0.00 -1.10 0.00 0.00 60.65 60.89 2crr s ILE 135 Cb -1.14 -3.58 -0.18 0.00 -1.06 0.00 0.00 42.46 36.50 2crr s ILE 135 CO 0.54 0.55 2.90 -0.24 -0.10 0.00 0.00 174.94 178.60 2crr n SER 136 N 1.73 5.01 -0.72 3.58 2.88 -1.26 -4.76 113.62 120.08 2crr n SER 136 Ca -0.15 -2.34 0.00 0.00 -1.33 0.00 0.00 58.87 55.05 2crr n SER 136 Cb 0.53 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 2crr n SER 136 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2crr n GLY 137 N 2.89 1.16 0.23 0.46 0.00 -1.26 -5.01 105.19 103.66 2crr n GLY 137 Ca 0.43 -0.82 0.11 0.00 0.00 0.00 0.00 46.02 45.74 2crr n GLY 137 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crr h PRO 138 N 0.00 0.00 -4.75 1.61 0.13 -2.06 -3.46 132.00 123.48 2crr h PRO 138 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 2crr h PRO 138 Cb 0.00 0.00 0.10 0.00 0.13 0.00 0.00 31.00 31.23 2crr h PRO 138 CO 0.00 0.20 -0.54 0.43 -0.23 0.00 0.00 178.00 177.86 2crr n SER 139 N -3.45 -1.44 -3.92 1.44 7.64 -1.26 -4.97 113.62 107.66 2crr n SER 139 Ca -0.00 0.80 -0.17 0.00 1.01 0.00 0.00 58.87 60.51 2crr n SER 139 Cb 0.38 -0.73 -0.15 0.00 -1.01 0.00 0.00 64.21 62.70 2crr n SER 139 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2crr s SER 140 N -0.79 0.65 0.00 6.43 1.04 -1.26 -4.81 113.70 114.97 2crr s SER 140 Ca 0.49 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.83 2crr s SER 140 Cb -0.65 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.27 2crr s SER 140 CO 0.46 0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.30