#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 6.22 0.14 1.61 1.04 -1.26 -4.93 113.70 116.52 2crr s SER 2 Ca 0.00 -0.56 -0.24 0.00 0.48 0.00 0.00 55.95 55.63 2crr s SER 2 Cb 0.00 -2.50 0.08 0.00 0.10 0.00 0.00 66.02 63.70 2crr s SER 2 CO 0.00 -1.59 1.06 -0.94 0.98 0.00 0.00 173.24 172.74 2crr s SER 3 N 3.53 -0.05 0.00 7.02 1.04 -1.26 -5.17 113.70 118.81 2crr s SER 3 Ca 0.31 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2crr s SER 3 Cb -0.11 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2crr s SER 3 CO 0.15 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.12 2crr n GLY 4 N -0.62 3.10 3.64 7.32 0.00 -1.26 -5.16 105.19 112.20 2crr n GLY 4 Ca -0.04 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 2crr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2crr s SER 5 N 0.00 -0.75 -0.68 1.61 0.15 -1.26 -5.05 113.70 107.72 2crr s SER 5 Ca 0.00 1.35 -0.01 0.00 0.70 0.00 0.00 55.95 57.99 2crr s SER 5 Cb 0.00 1.35 0.42 0.00 -1.71 0.00 0.00 66.02 66.08 2crr s SER 5 CO 0.00 -0.23 1.94 -0.24 1.20 0.00 0.00 173.24 175.91 2crr n SER 6 N 3.19 7.34 -0.88 5.45 2.88 -1.26 -4.86 113.62 125.47 2crr n SER 6 Ca -0.16 -3.80 0.00 0.00 -1.33 0.00 0.00 58.87 53.58 2crr n SER 6 Cb 0.56 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 2crr n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2crr n GLY 7 N -0.78 -0.43 3.12 0.46 0.00 -1.26 -5.04 105.19 101.25 2crr n GLY 7 Ca 0.58 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 2crr n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2crr n LYS 8 N -0.24 -0.78 0.00 1.61 4.76 -1.26 -4.97 118.16 117.28 2crr n LYS 8 Ca 0.00 -0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.22 2crr n LYS 8 Cb 0.00 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 2crr n LYS 8 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2crr n ALA 9 N -3.94 1.61 -0.19 7.82 0.00 -1.26 -4.65 120.51 119.91 2crr n ALA 9 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 2crr n ALA 9 Cb 0.68 0.16 -0.04 0.00 0.00 0.00 0.00 19.45 20.24 2crr n ALA 9 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2crr n GLN 10 N -1.42 -0.20 0.10 0.00 0.00 -1.26 0.12 117.38 114.73 2crr n GLN 10 Ca 0.00 0.94 -0.02 0.00 -0.00 0.00 0.00 57.00 57.92 2crr n GLN 10 Cb 0.29 -1.39 0.23 0.00 0.00 0.00 0.00 30.24 29.36 2crr n GLN 10 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.06 178.63 2crr h LYS 11 N 0.00 0.21 -3.78 3.69 -0.00 -2.01 -3.35 116.57 111.34 2crr h LYS 11 Ca 0.07 -0.10 -0.79 0.00 -0.00 0.00 0.00 60.65 59.83 2crr h LYS 11 Cb 0.18 -0.00 -0.26 0.00 -0.00 0.00 0.00 32.23 32.15 2crr h LYS 11 CO -0.42 0.61 0.57 -0.51 -0.00 0.00 0.00 179.45 179.70 2crr s LEU 12 N -8.20 6.17 -0.24 7.07 1.02 0.33 -4.96 118.68 119.87 2crr s LEU 12 Ca -0.04 -3.44 -0.19 0.00 0.02 0.00 0.00 54.13 50.48 2crr s LEU 12 Cb 0.13 -2.24 0.07 0.00 0.02 0.00 0.00 46.19 44.17 2crr s LEU 12 CO 0.77 -0.38 0.62 0.20 0.02 0.00 0.00 176.35 177.58 2crr s ASN 13 N 1.62 -0.71 -0.60 2.29 0.01 -1.09 -4.62 114.94 111.84 2crr s ASN 13 Ca 0.32 1.28 0.01 0.00 -0.71 0.00 0.00 52.86 53.76 2crr s ASN 13 Cb -0.09 1.25 0.42 0.00 0.41 0.00 0.00 41.25 43.24 2crr s ASN 13 CO -0.07 -0.22 1.73 -0.62 -1.51 0.00 0.00 177.10 176.41 2crr n GLU 14 N 3.28 3.00 -3.60 -0.60 1.02 -1.26 -4.88 120.64 117.59 2crr n GLU 14 Ca -0.16 -3.70 -0.39 0.00 -0.02 0.00 0.00 57.16 52.89 2crr n GLU 14 Cb 0.56 -2.28 -0.07 0.00 -0.02 0.00 0.00 31.44 29.64 2crr n GLU 14 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2crr s GLN 15 N -3.81 3.02 0.18 3.49 -1.52 -1.26 -4.96 119.66 114.81 2crr s GLN 15 Ca 0.57 -2.74 -0.27 0.00 -1.95 0.00 0.00 55.36 50.96 2crr s GLN 15 Cb 0.46 -3.96 0.02 0.00 -0.22 0.00 0.00 33.01 29.30 2crr s GLN 15 CO -0.13 -1.22 1.55 0.45 -0.25 0.00 0.00 175.29 175.69 2crr h HIS 16 N 6.90 -1.62 0.19 0.91 3.86 -1.99 0.29 115.15 123.69 2crr h HIS 16 Ca 0.06 0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2crr h HIS 16 Cb 0.93 0.83 -0.03 0.00 1.06 0.00 0.00 27.41 30.21 2crr h HIS 16 CO 0.78 -0.39 -0.36 1.96 0.86 0.00 0.00 177.93 180.78 2crr h GLN 17 N -0.05 -0.57 -0.30 2.45 7.50 -1.92 -1.33 115.11 120.88 2crr h GLN 17 Ca 0.20 0.04 0.04 0.00 0.50 0.00 0.00 58.65 59.43 2crr h GLN 17 Cb 0.49 0.13 -0.07 0.00 0.05 0.00 0.00 27.48 28.08 2crr h GLN 17 CO -0.91 -0.38 -0.47 1.25 -1.50 0.00 0.00 178.83 176.82 2crr h LEU 18 N -0.59 -1.56 -0.82 1.46 5.85 -1.73 -1.75 115.31 116.17 2crr h LEU 18 Ca -0.02 0.20 0.11 0.00 0.84 0.00 0.00 57.88 59.01 2crr h LEU 18 Cb 0.56 0.63 -0.13 0.00 0.37 0.00 0.00 40.66 42.10 2crr h LEU 18 CO -0.14 -0.35 -0.46 0.40 -0.34 0.00 0.00 178.44 177.54 2crr h ILE 19 N -0.37 0.03 -0.85 4.05 2.04 -0.34 0.44 117.51 122.52 2crr h ILE 19 Ca 0.05 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.11 2crr h ILE 19 Cb 0.52 0.03 -0.12 0.00 -0.74 0.00 0.00 36.82 36.51 2crr h ILE 19 CO -0.48 0.00 0.32 -0.07 0.00 0.00 0.00 178.15 177.92 2crr h LEU 20 N -0.10 0.22 -0.38 1.44 3.38 -0.42 0.43 115.31 119.88 2crr h LEU 20 Ca 0.23 0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.31 2crr h LEU 20 Cb 0.54 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2crr h LEU 20 CO -0.85 -0.01 0.07 -1.28 0.09 0.00 0.00 178.44 176.46 2crr h SER 21 N 0.36 0.60 -0.48 -0.43 0.87 0.58 -3.05 113.55 112.01 2crr h SER 21 Ca 0.51 -0.25 0.09 0.00 -1.23 0.00 0.00 61.79 60.91 2crr h SER 21 Cb 0.93 -0.16 -0.08 0.00 -0.44 0.00 0.00 62.40 62.65 2crr h SER 21 CO -0.52 0.70 -0.02 0.11 -0.53 0.00 0.00 176.83 176.57 2crr h LYS 22 N 0.48 0.10 -0.76 2.24 6.56 0.11 -0.98 116.57 124.31 2crr h LYS 22 Ca 0.12 -0.01 0.13 0.00 -1.06 0.00 0.00 60.65 59.83 2crr h LYS 22 Cb 0.35 -0.02 -0.09 0.00 -0.57 0.00 0.00 32.23 31.90 2crr h LYS 22 CO 0.01 0.06 0.35 -0.07 -2.06 0.00 0.00 179.45 177.73 2crr h LEU 23 N 0.10 0.39 -0.91 2.94 3.38 -1.27 0.46 115.31 120.40 2crr h LEU 23 Ca 0.24 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2crr h LEU 23 Cb 0.37 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2crr h LEU 23 CO -0.42 0.18 0.00 0.18 0.09 0.00 0.00 178.44 178.47 2crr n LEU 24 N -4.93 0.36 -1.60 1.67 4.77 -0.39 -1.17 117.00 115.71 2crr n LEU 24 Ca 0.14 0.67 -0.15 0.00 -0.03 0.00 0.00 56.01 56.63 2crr n LEU 24 Cb 0.37 -0.71 0.09 0.00 -2.33 0.00 0.00 43.42 40.84 2crr n LEU 24 CO 0.21 -0.79 0.34 0.54 -1.33 0.00 0.00 177.39 176.37 2crr n ARG 25 N -1.98 2.90 -0.58 3.23 1.74 0.16 -3.94 116.66 118.18 2crr n ARG 25 Ca -0.01 -3.82 0.06 0.00 -0.77 0.00 0.00 57.85 53.31 2crr n ARG 25 Cb 0.02 -2.07 0.21 0.00 -1.02 0.00 0.00 32.46 29.60 2crr n ARG 25 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2crr n GLU 26 N -0.86 1.59 -1.83 5.56 -0.58 -0.31 -4.94 120.64 119.26 2crr n GLU 26 Ca 0.38 -3.26 -0.05 0.00 -0.42 0.00 0.00 57.16 53.81 2crr n GLU 26 Cb 0.89 -1.62 -0.01 0.00 -0.57 0.00 0.00 31.44 30.12 2crr n GLU 26 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2crr n GLU 27 N -1.14 -1.92 0.00 3.49 4.07 -1.26 -4.59 120.64 119.29 2crr n GLU 27 Ca 0.20 0.27 0.00 0.00 -0.06 0.00 0.00 57.16 57.56 2crr n GLU 27 Cb 0.70 -4.59 0.00 0.00 -0.06 0.00 0.00 31.44 27.50 2crr n GLU 27 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 2crr n ASP 28 N -0.62 3.42 -0.41 4.31 5.68 -1.26 -4.78 116.55 122.89 2crr n ASP 28 Ca -0.05 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.32 2crr n ASP 28 Cb 0.36 0.09 0.18 0.00 -1.14 0.00 0.00 41.12 40.61 2crr n ASP 28 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2crr n ASN 29 N -2.18 2.69 0.25 -1.12 3.02 -1.25 -4.43 115.26 112.24 2crr n ASN 29 Ca 0.00 -3.20 0.07 0.00 -0.03 0.00 0.00 54.58 51.42 2crr n ASN 29 Cb 0.41 -0.48 0.61 0.00 -0.61 0.00 0.00 39.78 39.71 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 0.63 0.00 -4.89 3.52 1.79 -1.82 -3.43 116.57 112.36 2crr h LYS 30 Ca 0.01 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.17 2crr h LYS 30 Cb 1.16 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.66 2crr h LYS 30 CO 0.08 0.03 -0.66 0.71 -1.08 0.00 0.00 179.45 178.54 2crr s TYR 31 N -4.99 1.34 0.97 -1.35 2.02 -1.26 -3.51 117.35 110.57 2crr s TYR 31 Ca -0.05 -1.00 -0.13 0.00 -0.37 0.00 0.00 57.07 55.52 2crr s TYR 31 Cb 0.17 -0.76 0.06 0.00 -0.40 0.00 0.00 41.96 41.03 2crr s TYR 31 CO 0.67 -0.17 0.48 0.00 -1.57 0.00 0.00 175.55 174.96 2crr n ALA 33 N -3.81 2.48 0.02 0.00 0.00 -1.15 -3.35 120.51 114.70 2crr n ALA 33 Ca 0.07 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2crr n ALA 33 Cb 0.54 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 0.94 0.18 -0.25 0.00 8.00 -1.26 -4.84 116.55 119.32 2crr n ASP 34 Ca 0.17 0.07 0.13 0.00 0.71 0.00 0.00 54.79 55.87 2crr n ASP 34 Cb 0.49 -0.02 0.46 0.00 -0.02 0.00 0.00 41.12 42.03 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 -0.60 -4.95 -2.19 0.00 1.02 -1.21 -4.88 120.64 107.82 2crr n GLU 36 Ca 0.14 0.57 -0.42 0.00 -0.02 0.00 0.00 57.16 57.42 2crr n GLU 36 Cb 0.33 -5.42 -0.03 0.00 -0.02 0.00 0.00 31.44 26.30 2crr n GLU 36 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2crr s ALA 37 N -3.25 3.57 -0.11 0.62 0.00 -1.26 -4.35 121.76 116.98 2crr s ALA 37 Ca 0.64 1.11 -0.29 0.00 0.00 0.00 0.00 51.96 53.41 2crr s ALA 37 Cb -0.32 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.22 2crr s ALA 37 CO 0.79 -0.59 1.74 0.15 0.00 0.00 0.00 175.76 177.84 2crr s LYS 38 N 0.89 3.95 0.00 0.00 1.02 -1.26 -2.46 119.74 121.88 2crr s LYS 38 Ca 0.63 2.07 0.00 0.00 0.02 0.00 0.00 55.97 58.69 2crr s LYS 38 Cb -0.37 -4.06 0.00 0.00 -0.52 0.00 0.00 37.83 32.88 2crr s LYS 38 CO 0.32 -1.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.03 2crr n GLY 39 N 4.51 0.87 3.57 -3.33 0.00 -1.23 -5.00 105.19 104.59 2crr n GLY 39 Ca 0.19 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 2crr n GLY 39 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crr s PRO 40 N -1.82 2.54 0.00 1.61 0.04 -1.25 -4.83 135.00 131.30 2crr s PRO 40 Ca 0.00 -0.54 0.00 0.00 0.04 0.00 0.00 61.00 60.50 2crr s PRO 40 Cb 0.00 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.42 2crr s PRO 40 CO 0.00 -3.55 0.60 -2.13 0.04 0.00 0.00 177.00 171.96 2crr n ARG 41 N 8.69 0.00 -0.52 4.56 0.00 -1.26 -4.77 116.66 123.36 2crr n ARG 41 Ca 0.41 0.47 -0.29 0.00 -0.00 0.00 0.00 57.85 58.45 2crr n ARG 41 Cb 0.47 -1.28 0.24 0.00 0.00 0.00 0.00 32.46 31.89 2crr n ARG 41 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 2crr n TRP 42 N -1.92 -0.87 -3.64 -0.14 7.02 -1.15 -4.51 117.44 112.23 2crr n TRP 42 Ca 0.00 -0.04 -0.06 0.00 -1.02 0.00 0.00 57.50 56.38 2crr n TRP 42 Cb 0.00 -1.75 -0.07 0.00 -2.42 0.00 0.00 31.31 27.07 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 -2.44 -2.04 -0.39 6.99 0.00 -1.25 -2.37 121.76 120.26 2crr s ALA 43 Ca 0.68 2.30 -0.22 0.00 0.00 0.00 0.00 51.96 54.72 2crr s ALA 43 Cb -0.25 -1.53 0.01 0.00 0.00 0.00 0.00 23.12 21.35 2crr s ALA 43 CO 0.64 -0.36 0.72 -1.12 0.00 0.00 0.00 175.76 175.64 2crr s SER 44 N 1.41 6.45 -0.06 0.00 0.01 0.26 -4.30 113.70 117.48 2crr s SER 44 Ca -0.09 0.12 -0.26 0.00 1.31 0.00 0.00 55.95 57.03 2crr s SER 44 Cb -0.04 -2.36 -0.21 0.00 0.21 0.00 0.00 66.02 63.61 2crr s SER 44 CO -0.16 -0.72 1.07 4.11 0.41 0.00 0.00 173.24 177.94 2crr h TRP 45 N 8.61 -0.03 -1.47 2.43 5.08 -1.82 0.27 115.95 129.03 2crr h TRP 45 Ca -0.25 -0.00 0.43 0.00 1.08 0.00 0.00 58.89 60.15 2crr h TRP 45 Cb 1.10 0.01 -0.08 0.00 -3.00 0.00 0.00 29.16 27.19 2crr h TRP 45 CO 0.77 0.59 1.03 -2.95 -1.28 0.00 0.00 178.44 176.60 2crr h ASN 46 N -0.68 0.09 0.03 0.11 -1.07 -1.92 0.33 115.58 112.46 2crr h ASN 46 Ca -0.00 0.03 -0.38 0.00 0.07 0.00 0.00 56.30 56.02 2crr h ASN 46 Cb 0.63 0.03 -0.06 0.00 -2.07 0.00 0.00 38.32 36.85 2crr h ASN 46 CO 0.01 -0.03 -2.35 -0.38 0.07 0.00 0.00 177.43 174.75 2crr n ILE 47 N -4.24 1.57 -0.77 6.14 5.41 -1.20 -5.00 119.36 121.27 2crr n ILE 47 Ca 0.34 -0.59 0.00 0.00 1.00 0.00 0.00 62.75 63.51 2crr n ILE 47 Cb 1.51 -1.51 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 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 2.17 0.97 3.17 7.39 0.00 0.89 -4.74 105.19 115.04 2crr n GLY 48 Ca -0.42 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.29 0.10 -0.29 1.61 -7.23 -0.76 -0.37 120.40 111.18 2crr s VAL 49 Ca 0.00 -0.84 -0.15 0.00 -1.81 0.00 0.00 61.98 59.18 2crr s VAL 49 Cb 0.00 -0.81 -0.03 0.00 0.56 0.00 0.00 36.38 36.10 2crr s VAL 49 CO 0.00 -0.46 0.36 -0.36 -0.31 0.00 0.00 175.10 174.32 2crr s PHE 50 N -2.29 3.23 0.32 2.82 0.40 -1.26 -0.57 117.98 120.63 2crr s PHE 50 Ca -0.07 0.28 0.09 0.00 -0.60 0.00 0.00 56.93 56.63 2crr s PHE 50 Cb -0.02 -2.59 -0.06 0.00 0.51 0.00 0.00 43.02 40.86 2crr s PHE 50 CO -0.02 -0.28 -0.10 0.96 0.70 0.00 0.00 175.22 176.48 2crr s ILE 51 N 2.04 2.13 0.91 0.64 -4.36 -1.00 -2.93 121.20 118.64 2crr s ILE 51 Ca 0.14 -2.21 -0.14 0.00 -0.26 0.00 0.00 60.65 58.18 2crr s ILE 51 Cb -0.16 -2.56 0.18 0.00 1.25 0.00 0.00 42.46 41.17 2crr s ILE 51 CO 0.11 -0.25 1.26 0.00 0.24 0.00 0.00 174.94 176.30 2crr h ILE 53 N -1.43 1.21 0.07 0.00 6.09 -1.93 -1.53 117.51 119.99 2crr h ILE 53 Ca -0.43 -0.66 0.01 0.00 -1.37 0.00 0.00 64.86 62.40 2crr h ILE 53 Cb 1.25 1.40 -0.04 0.00 0.47 0.00 0.00 36.82 39.90 2crr h ILE 53 CO 0.41 0.20 -0.42 -0.09 -3.07 0.00 0.00 178.15 175.18 2crr h ARG 54 N 0.00 -0.55 -0.61 2.19 1.12 -2.01 -1.70 114.38 112.82 2crr h ARG 54 Ca 0.04 0.04 0.09 0.00 -1.11 0.00 0.00 59.98 59.04 2crr h ARG 54 Cb 0.28 0.13 -0.07 0.00 -0.01 0.00 0.00 29.97 30.30 2crr h ARG 54 CO 0.00 -0.37 0.24 0.00 -3.11 0.00 0.00 179.97 176.74 2crr h ALA 56 N 1.40 0.08 -0.85 0.00 0.00 -0.69 -0.63 119.26 118.58 2crr h ALA 56 Ca 0.30 0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.58 2crr h ALA 56 Cb 0.35 0.67 -0.16 0.00 0.00 0.00 0.00 17.79 18.65 2crr h ALA 56 CO -0.29 -0.60 -0.11 0.78 0.00 0.00 0.00 179.25 179.03 2crr h GLY 57 N -0.13 0.78 0.97 0.00 0.00 -0.73 0.19 103.07 104.15 2crr h GLY 57 Ca 0.24 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.77 2crr h GLY 57 CO -0.64 -0.34 0.23 -2.22 0.00 0.00 0.00 176.54 173.56 2crr h ILE 58 N 0.03 1.19 -0.68 2.60 5.03 -1.18 -2.81 117.51 121.68 2crr h ILE 58 Ca 0.44 -0.52 0.12 0.00 -0.12 0.00 0.00 64.86 64.78 2crr h ILE 58 Cb 0.75 0.66 -0.08 0.00 -3.03 0.00 0.00 36.82 35.11 2crr h ILE 58 CO -0.82 0.20 0.26 0.45 -0.68 0.00 0.00 178.15 177.56 2crr h HIS 59 N 0.62 0.44 -0.33 1.37 3.86 -0.09 -1.66 115.15 119.36 2crr h HIS 59 Ca 0.16 0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.47 2crr h HIS 59 Cb 0.11 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.43 2crr h HIS 59 CO -0.01 0.08 -0.09 0.00 0.86 0.00 0.00 177.93 178.77 2crr h ARG 60 N 0.42 -0.01 -0.36 2.45 3.08 -1.04 -2.14 114.38 116.78 2crr h ARG 60 Ca 0.36 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.48 2crr h ARG 60 Cb 0.50 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.49 2crr h ARG 60 CO -0.36 -0.01 -0.03 -2.95 -1.07 0.00 0.00 179.97 175.55 2crr h ASN 61 N -0.01 -0.21 -0.65 7.04 7.08 -1.25 -2.41 115.58 125.16 2crr h ASN 61 Ca 0.16 0.09 0.12 0.00 -3.08 0.00 0.00 56.30 53.60 2crr h ASN 61 Cb 0.25 0.17 -0.12 0.00 -2.08 0.00 0.00 38.32 36.55 2crr h ASN 61 CO -0.35 -0.07 -0.18 0.18 -2.08 0.00 0.00 177.43 174.94 2crr n LEU 62 N -5.22 -0.27 0.00 6.14 4.77 -0.81 -4.81 117.00 116.80 2crr n LEU 62 Ca 0.02 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.12 2crr n LEU 62 Cb 0.20 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2crr n LEU 62 CO 0.19 -1.06 0.00 0.61 -1.33 0.00 0.00 177.39 175.80 2crr n GLY 63 N -1.39 4.28 0.43 -0.72 0.00 -0.91 -4.69 105.19 102.20 2crr n GLY 63 Ca 0.10 -0.99 0.22 0.00 0.00 0.00 0.00 46.02 45.35 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 0.19 0.13 1.61 -1.51 -1.77 0.89 116.25 115.79 2crr h VAL 64 Ca 0.00 0.00 -0.28 0.00 -1.23 0.00 0.00 66.70 65.19 2crr h VAL 64 Cb 0.00 0.39 0.01 0.00 -2.13 0.00 0.00 31.29 29.55 2crr h VAL 64 CO 0.00 0.00 -1.24 1.12 -1.23 0.00 0.00 177.57 176.22 2crr h HIS 65 N 0.00 0.56 0.03 5.19 -0.00 -1.96 -3.37 115.15 115.59 2crr h HIS 65 Ca 0.28 -0.40 -0.00 0.00 -0.00 0.00 0.00 60.37 60.26 2crr h HIS 65 Cb 1.77 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 29.15 2crr h HIS 65 CO 0.00 1.30 -0.01 0.82 -0.00 0.00 0.00 177.93 180.04 2crr h ILE 66 N 0.10 1.01 -2.03 6.12 2.04 0.42 -3.48 117.51 121.69 2crr h ILE 66 Ca -0.14 -1.67 0.01 0.00 1.00 0.00 0.00 64.86 64.06 2crr h ILE 66 Cb 1.96 1.88 -0.21 0.00 -0.74 0.00 0.00 36.82 39.70 2crr h ILE 66 CO 0.21 0.33 0.01 -0.44 0.00 0.00 0.00 178.15 178.26 2crr s SER 67 N -5.86 -0.92 0.14 1.72 0.01 0.14 -4.95 113.70 103.98 2crr s SER 67 Ca -0.11 1.49 0.00 0.00 1.31 0.00 0.00 55.95 58.64 2crr s SER 67 Cb -0.01 1.37 -0.04 0.00 0.21 0.00 0.00 66.02 67.54 2crr s SER 67 CO 0.41 -0.24 0.31 -0.13 0.41 0.00 0.00 173.24 174.00 2crr s ARG 68 N 1.57 3.48 -0.05 12.44 0.52 -1.26 -4.26 118.95 131.39 2crr s ARG 68 Ca -0.09 -0.42 0.04 0.00 -0.52 0.00 0.00 55.73 54.73 2crr s ARG 68 Cb -0.05 -2.93 0.00 0.00 0.52 0.00 0.00 34.95 32.48 2crr s ARG 68 CO -0.19 0.50 -0.15 0.08 0.02 0.00 0.00 175.30 175.56 2crr s VAL 69 N -1.71 1.30 -0.19 3.52 1.01 -1.26 -4.40 120.40 118.66 2crr s VAL 69 Ca 0.37 -0.63 -0.25 0.00 0.00 0.00 0.00 61.98 61.46 2crr s VAL 69 Cb -0.12 -1.13 0.07 0.00 0.00 0.00 0.00 36.38 35.19 2crr s VAL 69 CO 0.28 0.38 0.67 -1.59 0.00 0.00 0.00 175.10 174.84 2crr s LYS 70 N 0.19 0.85 0.32 2.72 -2.85 -1.26 -5.06 119.74 114.65 2crr s LYS 70 Ca -0.06 0.73 -0.29 0.00 -1.00 0.00 0.00 55.97 55.35 2crr s LYS 70 Cb -0.12 0.41 -0.12 0.00 -2.06 0.00 0.00 37.83 35.94 2crr s LYS 70 CO 0.02 -0.16 1.41 0.43 0.10 0.00 0.00 175.35 177.16 2crr n SER 71 N 2.21 3.18 -0.07 0.03 7.64 -1.26 -4.09 113.62 121.26 2crr n SER 71 Ca -0.15 1.19 -0.10 0.00 1.01 0.00 0.00 58.87 60.81 2crr n SER 71 Cb 0.56 -1.52 -0.03 0.00 -1.01 0.00 0.00 64.21 62.20 2crr n SER 71 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2crr h VAL 72 N 2.87 1.13 0.00 0.44 2.07 -1.85 -3.22 116.25 117.69 2crr h VAL 72 Ca -0.47 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2crr h VAL 72 Cb 1.26 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2crr h VAL 72 CO 0.68 0.13 -0.28 -3.20 0.02 0.00 0.00 177.57 174.92 2crr n ASN 73 N -4.84 0.72 -0.21 0.57 5.15 -1.26 -4.61 115.26 110.78 2crr n ASN 73 Ca -0.03 0.12 0.21 0.00 -0.60 0.00 0.00 54.58 54.27 2crr n ASN 73 Cb 0.09 -0.44 0.38 0.00 -0.53 0.00 0.00 39.78 39.27 2crr n ASN 73 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2crr n LEU 74 N -3.21 0.21 -4.96 1.20 4.77 -1.26 -4.19 117.00 109.56 2crr n LEU 74 Ca -0.04 1.01 -0.23 0.00 -0.03 0.00 0.00 56.01 56.72 2crr n LEU 74 Cb 0.15 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 2crr n LEU 74 CO 0.06 -1.13 -0.01 -1.81 -1.33 0.00 0.00 177.39 173.17 2crr s ASP 75 N -4.66 6.32 0.22 -1.43 1.11 -1.22 -5.01 116.67 112.01 2crr s ASP 75 Ca -0.05 0.16 -0.18 0.00 0.18 0.00 0.00 52.55 52.66 2crr s ASP 75 Cb 0.21 -1.90 -0.08 0.00 1.07 0.00 0.00 42.92 42.22 2crr s ASP 75 CO 0.49 -0.08 0.68 -1.58 1.18 0.00 0.00 175.17 175.86 2crr s GLN 76 N -3.88 4.16 0.45 8.23 0.74 -1.26 -4.75 119.66 123.35 2crr s GLN 76 Ca 0.35 0.76 0.03 0.00 0.05 0.00 0.00 55.36 56.55 2crr s GLN 76 Cb -0.10 -2.84 -0.03 0.00 1.10 0.00 0.00 33.01 31.15 2crr s GLN 76 CO 0.30 0.39 0.05 -1.58 -0.55 0.00 0.00 175.29 173.90 2crr s TRP 77 N -1.56 1.92 0.06 1.67 0.52 -1.26 -5.03 118.94 115.26 2crr s TRP 77 Ca 0.43 -1.03 0.01 0.00 0.02 0.00 0.00 56.10 55.53 2crr s TRP 77 Cb -0.16 -1.45 -0.03 0.00 -1.15 0.00 0.00 33.47 30.68 2crr s TRP 77 CO 0.20 0.06 -0.06 0.95 0.02 0.00 0.00 176.95 178.12 2crr s THR 78 N -3.00 0.52 0.27 2.01 -4.23 -1.26 -5.04 115.64 104.90 2crr s THR 78 Ca 0.18 -1.50 -0.03 0.00 -1.18 0.00 0.00 61.69 59.16 2crr s THR 78 Cb 0.03 -1.12 0.32 0.00 1.34 0.00 0.00 72.50 73.08 2crr s THR 78 CO 0.10 -0.67 1.62 0.00 -0.54 0.00 0.00 174.62 175.13 2crr h ALA 79 N 3.73 1.00 -0.64 3.99 0.00 -2.02 0.12 119.26 125.45 2crr h ALA 79 Ca -0.35 0.26 0.13 0.00 0.00 0.00 0.00 54.91 54.95 2crr h ALA 79 Cb 1.18 0.44 -0.12 0.00 0.00 0.00 0.00 17.79 19.28 2crr h ALA 79 CO 0.53 -0.47 -0.19 1.49 0.00 0.00 0.00 179.25 180.62 2crr h GLU 80 N 0.11 -0.03 -0.01 0.00 4.22 -2.00 0.71 114.58 117.59 2crr h GLU 80 Ca 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.93 2crr h GLU 80 Cb 0.94 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 2crr h GLU 80 CO -0.73 -0.02 -0.00 1.96 -2.18 0.00 0.00 179.01 178.05 2crr h GLN 81 N -0.03 0.02 -0.11 1.92 7.50 -1.23 -2.93 115.11 120.26 2crr h GLN 81 Ca 0.30 -0.01 0.02 0.00 0.50 0.00 0.00 58.65 59.47 2crr h GLN 81 Cb 0.49 -0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.97 2crr h GLN 81 CO -0.67 0.37 -0.40 0.82 -1.50 0.00 0.00 178.83 177.45 2crr h ILE 82 N -0.34 0.00 -0.75 2.54 1.08 -0.26 -0.58 117.51 119.20 2crr h ILE 82 Ca 0.00 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.64 2crr h ILE 82 Cb 0.37 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 33.98 2crr h ILE 82 CO 0.00 0.00 -0.09 -0.61 -0.69 0.00 0.00 178.15 176.76 2crr h GLN 83 N -0.43 0.05 0.15 2.37 5.75 -0.98 -0.91 115.11 121.11 2crr h GLN 83 Ca 0.02 -0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.54 2crr h GLN 83 Cb 0.50 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.00 2crr h GLN 83 CO -0.33 0.03 -0.34 0.00 -2.65 0.00 0.00 178.83 175.54 2crr n MET 85 N -5.43 -0.08 -0.05 0.00 2.81 -0.31 0.61 117.12 114.67 2crr n MET 85 Ca -0.07 1.39 -0.14 0.00 -1.81 0.00 0.00 57.70 57.07 2crr n MET 85 Cb 0.34 -2.17 -0.07 0.00 -0.71 0.00 0.00 33.22 30.61 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 0.46 0.22 0.03 7.50 -1.23 0.17 115.11 122.25 2crr h GLN 86 Ca 0.52 -0.29 0.01 0.00 0.50 0.00 0.00 58.65 59.39 2crr h GLN 86 Cb 1.01 0.03 -0.04 0.00 0.05 0.00 0.00 27.48 28.54 2crr h GLN 86 CO -0.88 0.89 -0.42 -0.44 -1.50 0.00 0.00 178.83 176.48 2crr h ASP 87 N 0.08 -1.21 0.00 1.46 5.19 0.17 -3.37 116.42 118.74 2crr h ASP 87 Ca 0.01 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 2crr h ASP 87 Cb 0.87 0.44 0.00 0.00 0.18 0.00 0.00 39.33 40.82 2crr h ASP 87 CO 0.06 -0.52 0.00 0.80 -3.12 0.00 0.00 179.24 176.47 2crr n MET 88 N -5.48 0.00 -1.35 3.56 1.56 0.51 -4.94 117.12 110.99 2crr n MET 88 Ca -0.08 0.25 0.18 0.00 -0.27 0.00 0.00 57.70 57.78 2crr n MET 88 Cb 0.39 -0.72 -0.06 0.00 2.15 0.00 0.00 33.22 34.99 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 2.12 -2.25 0.25 -5.12 0.00 0.58 -3.45 105.19 97.31 2crr n GLY 89 Ca 0.00 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.27 0.88 -0.50 1.61 4.21 -1.81 -2.29 115.58 116.40 2crr h ASN 90 Ca -0.03 -0.41 0.05 0.00 1.21 0.00 0.00 56.30 57.11 2crr h ASN 90 Cb 1.25 -0.24 -0.06 0.00 -1.12 0.00 0.00 38.32 38.14 2crr h ASN 90 CO 0.03 1.10 -0.30 0.41 -1.29 0.00 0.00 177.43 177.38 2crr n THR 91 N -4.22 -0.34 -0.04 2.81 -1.04 -1.26 -0.89 114.28 109.29 2crr n THR 91 Ca -0.02 1.94 -0.12 0.00 -2.04 0.00 0.00 64.05 63.81 2crr n THR 91 Cb 0.44 -2.46 -0.07 0.00 -1.82 0.00 0.00 70.33 66.42 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 0.25 -0.96 -2.82 1.57 -1.63 -3.06 116.57 109.92 2crr h LYS 92 Ca 0.08 -0.10 0.40 0.00 -1.87 0.00 0.00 60.65 59.16 2crr h LYS 92 Cb 0.21 -0.01 -0.17 0.00 0.08 0.00 0.00 32.23 32.33 2crr h LYS 92 CO -0.47 0.55 0.49 0.00 -0.57 0.00 0.00 179.45 179.44 2crr n ALA 93 N -2.34 0.96 0.01 3.86 0.00 -0.66 0.18 120.51 122.52 2crr n ALA 93 Ca -0.06 0.99 -0.16 0.00 0.00 0.00 0.00 53.44 54.21 2crr n ALA 93 Cb 0.25 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.67 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 0.67 0.00 0.00 2.43 -0.92 0.20 114.38 116.75 2crr h ARG 94 Ca 0.81 -0.60 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2crr h ARG 94 Cb 2.11 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.80 2crr h ARG 94 CO -0.75 1.21 0.00 1.28 -1.51 0.00 0.00 179.97 180.19 2crr n LEU 95 N -3.88 0.00 -0.01 3.80 4.77 0.47 -1.65 117.00 120.49 2crr n LEU 95 Ca -0.08 0.28 -0.03 0.00 -0.03 0.00 0.00 56.01 56.15 2crr n LEU 95 Cb 0.78 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 2crr n LEU 95 CO 0.53 -0.05 -0.22 -0.11 -1.33 0.00 0.00 177.39 176.21 2crr n LEU 96 N -1.28 1.01 -0.03 2.23 -0.00 0.11 -4.50 117.00 114.54 2crr n LEU 96 Ca 0.12 0.16 -0.14 0.00 -0.00 0.00 0.00 56.01 56.15 2crr n LEU 96 Cb 0.20 -0.44 -0.10 0.00 -0.00 0.00 0.00 43.42 43.07 2crr n LEU 96 CO 0.19 -0.51 0.49 1.88 -0.00 0.00 0.00 177.39 179.44 2crr h TYR 97 N -0.33 0.19 -0.24 1.96 0.05 -0.75 -2.87 116.97 114.99 2crr h TYR 97 Ca 0.00 -0.09 -0.14 0.00 0.05 0.00 0.00 58.73 58.55 2crr h TYR 97 Cb 0.33 -0.03 -0.07 0.00 1.01 0.00 0.00 36.73 37.97 2crr h TYR 97 CO -0.14 0.79 0.18 0.39 -1.05 0.00 0.00 178.16 178.34 2crr n GLU 98 N -4.62 1.35 -0.12 4.88 1.02 -0.66 -3.84 120.64 118.65 2crr n GLU 98 Ca -0.09 -0.75 -0.16 0.00 -0.02 0.00 0.00 57.16 56.14 2crr n GLU 98 Cb 0.41 -1.29 -0.13 0.00 -0.02 0.00 0.00 31.44 30.41 2crr n GLU 98 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2crr n ALA 99 N 0.50 1.46 0.25 0.62 0.00 -1.16 -4.32 120.51 117.85 2crr n ALA 99 Ca 0.15 -1.15 0.04 0.00 0.00 0.00 0.00 53.44 52.47 2crr n ALA 99 Cb 0.67 -0.11 0.18 0.00 0.00 0.00 0.00 19.45 20.18 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 -3.15 2.97 -4.78 0.00 3.02 -1.24 -4.92 115.26 107.16 2crr n ASN 100 Ca -0.43 -2.36 -0.37 0.00 -0.03 0.00 0.00 54.58 51.39 2crr n ASN 100 Cb 1.02 -0.53 -0.05 0.00 -0.61 0.00 0.00 39.78 39.62 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 -1.23 4.22 0.36 3.41 1.43 -1.26 -4.81 118.68 120.80 2crr s LEU 101 Ca 0.25 2.01 -0.27 0.00 -1.03 0.00 0.00 54.13 55.09 2crr s LEU 101 Cb 0.18 -4.10 -0.09 0.00 0.03 0.00 0.00 46.19 42.21 2crr s LEU 101 CO 0.09 -0.37 1.21 -2.16 0.23 0.00 0.00 176.35 175.35 2crr s PRO 102 N -2.31 4.25 0.35 1.29 0.04 -1.26 -4.91 135.00 132.44 2crr s PRO 102 Ca 0.55 1.97 0.14 0.00 0.04 0.00 0.00 61.00 63.70 2crr s PRO 102 Cb -0.22 -2.90 1.00 0.00 0.04 0.00 0.00 34.50 32.42 2crr s PRO 102 CO 0.28 -0.19 1.74 1.05 0.04 0.00 0.00 177.00 179.91 2crr h GLU 103 N 3.08 0.47 -1.00 4.56 4.11 -1.99 0.36 114.58 124.17 2crr h GLU 103 Ca -0.48 -0.03 -0.66 0.00 0.07 0.00 0.00 59.36 58.26 2crr h GLU 103 Cb 1.23 -0.11 -0.29 0.00 0.50 0.00 0.00 28.75 30.08 2crr h GLU 103 CO 0.64 0.31 0.85 0.27 0.07 0.00 0.00 179.01 181.15 2crr n ASN 104 N -4.80 7.29 -4.76 3.06 0.23 -1.26 -5.00 115.26 110.01 2crr n ASN 104 Ca 0.27 -3.77 -0.39 0.00 -0.53 0.00 0.00 54.58 50.16 2crr n ASN 104 Cb 0.83 -0.96 0.01 0.00 -2.08 0.00 0.00 39.78 37.59 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 -3.77 2.54 -0.37 -2.53 5.36 0.13 -5.00 117.98 114.34 2crr s PHE 105 Ca 0.64 1.33 0.02 0.00 -0.96 0.00 0.00 56.93 57.96 2crr s PHE 105 Cb 0.51 -3.81 0.11 0.00 -0.34 0.00 0.00 43.02 39.48 2crr s PHE 105 CO 0.00 -2.65 0.12 0.50 -1.46 0.00 0.00 175.22 171.74 2crr s ARG 106 N -2.49 1.25 -0.10 10.12 3.52 -1.26 -5.05 118.95 124.93 2crr s ARG 106 Ca 0.62 -1.71 -0.35 0.00 -0.13 0.00 0.00 55.73 54.16 2crr s ARG 106 Cb -0.41 -2.67 -0.12 0.00 -1.56 0.00 0.00 34.95 30.19 2crr s ARG 106 CO 0.52 -1.01 1.88 -2.13 -0.81 0.00 0.00 175.30 173.75 2crr n ARG 107 N 4.21 2.12 -2.26 5.12 0.63 -1.26 -4.92 116.66 120.31 2crr n ARG 107 Ca 0.03 0.78 -0.39 0.00 -0.92 0.00 0.00 57.85 57.34 2crr n ARG 107 Cb 0.40 -2.61 -0.02 0.00 0.45 0.00 0.00 32.46 30.67 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 4.08 4.18 -0.15 -0.14 0.04 -1.26 -4.97 135.00 136.78 2crr s PRO 108 Ca 0.93 1.94 0.03 0.00 0.04 0.00 0.00 61.00 63.94 2crr s PRO 108 Cb -0.72 -2.83 -0.11 0.00 0.04 0.00 0.00 34.50 30.89 2crr s PRO 108 CO 0.53 -0.24 -0.11 1.04 0.04 0.00 0.00 177.00 178.25 2crr n GLN 109 N 0.37 0.63 -2.83 4.56 3.00 -1.26 -4.73 117.38 117.11 2crr n GLN 109 Ca 0.03 0.08 -0.37 0.00 -0.01 0.00 0.00 57.00 56.72 2crr n GLN 109 Cb 0.45 -1.31 -0.06 0.00 0.00 0.00 0.00 30.24 29.32 2crr n GLN 109 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2crr s THR 110 N -2.31 4.26 0.19 5.09 -4.23 -1.26 -4.89 115.64 112.49 2crr s THR 110 Ca -0.19 1.76 -0.13 0.00 -1.18 0.00 0.00 61.69 61.96 2crr s THR 110 Cb 0.05 -4.02 0.13 0.00 1.34 0.00 0.00 72.50 70.00 2crr s THR 110 CO 0.38 0.20 1.69 0.44 -0.54 0.00 0.00 174.62 176.80 2crr h ASP 111 N 3.35 -0.12 -0.85 3.99 5.19 -1.97 -0.66 116.42 125.35 2crr h ASP 111 Ca -0.47 0.11 0.27 0.00 -0.62 0.00 0.00 57.03 56.32 2crr h ASP 111 Cb 1.19 0.18 -0.16 0.00 0.18 0.00 0.00 39.33 40.72 2crr h ASP 111 CO 0.65 -0.03 0.14 1.67 -3.12 0.00 0.00 179.24 178.55 2crr n GLN 112 N -5.18 -0.06 -0.07 3.56 -0.06 -1.26 -0.45 117.38 113.85 2crr n GLN 112 Ca 0.06 1.25 -0.09 0.00 -2.00 0.00 0.00 57.00 56.22 2crr n GLN 112 Cb 0.28 -2.05 -0.05 0.00 -4.06 0.00 0.00 30.24 24.35 2crr n GLN 112 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2crr h ALA 113 N 1.71 0.06 -0.25 1.69 0.00 -1.68 -3.37 119.26 117.42 2crr h ALA 113 Ca 0.57 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2crr h ALA 113 Cb 1.29 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 2crr h ALA 113 CO -0.76 0.34 -0.19 0.28 0.00 0.00 0.00 179.25 178.91 2crr h VAL 114 N -1.00 0.00 -0.63 0.00 2.07 0.01 0.38 116.25 117.08 2crr h VAL 114 Ca -0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.53 2crr h VAL 114 Cb 0.65 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.32 2crr h VAL 114 CO -0.05 0.00 -0.27 1.21 0.02 0.00 0.00 177.57 178.48 2crr n GLU 115 N -3.69 -0.17 -0.05 1.57 4.07 0.41 0.15 120.64 122.92 2crr n GLU 115 Ca -0.00 0.97 -0.10 0.00 -0.06 0.00 0.00 57.16 57.97 2crr n GLU 115 Cb 0.10 -1.44 -0.04 0.00 -0.06 0.00 0.00 31.44 30.00 2crr n GLU 115 CO 0.00 0.00 0.00 0.74 -0.06 0.00 0.00 177.13 177.81 2crr h PHE 116 N 0.00 0.28 -0.55 4.31 0.04 -1.33 -1.09 116.94 118.61 2crr h PHE 116 Ca 0.20 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 61.02 2crr h PHE 116 Cb 0.36 -0.09 -0.08 0.00 2.20 0.00 0.00 35.95 38.33 2crr h PHE 116 CO -0.57 0.26 -0.51 0.35 -0.60 0.00 0.00 178.31 177.24 2crr h PHE 117 N 0.22 -1.58 -0.78 -0.55 3.57 0.34 0.57 116.94 118.73 2crr h PHE 117 Ca 0.07 0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 2crr h PHE 117 Cb 0.08 0.76 -0.04 0.00 2.79 0.00 0.00 35.95 39.54 2crr h PHE 117 CO -0.04 -0.40 0.34 0.82 -2.23 0.00 0.00 178.31 176.81 2crr h ILE 118 N -0.23 1.25 0.00 1.41 2.04 -1.31 1.74 117.51 122.42 2crr h ILE 118 Ca 0.09 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.19 2crr h ILE 118 Cb 0.47 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2crr h ILE 118 CO -0.64 0.32 0.00 0.54 0.00 0.00 0.00 178.15 178.37 2crr n ARG 119 N -4.29 0.05 0.00 2.37 1.74 -0.05 -1.29 116.66 115.20 2crr n ARG 119 Ca 0.07 0.25 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 2crr n ARG 119 Cb 0.17 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 2crr n ARG 119 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2crr n ASP 120 N -1.44 0.29 -0.04 0.55 8.00 0.18 -3.14 116.55 120.95 2crr n ASP 120 Ca 0.04 -0.35 -0.17 0.00 0.71 0.00 0.00 54.79 55.02 2crr n ASP 120 Cb 0.13 0.76 -0.14 0.00 -0.02 0.00 0.00 41.12 41.85 2crr n ASP 120 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2crr n LYS 121 N -0.79 0.70 -0.09 -1.24 4.81 0.58 -1.23 118.16 120.90 2crr n LYS 121 Ca 0.00 0.21 -0.18 0.00 -0.87 0.00 0.00 58.31 57.47 2crr n LYS 121 Cb 0.00 -1.66 -0.07 0.00 0.02 0.00 0.00 35.03 33.32 2crr n LYS 121 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2crr n TYR 122 N -3.27 0.00 0.22 5.64 4.01 -0.41 -3.76 117.16 119.59 2crr n TYR 122 Ca -0.33 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.32 2crr n TYR 122 Cb 1.05 -0.67 -0.04 0.00 -0.31 0.00 0.00 39.34 39.36 2crr n TYR 122 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2crr h GLU 123 N -0.50 -0.56 0.00 -0.72 4.81 -1.70 -3.22 114.58 112.68 2crr h GLU 123 Ca -0.45 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.80 2crr h GLU 123 Cb 1.46 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.97 2crr h GLU 123 CO -0.23 -0.37 -0.09 0.87 -0.73 0.00 0.00 179.01 178.46 2crr h LYS 124 N -0.74 0.00 -5.10 1.92 1.79 -1.69 -3.47 116.57 109.28 2crr h LYS 124 Ca -0.06 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 58.00 2crr h LYS 124 Cb 0.45 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.15 2crr h LYS 124 CO 0.10 0.09 -0.63 1.63 -1.08 0.00 0.00 179.45 179.55 2crr n LYS 125 N -3.19 -5.60 0.18 3.15 4.76 -1.16 -4.92 118.16 111.37 2crr n LYS 125 Ca 0.01 0.82 -0.09 0.00 -2.87 0.00 0.00 58.31 56.18 2crr n LYS 125 Cb 0.40 -5.72 -0.04 0.00 -1.84 0.00 0.00 35.03 27.82 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 -1.75 -0.49 -1.24 1.97 1.57 -1.34 -2.64 116.57 112.65 2crr h LYS 126 Ca -0.54 0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.14 2crr h LYS 126 Cb 1.36 0.11 -0.07 0.00 0.08 0.00 0.00 32.23 33.71 2crr h LYS 126 CO 0.57 -0.33 0.17 0.66 -0.57 0.00 0.00 179.45 179.96 2crr n TYR 127 N -3.66 0.73 -3.17 -1.35 4.02 -1.26 -4.86 117.16 107.61 2crr n TYR 127 Ca -0.06 -1.03 -0.40 0.00 -0.01 0.00 0.00 57.90 56.40 2crr n TYR 127 Cb 0.22 -0.51 -0.06 0.00 -0.02 0.00 0.00 39.34 38.96 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 -0.81 3.33 -1.11 -0.72 5.04 -1.00 -3.67 117.35 118.41 2crr s TYR 128 Ca 0.14 0.81 -0.05 0.00 -2.44 0.00 0.00 57.07 55.53 2crr s TYR 128 Cb 0.11 -2.76 0.13 0.00 0.35 0.00 0.00 41.96 39.79 2crr s TYR 128 CO 0.02 -0.21 2.41 -3.47 -1.34 0.00 0.00 175.55 172.96 2crr n ASP 129 N 5.22 7.66 -0.42 4.32 -0.08 -1.09 -4.74 116.55 127.42 2crr n ASP 129 Ca -0.03 -3.22 0.40 0.00 -1.51 0.00 0.00 54.79 50.43 2crr n ASP 129 Cb 0.50 -1.31 0.71 0.00 2.34 0.00 0.00 41.12 43.36 2crr n ASP 129 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2crr h LYS 130 N 4.20 0.00 -0.84 -0.67 -0.00 -1.93 0.14 116.57 117.47 2crr h LYS 130 Ca 0.62 0.00 0.21 0.00 -0.00 0.00 0.00 60.65 61.48 2crr h LYS 130 Cb 0.39 0.00 -0.14 0.00 -0.00 0.00 0.00 32.23 32.48 2crr h LYS 130 CO 1.32 0.00 0.16 -0.91 -0.00 0.00 0.00 179.45 180.03 2crr h ASN 131 N 0.00 -0.10 -0.97 7.07 2.35 -1.99 0.29 115.58 122.23 2crr h ASN 131 Ca 0.67 0.19 0.27 0.00 -0.55 0.00 0.00 56.30 56.89 2crr h ASN 131 Cb 2.92 0.29 -0.14 0.00 0.05 0.00 0.00 38.32 41.44 2crr h ASN 131 CO -0.01 -0.15 0.50 0.00 -1.65 0.00 0.00 177.43 176.12 2crr h ALA 132 N 1.75 1.73 -1.77 -0.83 0.00 -1.13 -2.08 119.26 116.93 2crr h ALA 132 Ca 0.50 0.17 -0.77 0.00 0.00 0.00 0.00 54.91 54.82 2crr h ALA 132 Cb 0.97 0.14 -0.30 0.00 0.00 0.00 0.00 17.79 18.60 2crr h ALA 132 CO -0.65 -0.45 0.60 -0.89 0.00 0.00 0.00 179.25 177.86 2crr n ILE 133 N -5.04 5.08 1.73 0.00 -0.00 0.10 -4.78 119.36 116.46 2crr n ILE 133 Ca 0.28 -5.85 0.00 0.00 -0.00 0.00 0.00 62.75 57.17 2crr n ILE 133 Cb 0.83 -1.87 0.00 0.00 -0.00 0.00 0.00 39.64 38.60 2crr n ILE 133 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2crr n ALA 134 N 0.72 2.47 -2.74 -1.39 0.00 -0.78 -4.66 120.51 114.12 2crr n ALA 134 Ca 0.33 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 2crr n ALA 134 Cb 0.32 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.79 4.31 -0.09 0.00 -1.09 -1.26 -4.95 121.20 116.34 2crr s ILE 135 Ca 0.00 -1.09 -0.13 0.00 -2.23 0.00 0.00 60.65 57.19 2crr s ILE 135 Cb 0.00 -4.91 0.03 0.00 -1.58 0.00 0.00 42.46 36.00 2crr s ILE 135 CO 0.00 -1.72 0.33 -0.44 -1.23 0.00 0.00 174.94 171.89 2crr s SER 136 N 4.26 -0.30 0.49 3.58 0.01 -1.26 -5.18 113.70 115.31 2crr s SER 136 Ca 0.39 0.46 0.08 0.00 1.31 0.00 0.00 55.95 58.19 2crr s SER 136 Cb -0.03 0.56 0.03 0.00 0.21 0.00 0.00 66.02 66.78 2crr s SER 136 CO -0.08 -0.25 0.52 -0.83 0.41 0.00 0.00 173.24 173.00 2crr s GLY 137 N -0.40 2.07 0.34 3.44 0.00 -1.26 -5.03 107.32 106.48 2crr s GLY 137 Ca -0.05 -1.76 0.13 0.00 0.00 0.00 0.00 44.72 43.04 2crr s GLY 137 CO 0.02 -1.73 1.75 -0.56 0.00 0.00 0.00 173.10 172.58 2crr h PRO 138 N 0.69 0.00 -6.11 2.90 0.13 -2.04 -3.43 132.00 124.14 2crr h PRO 138 Ca -0.37 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.20 2crr h PRO 138 Cb 1.28 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 2crr h PRO 138 CO 0.51 0.45 0.08 -1.54 -0.23 0.00 0.00 178.00 177.28 2crr s SER 139 N -6.81 7.04 -0.11 1.44 1.04 -1.26 -5.06 113.70 109.98 2crr s SER 139 Ca -0.02 1.25 0.02 0.00 0.48 0.00 0.00 55.95 57.68 2crr s SER 139 Cb 0.13 -2.42 0.01 0.00 0.10 0.00 0.00 66.02 63.85 2crr s SER 139 CO 0.73 -0.04 -0.19 -0.55 0.98 0.00 0.00 173.24 174.17 2crr s SER 140 N 0.38 2.69 0.00 7.02 0.15 -1.26 -5.16 113.70 117.52 2crr s SER 140 Ca 0.36 -0.49 0.26 0.00 0.70 0.00 0.00 55.95 56.78 2crr s SER 140 Cb -0.19 -1.23 1.54 0.00 -1.71 0.00 0.00 66.02 64.44 2crr s SER 140 CO 0.19 0.07 1.90 0.61 1.20 0.00 0.00 173.24 177.21