#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crr n SER 2 N 0.00 0.40 -4.48 1.61 2.88 -1.26 -5.07 113.62 107.70 2crr n SER 2 Ca 0.00 0.11 -0.42 0.00 -1.33 0.00 0.00 58.87 57.24 2crr n SER 2 Cb 0.00 -0.08 0.01 0.00 -0.75 0.00 0.00 64.21 63.39 2crr n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2crr n SER 3 N -3.19 -0.45 -2.55 -3.46 7.64 -1.26 -4.99 113.62 105.36 2crr n SER 3 Ca 0.00 0.94 -0.04 0.00 1.01 0.00 0.00 58.87 60.78 2crr n SER 3 Cb 0.19 -1.16 0.02 0.00 -1.01 0.00 0.00 64.21 62.25 2crr n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2crr n GLY 4 N 1.67 1.69 3.56 0.23 0.00 -1.26 -5.01 105.19 106.07 2crr n GLY 4 Ca 0.11 -2.11 -0.40 0.00 0.00 0.00 0.00 46.02 43.62 2crr n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2crr s SER 5 N -1.71 6.23 -0.66 1.61 1.04 -1.26 -4.95 113.70 114.00 2crr s SER 5 Ca 0.12 -1.00 -0.27 0.00 0.48 0.00 0.00 55.95 55.28 2crr s SER 5 Cb -0.01 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.56 2crr s SER 5 CO 0.08 -1.75 1.50 -0.94 0.98 0.00 0.00 173.24 173.10 2crr s SER 6 N 4.97 5.86 -0.12 7.02 1.04 -1.26 -4.95 113.70 126.27 2crr s SER 6 Ca 0.45 -0.05 -0.09 0.00 0.48 0.00 0.00 55.95 56.74 2crr s SER 6 Cb -0.04 -2.55 0.04 0.00 0.10 0.00 0.00 66.02 63.57 2crr s SER 6 CO -0.00 -1.99 0.30 -0.83 0.98 0.00 0.00 173.24 171.70 2crr s GLY 7 N 5.29 -0.22 -0.12 7.32 0.00 -1.26 -5.15 107.32 113.18 2crr s GLY 7 Ca 0.49 0.94 -0.05 0.00 0.00 0.00 0.00 44.72 46.10 2crr s GLY 7 CO 0.19 0.92 0.07 0.54 0.00 0.00 0.00 173.10 174.82 2crr s LYS 8 N 0.50 3.34 -0.32 2.90 1.02 -1.26 -5.02 119.74 120.90 2crr s LYS 8 Ca -0.03 -0.28 0.11 0.00 0.02 0.00 0.00 55.97 55.79 2crr s LYS 8 Cb -0.04 -3.03 0.46 0.00 -0.52 0.00 0.00 37.83 34.70 2crr s LYS 8 CO -0.03 0.67 1.14 0.00 -0.92 0.00 0.00 175.35 176.21 2crr n ALA 9 N 2.30 4.41 0.12 5.17 0.00 -1.26 -4.80 120.51 126.45 2crr n ALA 9 Ca -0.19 -3.64 -0.24 0.00 0.00 0.00 0.00 53.44 49.37 2crr n ALA 9 Cb 0.54 -0.53 -0.16 0.00 0.00 0.00 0.00 19.45 19.31 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 2.42 0.47 -0.08 0.00 7.50 -2.02 -3.34 115.11 120.07 2crr h GLN 10 Ca 0.21 -0.81 -0.20 0.00 0.50 0.00 0.00 58.65 58.36 2crr h GLN 10 Cb 1.32 0.30 -0.00 0.00 0.05 0.00 0.00 27.48 29.15 2crr h GLN 10 CO 0.64 1.39 -0.77 0.87 -1.50 0.00 0.00 178.83 179.45 2crr h LYS 11 N 0.03 0.47 -1.98 1.46 6.56 -2.05 -3.24 116.57 117.82 2crr h LYS 11 Ca -0.25 -0.40 -0.10 0.00 -1.06 0.00 0.00 60.65 58.84 2crr h LYS 11 Cb 2.05 0.09 -0.04 0.00 -0.57 0.00 0.00 32.23 33.77 2crr h LYS 11 CO 0.23 1.04 -0.12 -0.11 -2.06 0.00 0.00 179.45 178.43 2crr n LEU 12 N -3.84 5.39 -4.55 2.94 7.94 -1.25 -4.85 117.00 118.78 2crr n LEU 12 Ca -0.05 -2.79 -0.42 0.00 -1.11 0.00 0.00 56.01 51.63 2crr n LEU 12 Cb 0.74 -1.24 -0.03 0.00 0.53 0.00 0.00 43.42 43.41 2crr n LEU 12 CO 0.49 1.31 0.95 0.54 -1.11 0.00 0.00 177.39 179.57 2crr s ASN 13 N 1.88 6.35 -0.17 1.96 2.20 -1.23 -4.86 114.94 121.06 2crr s ASN 13 Ca 0.29 -0.22 -0.15 0.00 -0.94 0.00 0.00 52.86 51.84 2crr s ASN 13 Cb 0.15 -2.50 -0.06 0.00 -2.00 0.00 0.00 41.25 36.84 2crr s ASN 13 CO -0.01 -1.44 -0.26 -0.62 -2.94 0.00 0.00 177.10 171.84 2crr n GLU 14 N 8.17 0.51 -4.25 3.55 1.02 -1.26 -5.02 120.64 123.35 2crr n GLU 14 Ca 0.04 0.35 -0.21 0.00 -0.02 0.00 0.00 57.16 57.33 2crr n GLU 14 Cb 0.48 -1.55 -0.12 0.00 -0.02 0.00 0.00 31.44 30.23 2crr n GLU 14 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2crr s GLN 15 N -2.60 1.03 0.01 3.49 -2.07 -1.26 -5.08 119.66 113.18 2crr s GLN 15 Ca -0.24 -1.15 -0.14 0.00 -1.82 0.00 0.00 55.36 52.02 2crr s GLN 15 Cb 0.04 -1.13 -0.07 0.00 -1.09 0.00 0.00 33.01 30.76 2crr s GLN 15 CO 0.36 0.25 0.98 0.45 -1.32 0.00 0.00 175.29 176.01 2crr h HIS 16 N 3.93 -0.45 -0.54 9.60 3.86 -1.97 -2.43 115.15 127.15 2crr h HIS 16 Ca -0.43 -0.01 0.15 0.00 -1.16 0.00 0.00 60.37 58.92 2crr h HIS 16 Cb 1.19 0.15 -0.10 0.00 1.06 0.00 0.00 27.41 29.71 2crr h HIS 16 CO 0.64 -0.28 0.00 1.04 0.86 0.00 0.00 177.93 180.18 2crr n GLN 17 N -3.60 -0.04 0.03 2.45 1.13 -1.26 0.21 117.38 116.30 2crr n GLN 17 Ca -0.06 0.81 -0.13 0.00 -1.94 0.00 0.00 57.00 55.68 2crr n GLN 17 Cb 0.19 -1.28 -0.09 0.00 0.11 0.00 0.00 30.24 29.17 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 -0.07 -0.26 1.08 7.12 -1.99 -3.05 115.31 118.14 2crr h LEU 18 Ca 0.32 -0.30 0.06 0.00 0.13 0.00 0.00 57.88 58.10 2crr h LEU 18 Cb 0.65 0.02 -0.08 0.00 -0.53 0.00 0.00 40.66 40.72 2crr h LEU 18 CO -0.51 0.26 -0.32 0.40 -0.13 0.00 0.00 178.44 178.14 2crr h ILE 19 N -0.41 0.26 -0.85 4.05 2.04 0.29 -0.09 117.51 122.81 2crr h ILE 19 Ca -0.01 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.06 2crr h ILE 19 Cb 0.36 0.26 -0.13 0.00 -0.74 0.00 0.00 36.82 36.57 2crr h ILE 19 CO 0.01 0.00 0.26 -0.07 0.00 0.00 0.00 178.15 178.35 2crr h LEU 20 N -0.32 0.09 -0.44 1.44 3.38 -1.20 0.12 115.31 118.39 2crr h LEU 20 Ca 0.13 0.17 -0.07 0.00 0.09 0.00 0.00 57.88 58.20 2crr h LEU 20 Cb 0.54 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2crr h LEU 20 CO -0.44 -0.08 -0.01 -1.28 0.09 0.00 0.00 178.44 176.72 2crr h SER 21 N 0.28 0.76 -0.58 -0.43 0.87 -1.05 -3.07 113.55 110.33 2crr h SER 21 Ca 0.52 -0.31 0.12 0.00 -1.23 0.00 0.00 61.79 60.88 2crr h SER 21 Cb 0.98 -0.20 -0.09 0.00 -0.44 0.00 0.00 62.40 62.65 2crr h SER 21 CO -0.58 0.89 0.05 0.11 -0.53 0.00 0.00 176.83 176.77 2crr h LYS 22 N 0.61 0.17 -0.32 2.24 1.57 0.96 -0.24 116.57 121.56 2crr h LYS 22 Ca 0.12 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.95 2crr h LYS 22 Cb 0.50 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.72 2crr h LYS 22 CO 0.02 0.11 -0.02 -0.07 -0.57 0.00 0.00 179.45 178.92 2crr h LEU 23 N 0.17 -0.17 -1.93 2.94 3.38 -1.30 0.39 115.31 118.79 2crr h LEU 23 Ca 0.31 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.33 2crr h LEU 23 Cb 0.47 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2crr h LEU 23 CO -0.45 -0.05 -0.12 -0.07 0.09 0.00 0.00 178.44 177.84 2crr h LEU 24 N 0.07 0.00 -0.85 1.67 3.38 -1.22 -0.75 115.31 117.61 2crr h LEU 24 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2crr h LEU 24 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2crr h LEU 24 CO -0.28 0.12 -0.20 0.54 0.09 0.00 0.00 178.44 178.71 2crr n ARG 25 N -3.90 1.28 -0.57 1.13 1.74 -0.09 -3.95 116.66 112.30 2crr n ARG 25 Ca -0.02 -0.85 -0.10 0.00 -0.77 0.00 0.00 57.85 56.10 2crr n ARG 25 Cb 0.21 -1.48 0.09 0.00 -1.02 0.00 0.00 32.46 30.26 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 -0.12 1.67 -4.18 5.56 -0.58 0.12 -4.85 120.64 118.26 2crr n GLU 26 Ca 0.14 -1.42 -0.36 0.00 -0.42 0.00 0.00 57.16 55.10 2crr n GLU 26 Cb 0.40 -1.58 -0.05 0.00 -0.57 0.00 0.00 31.44 29.64 2crr n GLU 26 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2crr n GLU 27 N -0.24 -1.68 0.00 3.49 1.02 -1.26 -4.72 120.64 117.25 2crr n GLU 27 Ca 0.27 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 2crr n GLU 27 Cb 1.03 -4.82 0.00 0.00 -0.02 0.00 0.00 31.44 27.64 2crr n GLU 27 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2crr n ASP 28 N -2.39 1.63 -1.30 1.62 8.00 -1.25 -4.80 116.55 118.06 2crr n ASP 28 Ca 0.09 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.52 2crr n ASP 28 Cb 0.47 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.76 2crr n ASP 28 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2crr n ASN 29 N -2.60 2.72 0.21 -2.24 3.02 -1.23 -4.19 115.26 110.95 2crr n ASN 29 Ca 0.00 -3.79 0.15 0.00 -0.03 0.00 0.00 54.58 50.91 2crr n ASN 29 Cb 0.40 -0.65 0.65 0.00 -0.61 0.00 0.00 39.78 39.57 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 1.06 0.00 -4.22 3.52 1.57 -1.85 -3.43 116.57 113.22 2crr h LYS 30 Ca 0.27 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.82 2crr h LYS 30 Cb 1.72 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.81 2crr h LYS 30 CO 0.48 0.00 -0.72 0.71 -0.57 0.00 0.00 179.45 179.35 2crr s TYR 31 N -3.56 0.43 0.45 -1.35 1.51 -1.26 -3.54 117.35 110.03 2crr s TYR 31 Ca 0.01 -0.47 -0.20 0.00 -1.01 0.00 0.00 57.07 55.40 2crr s TYR 31 Cb 0.09 -0.27 -0.14 0.00 -0.11 0.00 0.00 41.96 41.53 2crr s TYR 31 CO 0.43 -0.13 0.13 0.00 -1.11 0.00 0.00 175.55 174.88 2crr n ALA 33 N -1.21 2.54 0.06 0.00 0.00 -0.61 -2.06 120.51 119.22 2crr n ALA 33 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2crr n ALA 33 Cb 0.43 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.57 0.06 -0.93 0.00 8.00 -1.26 -4.86 116.55 116.99 2crr n ASP 34 Ca 0.05 0.19 0.07 0.00 0.71 0.00 0.00 54.79 55.81 2crr n ASP 34 Cb 0.03 0.10 0.21 0.00 -0.02 0.00 0.00 41.12 41.45 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 0.83 -0.91 -1.02 0.00 -0.58 -0.88 -4.77 120.64 113.31 2crr n GLU 36 Ca 0.16 0.08 -0.31 0.00 -0.42 0.00 0.00 57.16 56.67 2crr n GLU 36 Cb 0.45 -2.90 0.12 0.00 -0.57 0.00 0.00 31.44 28.54 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 -3.71 1.92 -0.59 0.62 0.00 -1.26 -4.36 121.76 114.38 2crr s ALA 37 Ca 0.16 0.40 -0.22 0.00 0.00 0.00 0.00 51.96 52.29 2crr s ALA 37 Cb -0.09 -3.35 0.06 0.00 0.00 0.00 0.00 23.12 19.74 2crr s ALA 37 CO 0.76 -2.19 0.88 0.15 0.00 0.00 0.00 175.76 175.35 2crr s LYS 38 N -4.80 3.18 0.00 0.00 1.02 -1.26 -2.68 119.74 115.20 2crr s LYS 38 Ca 0.63 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.93 2crr s LYS 38 Cb -0.19 -4.15 0.00 0.00 -0.52 0.00 0.00 37.83 32.96 2crr s LYS 38 CO 0.57 -1.59 0.00 0.41 -0.92 0.00 0.00 175.35 173.82 2crr n GLY 39 N 5.23 0.83 3.58 -3.33 0.00 -1.23 -4.99 105.19 105.28 2crr n GLY 39 Ca -0.03 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.44 2.50 0.00 1.61 0.04 -1.26 -4.81 135.00 131.64 2crr s PRO 40 Ca 0.00 -1.09 0.00 0.00 0.04 0.00 0.00 61.00 59.95 2crr s PRO 40 Cb 0.00 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.31 2crr s PRO 40 CO 0.00 -3.93 0.72 -2.13 0.04 0.00 0.00 177.00 171.70 2crr n ARG 41 N 8.34 0.00 -0.74 4.56 0.00 -1.25 -4.59 116.66 122.97 2crr n ARG 41 Ca 0.44 0.32 -0.33 0.00 -0.00 0.00 0.00 57.85 58.28 2crr n ARG 41 Cb 0.47 -1.26 0.14 0.00 0.00 0.00 0.00 32.46 31.81 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 -1.46 -1.54 -3.63 -0.14 7.02 -1.15 -4.63 117.44 111.91 2crr n TRP 42 Ca 0.00 0.20 -0.13 0.00 -1.02 0.00 0.00 57.50 56.56 2crr n TRP 42 Cb 0.00 -1.58 -0.07 0.00 -2.42 0.00 0.00 31.31 27.24 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 -2.23 -1.83 -0.47 6.99 0.00 -1.25 -2.01 121.76 120.96 2crr s ALA 43 Ca 0.54 1.97 -0.16 0.00 0.00 0.00 0.00 51.96 54.30 2crr s ALA 43 Cb -0.11 -1.23 0.06 0.00 0.00 0.00 0.00 23.12 21.84 2crr s ALA 43 CO 0.67 -0.31 0.43 0.45 0.00 0.00 0.00 175.76 177.00 2crr s SER 44 N 0.30 6.16 0.02 0.00 0.15 0.37 -3.95 113.70 116.76 2crr s SER 44 Ca 0.01 -1.14 -0.27 0.00 0.70 0.00 0.00 55.95 55.25 2crr s SER 44 Cb -0.05 -2.20 -0.16 0.00 -1.71 0.00 0.00 66.02 61.89 2crr s SER 44 CO -0.01 -0.66 1.28 4.11 1.20 0.00 0.00 173.24 179.16 2crr h TRP 45 N 8.78 -0.58 -0.71 3.44 5.08 -1.82 0.45 115.95 130.59 2crr h TRP 45 Ca -0.28 -0.01 0.29 0.00 1.08 0.00 0.00 58.89 59.97 2crr h TRP 45 Cb 1.11 0.19 -0.12 0.00 -3.00 0.00 0.00 29.16 27.34 2crr h TRP 45 CO 0.65 -0.26 0.39 0.27 -1.28 0.00 0.00 178.44 178.21 2crr n ASN 46 N -5.26 0.23 -0.06 0.11 6.94 -1.26 0.72 115.26 116.67 2crr n ASN 46 Ca -0.11 1.12 -0.20 0.00 -0.02 0.00 0.00 54.58 55.37 2crr n ASN 46 Cb 0.30 -0.55 -0.13 0.00 -2.36 0.00 0.00 39.78 37.05 2crr n ASN 46 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2crr n ILE 47 N -4.50 1.63 -0.28 1.53 5.41 -1.15 -5.03 119.36 116.98 2crr n ILE 47 Ca 0.26 -0.59 0.00 0.00 1.00 0.00 0.00 62.75 63.43 2crr n ILE 47 Cb 0.90 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 38.22 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 2.07 1.66 3.01 7.39 0.00 0.22 -4.74 105.19 114.80 2crr n GLY 48 Ca -0.39 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.02 0.39 -0.01 1.61 -7.23 -0.84 0.23 120.40 112.53 2crr s VAL 49 Ca 0.00 -0.75 -0.22 0.00 -1.81 0.00 0.00 61.98 59.19 2crr s VAL 49 Cb 0.00 -0.44 -0.05 0.00 0.56 0.00 0.00 36.38 36.45 2crr s VAL 49 CO 0.00 -0.25 0.66 -0.36 -0.31 0.00 0.00 175.10 174.84 2crr s PHE 50 N -0.97 3.66 0.26 2.82 0.40 -1.26 -0.48 117.98 122.42 2crr s PHE 50 Ca -0.07 1.27 0.02 0.00 -0.60 0.00 0.00 56.93 57.55 2crr s PHE 50 Cb -0.07 -2.71 -0.05 0.00 0.51 0.00 0.00 43.02 40.69 2crr s PHE 50 CO -0.00 0.26 0.08 0.96 0.70 0.00 0.00 175.22 177.22 2crr s ILE 51 N 0.13 0.70 0.87 0.64 -4.36 -0.85 -1.58 121.20 116.75 2crr s ILE 51 Ca 0.34 -2.00 -0.09 0.00 -0.26 0.00 0.00 60.65 58.64 2crr s ILE 51 Cb -0.19 -2.63 0.18 0.00 1.25 0.00 0.00 42.46 41.08 2crr s ILE 51 CO 0.19 -0.04 1.19 0.00 0.24 0.00 0.00 174.94 176.52 2crr h ILE 53 N -1.20 1.33 0.42 0.00 2.10 -1.93 -2.43 117.51 115.79 2crr h ILE 53 Ca -0.40 -1.76 -0.02 0.00 1.08 0.00 0.00 64.86 63.76 2crr h ILE 53 Cb 1.24 1.77 0.00 0.00 -1.09 0.00 0.00 36.82 38.74 2crr h ILE 53 CO 0.36 0.54 -0.21 -0.09 -1.08 0.00 0.00 178.15 177.67 2crr h ARG 54 N 0.36 -0.55 -0.65 2.19 1.12 -2.01 -2.66 114.38 112.17 2crr h ARG 54 Ca 0.01 0.04 0.10 0.00 -1.11 0.00 0.00 59.98 59.02 2crr h ARG 54 Cb 1.03 0.13 -0.08 0.00 -0.01 0.00 0.00 29.97 31.04 2crr h ARG 54 CO 0.09 -0.37 0.26 0.00 -3.11 0.00 0.00 179.97 176.84 2crr h ALA 56 N 1.45 0.25 -1.00 0.00 0.00 -1.38 0.36 119.26 118.94 2crr h ALA 56 Ca 0.33 0.25 0.22 0.00 0.00 0.00 0.00 54.91 55.71 2crr h ALA 56 Cb 0.43 0.73 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 2crr h ALA 56 CO -0.32 -0.54 0.62 0.78 0.00 0.00 0.00 179.25 179.78 2crr h GLY 57 N -0.06 1.63 1.29 0.00 0.00 -1.02 0.17 103.07 105.07 2crr h GLY 57 Ca 0.32 -0.31 -0.21 0.00 0.00 0.00 0.00 47.33 47.13 2crr h GLY 57 CO -0.78 -0.11 -0.73 -2.22 0.00 0.00 0.00 176.54 172.70 2crr h ILE 58 N 0.63 1.30 -0.28 2.60 5.03 -0.37 -3.26 117.51 123.15 2crr h ILE 58 Ca 0.59 -1.97 0.05 0.00 -0.12 0.00 0.00 64.86 63.40 2crr h ILE 58 Cb 1.10 1.96 -0.05 0.00 -3.03 0.00 0.00 36.82 36.80 2crr h ILE 58 CO -0.37 0.62 -0.02 0.45 -0.68 0.00 0.00 178.15 178.15 2crr h HIS 59 N 0.49 -0.06 -0.66 1.37 3.86 0.51 -2.21 115.15 118.45 2crr h HIS 59 Ca -0.04 0.02 0.14 0.00 -1.16 0.00 0.00 60.37 59.33 2crr h HIS 59 Cb 1.34 0.07 -0.11 0.00 1.06 0.00 0.00 27.41 29.78 2crr h HIS 59 CO 0.07 -0.07 0.03 0.00 0.86 0.00 0.00 177.93 178.82 2crr h ARG 60 N 0.05 0.14 -0.58 2.45 3.08 -1.44 -0.79 114.38 117.29 2crr h ARG 60 Ca 0.13 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.29 2crr h ARG 60 Cb 0.19 -0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.10 2crr h ARG 60 CO -0.25 0.09 -0.13 -0.91 -1.07 0.00 0.00 179.97 177.71 2crr h ASN 61 N 0.14 -0.51 -0.88 7.04 2.35 -1.47 -1.61 115.58 120.66 2crr h ASN 61 Ca 0.35 0.17 0.13 0.00 -0.55 0.00 0.00 56.30 56.41 2crr h ASN 61 Cb 0.58 0.35 -0.14 0.00 0.05 0.00 0.00 38.32 39.16 2crr h ASN 61 CO -0.54 -0.18 -0.35 0.18 -1.65 0.00 0.00 177.43 174.89 2crr n LEU 62 N -5.39 -0.58 0.00 1.61 4.77 -0.30 -4.87 117.00 112.24 2crr n LEU 62 Ca 0.07 1.53 0.00 0.00 -0.03 0.00 0.00 56.01 57.58 2crr n LEU 62 Cb 0.31 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2crr n LEU 62 CO 0.07 -1.37 0.00 0.61 -1.33 0.00 0.00 177.39 175.37 2crr n GLY 63 N -1.41 4.67 0.10 -0.72 0.00 -0.60 -4.72 105.19 102.51 2crr n GLY 63 Ca 0.09 -1.14 0.06 0.00 0.00 0.00 0.00 46.02 45.03 2crr n GLY 63 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2crr n VAL 64 N -1.74 1.20 -0.01 1.61 0.24 -1.26 -0.20 118.33 118.16 2crr n VAL 64 Ca 0.00 0.65 -0.05 0.00 -2.04 0.00 0.00 64.34 62.90 2crr n VAL 64 Cb 0.00 -1.65 -0.12 0.00 -1.47 0.00 0.00 33.84 30.60 2crr n VAL 64 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2crr n HIS 65 N -1.90 0.86 -0.07 6.34 -0.00 -1.26 -4.42 115.22 114.77 2crr n HIS 65 Ca -0.01 0.30 -0.21 0.00 -0.00 0.00 0.00 57.72 57.80 2crr n HIS 65 Cb 0.11 -1.12 -0.12 0.00 -0.00 0.00 0.00 29.99 28.86 2crr n HIS 65 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 2crr h ILE 66 N 0.00 0.90 -1.79 0.61 2.04 -0.87 -3.49 117.51 114.92 2crr h ILE 66 Ca -0.27 -2.25 0.05 0.00 1.00 0.00 0.00 64.86 63.39 2crr h ILE 66 Cb 1.88 2.38 -0.24 0.00 -0.74 0.00 0.00 36.82 40.10 2crr h ILE 66 CO 0.06 0.50 0.22 -0.94 0.00 0.00 0.00 178.15 177.98 2crr s SER 67 N -6.89 -0.70 -0.17 1.72 1.04 0.23 -4.94 113.70 103.99 2crr s SER 67 Ca -0.26 1.18 -0.04 0.00 0.48 0.00 0.00 55.95 57.31 2crr s SER 67 Cb 0.06 1.27 -0.02 0.00 0.10 0.00 0.00 66.02 67.42 2crr s SER 67 CO 0.65 -0.19 -0.04 -0.13 0.98 0.00 0.00 173.24 174.52 2crr s ARG 68 N 1.18 3.59 -0.10 4.02 0.52 -1.26 -4.24 118.95 122.67 2crr s ARG 68 Ca -0.07 -0.55 -0.08 0.00 -0.52 0.00 0.00 55.73 54.52 2crr s ARG 68 Cb -0.05 -2.94 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 2crr s ARG 68 CO -0.14 0.12 0.18 0.08 0.02 0.00 0.00 175.30 175.56 2crr s VAL 69 N 0.67 5.45 -0.23 3.52 1.01 -1.26 -4.20 120.40 125.36 2crr s VAL 69 Ca -0.02 0.26 -0.27 0.00 0.00 0.00 0.00 61.98 61.95 2crr s VAL 69 Cb -0.14 -3.45 0.12 0.00 0.00 0.00 0.00 36.38 32.91 2crr s VAL 69 CO 0.02 0.59 0.97 -1.59 0.00 0.00 0.00 175.10 175.10 2crr s LYS 70 N -1.11 0.59 1.02 2.72 -2.85 -1.25 -5.04 119.74 113.82 2crr s LYS 70 Ca 0.17 0.49 -0.14 0.00 -1.00 0.00 0.00 55.97 55.49 2crr s LYS 70 Cb -0.13 0.28 0.10 0.00 -2.06 0.00 0.00 37.83 36.03 2crr s LYS 70 CO 0.06 -0.11 0.42 0.45 0.10 0.00 0.00 175.35 176.27 2crr n SER 71 N 1.77 -1.88 -0.01 0.03 2.88 -1.26 -3.76 113.62 111.38 2crr n SER 71 Ca -0.12 0.14 -0.22 0.00 -1.33 0.00 0.00 58.87 57.34 2crr n SER 71 Cb 0.56 -1.16 -0.14 0.00 -0.75 0.00 0.00 64.21 62.73 2crr n SER 71 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2crr h VAL 72 N -1.88 0.71 0.00 2.46 2.07 -1.86 -3.37 116.25 114.39 2crr h VAL 72 Ca -0.49 -2.32 -0.15 0.00 0.82 0.00 0.00 66.70 64.57 2crr h VAL 72 Cb 1.31 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 33.54 2crr h VAL 72 CO 0.38 0.78 -1.40 -3.20 0.02 0.00 0.00 177.57 174.15 2crr n ASN 73 N -3.69 1.78 -0.36 0.57 5.15 -1.26 -4.53 115.26 112.92 2crr n ASN 73 Ca -0.31 0.30 0.28 0.00 -0.60 0.00 0.00 54.58 54.25 2crr n ASN 73 Cb 0.97 -0.69 0.54 0.00 -0.53 0.00 0.00 39.78 40.07 2crr n ASN 73 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2crr h LEU 74 N -0.87 0.42-10.32 1.20 3.38 -1.99 -3.40 115.31 103.73 2crr h LEU 74 Ca -0.22 0.16 -0.46 0.00 0.09 0.00 0.00 57.88 57.46 2crr h LEU 74 Cb 1.11 0.12 0.02 0.00 0.09 0.00 0.00 40.66 42.00 2crr h LEU 74 CO -0.13 -0.14 -0.16 -1.81 0.09 0.00 0.00 178.44 176.29 2crr s ASP 75 N -4.81 5.97 -0.01 -0.43 1.11 -1.26 -5.03 116.67 112.21 2crr s ASP 75 Ca -0.09 0.24 -0.09 0.00 0.18 0.00 0.00 52.55 52.79 2crr s ASP 75 Cb 0.30 -1.60 -0.05 0.00 1.07 0.00 0.00 42.92 42.64 2crr s ASP 75 CO 0.80 -0.55 0.30 0.00 1.18 0.00 0.00 175.17 176.89 2crr s GLN 76 N -4.43 3.66 0.26 8.23 -2.07 -1.26 -4.79 119.66 119.27 2crr s GLN 76 Ca 0.46 0.08 0.07 0.00 -1.82 0.00 0.00 55.36 54.14 2crr s GLN 76 Cb -0.10 -3.13 -0.05 0.00 -1.09 0.00 0.00 33.01 28.64 2crr s GLN 76 CO 0.36 0.68 -0.07 -1.58 -1.32 0.00 0.00 175.29 173.35 2crr s TRP 77 N -1.19 1.87 -0.01 9.60 0.52 -1.26 -5.11 118.94 123.36 2crr s TRP 77 Ca 0.24 -0.69 0.06 0.00 0.02 0.00 0.00 56.10 55.74 2crr s TRP 77 Cb -0.14 -1.03 -0.02 0.00 -1.15 0.00 0.00 33.47 31.14 2crr s TRP 77 CO 0.13 0.28 -0.18 0.95 0.02 0.00 0.00 176.95 178.14 2crr s THR 78 N -3.03 1.45 0.28 2.01 -4.23 -1.26 -5.02 115.64 105.83 2crr s THR 78 Ca 0.28 -0.82 0.02 0.00 -1.18 0.00 0.00 61.69 60.00 2crr s THR 78 Cb 0.03 -1.21 0.37 0.00 1.34 0.00 0.00 72.50 73.03 2crr s THR 78 CO 0.11 0.38 1.39 0.00 -0.54 0.00 0.00 174.62 175.96 2crr n ALA 79 N 2.55 0.47 -0.11 3.99 0.00 -1.26 0.88 120.51 127.04 2crr n ALA 79 Ca -0.15 0.95 -0.05 0.00 0.00 0.00 0.00 53.44 54.19 2crr n ALA 79 Cb 0.54 -0.70 0.01 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.02 -0.47 0.00 4.81 -2.02 -1.49 114.58 115.39 2crr h GLU 80 Ca 0.55 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.66 2crr h GLU 80 Cb 1.14 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 2crr h GLU 80 CO -0.83 -0.01 -0.18 1.96 -0.73 0.00 0.00 179.01 179.22 2crr h GLN 81 N -0.02 0.93 -0.17 1.92 1.08 0.09 -3.21 115.11 115.73 2crr h GLN 81 Ca 0.18 -0.37 0.05 0.00 -1.45 0.00 0.00 58.65 57.07 2crr h GLN 81 Cb 0.30 -0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 27.61 2crr h GLN 81 CO -0.40 1.02 -0.34 0.82 -0.95 0.00 0.00 178.83 178.98 2crr h ILE 82 N 0.81 0.25 -0.94 2.54 1.08 -0.01 -2.11 117.51 119.13 2crr h ILE 82 Ca 0.12 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.74 2crr h ILE 82 Cb 0.73 0.25 -0.16 0.00 -3.07 0.00 0.00 36.82 34.57 2crr h ILE 82 CO 0.06 0.00 -0.34 1.67 -0.69 0.00 0.00 178.15 178.85 2crr n GLN 83 N -5.42 -0.19 -0.08 2.37 -0.06 -0.75 -0.47 117.38 112.78 2crr n GLN 83 Ca -0.03 1.45 -0.13 0.00 -2.00 0.00 0.00 57.00 56.29 2crr n GLN 83 Cb 0.34 -2.15 -0.08 0.00 -4.06 0.00 0.00 30.24 24.28 2crr n GLN 83 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2crr n MET 85 N -5.41 -0.06 -0.02 0.00 2.81 0.38 0.29 117.12 115.10 2crr n MET 85 Ca -0.04 1.22 -0.16 0.00 -1.81 0.00 0.00 57.70 56.92 2crr n MET 85 Cb 0.36 -2.01 -0.13 0.00 -0.71 0.00 0.00 33.22 30.74 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 0.14 -0.62 0.03 7.50 -0.94 0.37 115.11 121.59 2crr h GLN 86 Ca 0.56 -0.20 0.18 0.00 0.50 0.00 0.00 58.65 59.69 2crr h GLN 86 Cb 1.26 0.07 -0.02 0.00 0.05 0.00 0.00 27.48 28.84 2crr h GLN 86 CO -0.75 1.03 0.48 -0.44 -1.50 0.00 0.00 178.83 177.65 2crr h ASP 87 N -0.65 0.00 0.00 1.46 5.19 0.31 -3.33 116.42 119.40 2crr h ASP 87 Ca -0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 2crr h ASP 87 Cb 1.16 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.67 2crr h ASP 87 CO 0.06 0.00 0.00 0.80 -3.12 0.00 0.00 179.24 176.98 2crr n MET 88 N -4.18 0.00 -1.17 3.56 1.56 0.14 -4.95 117.12 112.09 2crr n MET 88 Ca 0.12 0.00 0.13 0.00 -0.27 0.00 0.00 57.70 57.68 2crr n MET 88 Cb 0.72 -0.14 -0.05 0.00 2.15 0.00 0.00 33.22 35.90 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 2.72 -1.82 0.29 -5.12 0.00 0.63 -3.08 105.19 98.81 2crr n GLY 89 Ca 0.00 -0.76 -0.06 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.26 0.88 0.00 1.61 -0.26 -1.78 -2.12 115.58 112.66 2crr h ASN 90 Ca -0.05 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.58 2crr h ASN 90 Cb 1.27 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 38.30 2crr h ASN 90 CO 0.03 0.74 0.00 0.41 -1.06 0.00 0.00 177.43 177.55 2crr n THR 91 N -4.48 0.00 -0.06 2.81 -1.04 -1.26 -0.90 114.28 109.35 2crr n THR 91 Ca 0.06 1.40 -0.09 0.00 -2.04 0.00 0.00 64.05 63.37 2crr n THR 91 Cb 0.10 -1.91 -0.02 0.00 -1.82 0.00 0.00 70.33 66.68 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 0.30 -0.93 -2.82 6.56 -1.58 -2.75 116.57 115.34 2crr h LYS 92 Ca 0.00 -0.02 0.22 0.00 -1.06 0.00 0.00 60.65 59.79 2crr h LYS 92 Cb 0.00 -0.07 -0.18 0.00 -0.57 0.00 0.00 32.23 31.42 2crr h LYS 92 CO 0.00 0.20 -0.13 0.00 -2.06 0.00 0.00 179.45 177.46 2crr n ALA 93 N -2.18 0.33 -0.20 3.86 0.00 -0.76 0.14 120.51 121.69 2crr n ALA 93 Ca -0.02 1.01 -0.10 0.00 0.00 0.00 0.00 53.44 54.34 2crr n ALA 93 Cb 0.04 -0.66 0.02 0.00 0.00 0.00 0.00 19.45 18.85 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 1.05 0.00 0.00 2.43 -0.73 0.62 114.38 117.75 2crr h ARG 94 Ca 0.50 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2crr h ARG 94 Cb 0.88 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 2crr h ARG 94 CO -0.93 1.06 0.00 1.28 -1.51 0.00 0.00 179.97 179.88 2crr n LEU 95 N -4.17 0.00 0.00 3.80 4.77 0.36 -2.34 117.00 119.42 2crr n LEU 95 Ca 0.02 0.09 -0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2crr n LEU 95 Cb 0.38 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2crr n LEU 95 CO 0.45 -0.01 -0.00 -0.11 -1.33 0.00 0.00 177.39 176.39 2crr n LEU 96 N -1.09 0.03 -0.03 2.23 -0.00 0.21 -4.62 117.00 113.73 2crr n LEU 96 Ca 0.19 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 56.07 2crr n LEU 96 Cb 0.14 -0.14 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 2crr n LEU 96 CO 0.18 -0.50 0.60 1.88 -0.00 0.00 0.00 177.39 179.55 2crr h TYR 97 N -0.01 0.17 -0.16 1.96 0.05 0.05 -3.08 116.97 115.95 2crr h TYR 97 Ca 0.00 -0.06 -0.10 0.00 0.05 0.00 0.00 58.73 58.63 2crr h TYR 97 Cb 0.01 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 37.66 2crr h TYR 97 CO -0.00 0.62 0.12 -1.91 -1.05 0.00 0.00 178.16 175.94 2crr n GLU 98 N -4.72 1.24 -0.06 4.88 2.13 -0.99 -3.63 120.64 119.49 2crr n GLU 98 Ca -0.08 -0.51 -0.08 0.00 0.66 0.00 0.00 57.16 57.16 2crr n GLU 98 Cb 0.31 -1.20 -0.06 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 0.68 1.74 0.17 4.31 0.00 -1.15 -4.53 120.51 121.72 2crr n ALA 99 Ca 0.10 -0.55 0.02 0.00 0.00 0.00 0.00 53.44 53.00 2crr n ALA 99 Cb 0.61 0.17 0.17 0.00 0.00 0.00 0.00 19.45 20.40 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 -2.74 3.08 -4.80 0.00 3.02 -1.24 -4.93 115.26 107.65 2crr n ASN 100 Ca -0.20 -2.43 -0.33 0.00 -0.03 0.00 0.00 54.58 51.59 2crr n ASN 100 Cb 0.75 -0.59 0.01 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 -1.21 3.50 0.56 3.41 1.43 -1.26 -4.64 118.68 120.47 2crr s LEU 101 Ca 0.24 1.81 -0.19 0.00 -1.03 0.00 0.00 54.13 54.96 2crr s LEU 101 Cb 0.18 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.82 2crr s LEU 101 CO 0.07 -1.16 1.13 -2.16 0.23 0.00 0.00 176.35 174.45 2crr s PRO 102 N -4.08 3.26 0.54 1.29 0.04 -1.26 -4.91 135.00 129.87 2crr s PRO 102 Ca 0.63 1.57 0.25 0.00 0.04 0.00 0.00 61.00 63.49 2crr s PRO 102 Cb -0.16 -2.00 1.41 0.00 0.04 0.00 0.00 34.50 33.80 2crr s PRO 102 CO 0.37 -0.91 2.02 1.49 0.04 0.00 0.00 177.00 180.01 2crr h GLU 103 N 1.00 0.00 -1.03 4.56 4.81 -2.00 -0.99 114.58 120.93 2crr h GLU 103 Ca -0.49 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.13 2crr h GLU 103 Cb 1.26 0.00 -0.38 0.00 0.63 0.00 0.00 28.75 30.26 2crr h GLU 103 CO 0.56 0.00 -0.18 0.27 -0.73 0.00 0.00 179.01 178.93 2crr n ASN 104 N -4.30 5.89 -4.76 1.04 0.23 -1.26 -5.05 115.26 107.05 2crr n ASN 104 Ca 0.07 -3.76 -0.39 0.00 -0.53 0.00 0.00 54.58 49.97 2crr n ASN 104 Cb 0.51 -0.59 0.01 0.00 -2.08 0.00 0.00 39.78 37.62 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 -3.69 2.60 -0.31 -2.53 5.36 -0.38 -5.01 117.98 114.01 2crr s PHE 105 Ca 0.55 1.39 -0.01 0.00 -0.96 0.00 0.00 56.93 57.90 2crr s PHE 105 Cb 0.44 -3.70 0.10 0.00 -0.34 0.00 0.00 43.02 39.52 2crr s PHE 105 CO -0.04 -2.39 0.11 0.50 -1.46 0.00 0.00 175.22 171.93 2crr s ARG 106 N -2.57 0.64 -0.15 10.12 6.06 -1.26 -5.05 118.95 126.75 2crr s ARG 106 Ca 0.63 -1.01 -0.39 0.00 -2.50 0.00 0.00 55.73 52.47 2crr s ARG 106 Cb -0.38 -1.86 -0.16 0.00 0.06 0.00 0.00 34.95 32.62 2crr s ARG 106 CO 0.47 -1.00 1.64 -2.13 -2.50 0.00 0.00 175.30 171.78 2crr n ARG 107 N 4.87 1.27 -2.24 5.12 0.63 -1.26 -4.89 116.66 120.17 2crr n ARG 107 Ca -0.02 0.46 -0.41 0.00 -0.92 0.00 0.00 57.85 56.96 2crr n ARG 107 Cb 0.42 -2.15 -0.03 0.00 0.45 0.00 0.00 32.46 31.15 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 2.65 4.43 -0.22 -0.14 0.04 -1.26 -4.95 135.00 135.54 2crr s PRO 108 Ca 0.93 2.05 0.04 0.00 0.04 0.00 0.00 61.00 64.06 2crr s PRO 108 Cb -0.99 -3.16 -0.16 0.00 0.04 0.00 0.00 34.50 30.22 2crr s PRO 108 CO 0.58 -0.15 -0.17 1.04 0.04 0.00 0.00 177.00 178.34 2crr n GLN 109 N 1.87 0.64 -2.99 4.56 1.13 -1.26 -4.71 117.38 116.62 2crr n GLN 109 Ca 0.03 0.11 -0.31 0.00 -1.94 0.00 0.00 57.00 54.89 2crr n GLN 109 Cb 0.43 -1.46 -0.04 0.00 0.11 0.00 0.00 30.24 29.27 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 -2.46 4.76 0.16 5.09 -4.23 -1.26 -4.93 115.64 112.76 2crr s THR 110 Ca -0.28 0.73 -0.16 0.00 -1.18 0.00 0.00 61.69 60.80 2crr s THR 110 Cb 0.08 -3.68 0.02 0.00 1.34 0.00 0.00 72.50 70.26 2crr s THR 110 CO 0.56 -0.37 1.82 -0.78 -0.54 0.00 0.00 174.62 175.30 2crr h ASP 111 N 1.69 0.48 -1.40 3.99 1.82 -1.98 -1.71 116.42 119.31 2crr h ASP 111 Ca -0.47 -0.01 0.47 0.00 -0.39 0.00 0.00 57.03 56.63 2crr h ASP 111 Cb 1.18 -0.12 -0.13 0.00 0.68 0.00 0.00 39.33 40.95 2crr h ASP 111 CO 0.65 0.35 0.91 0.00 -1.61 0.00 0.00 179.24 179.54 2crr n GLN 112 N -4.80 -0.03 -0.04 0.28 10.64 -1.26 -0.73 117.38 121.45 2crr n GLN 112 Ca 0.01 1.18 -0.03 0.00 -1.83 0.00 0.00 57.00 56.33 2crr n GLN 112 Cb 0.03 -2.37 -0.01 0.00 -0.86 0.00 0.00 30.24 27.02 2crr n GLN 112 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2crr n ALA 113 N -2.57 0.28 -0.29 2.61 0.00 -0.90 -4.32 120.51 115.32 2crr n ALA 113 Ca 0.39 -0.35 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 2crr n ALA 113 Cb 1.56 0.01 0.03 0.00 0.00 0.00 0.00 19.45 21.05 2crr n ALA 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2crr n VAL 114 N -3.37 -0.39 -0.30 0.00 0.31 -0.70 0.12 118.33 114.00 2crr n VAL 114 Ca -0.04 1.75 0.07 0.00 -0.01 0.00 0.00 64.34 66.11 2crr n VAL 114 Cb 0.16 -2.32 0.18 0.00 -0.91 0.00 0.00 33.84 30.95 2crr n VAL 114 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2crr h GLU 115 N 0.00 0.04 0.04 5.55 4.22 -1.16 0.79 114.58 124.05 2crr h GLU 115 Ca 0.26 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.70 2crr h GLU 115 Cb 0.45 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2crr h GLU 115 CO -0.74 0.02 -0.02 0.74 -2.18 0.00 0.00 179.01 176.83 2crr h PHE 116 N 0.04 -0.05 -0.93 0.92 0.04 0.79 -2.87 116.94 114.88 2crr h PHE 116 Ca 0.47 -0.00 0.26 0.00 2.80 0.00 0.00 57.97 61.50 2crr h PHE 116 Cb 0.84 0.02 -0.16 0.00 2.20 0.00 0.00 35.95 38.84 2crr h PHE 116 CO -0.55 0.60 0.11 0.35 -0.60 0.00 0.00 178.31 178.22 2crr h PHE 117 N -0.82 0.11 -0.30 -0.55 3.57 0.29 0.76 116.94 119.99 2crr h PHE 117 Ca -0.01 0.06 -0.15 0.00 3.53 0.00 0.00 57.97 61.40 2crr h PHE 117 Cb 0.68 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 2crr h PHE 117 CO 0.16 -0.35 -0.42 0.82 -2.23 0.00 0.00 178.31 176.29 2crr h ILE 118 N 0.07 1.29 0.72 1.41 2.04 -0.97 -1.44 117.51 120.63 2crr h ILE 118 Ca 0.58 -1.61 -0.04 0.00 1.00 0.00 0.00 64.86 64.80 2crr h ILE 118 Cb 1.19 1.51 0.01 0.00 -0.74 0.00 0.00 36.82 38.78 2crr h ILE 118 CO -0.81 0.52 -0.35 0.03 0.00 0.00 0.00 178.15 177.55 2crr h ARG 119 N 0.61 -0.93 0.00 2.37 3.08 0.55 0.13 114.38 120.20 2crr h ARG 119 Ca 0.04 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2crr h ARG 119 Cb 0.98 0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2crr h ARG 119 CO 0.09 -0.61 0.00 -0.25 -1.07 0.00 0.00 179.97 178.13 2crr n ASP 120 N -5.42 0.17 -0.03 7.04 9.92 0.11 0.24 116.55 128.59 2crr n ASP 120 Ca -0.12 0.56 -0.22 0.00 -0.53 0.00 0.00 54.79 54.48 2crr n ASP 120 Cb 0.39 -0.59 -0.13 0.00 -0.64 0.00 0.00 41.12 40.14 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 0.19 0.00 -1.24 3.64 -1.01 -0.50 116.57 117.64 2crr h LYS 121 Ca 0.00 -0.32 -0.35 0.00 -1.27 0.00 0.00 60.65 58.71 2crr h LYS 121 Cb 0.15 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 2crr h LYS 121 CO 0.00 1.15 -2.21 0.66 -2.27 0.00 0.00 179.45 176.78 2crr n TYR 122 N -3.81 0.00 0.25 1.91 4.02 0.45 -3.57 117.16 116.40 2crr n TYR 122 Ca -0.31 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.48 2crr n TYR 122 Cb 0.93 -0.79 -0.05 0.00 -0.02 0.00 0.00 39.34 39.41 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 -0.62 0.00 -0.72 4.81 0.30 -3.17 114.58 114.62 2crr h GLU 123 Ca -0.53 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 2crr h GLU 123 Cb 1.55 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 31.06 2crr h GLU 123 CO -0.26 -0.41 -0.11 0.87 -0.73 0.00 0.00 179.01 178.37 2crr h LYS 124 N -0.70 0.00 -5.32 1.92 1.79 -1.32 -3.47 116.57 109.47 2crr h LYS 124 Ca -0.07 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 58.00 2crr h LYS 124 Cb 0.49 0.00 0.09 0.00 -1.58 0.00 0.00 32.23 31.23 2crr h LYS 124 CO 0.11 0.11 -0.65 1.63 -1.08 0.00 0.00 179.45 179.56 2crr n LYS 125 N -3.19 -6.47 0.24 3.15 4.76 -1.15 -4.93 118.16 110.57 2crr n LYS 125 Ca 0.01 0.84 -0.09 0.00 -2.87 0.00 0.00 58.31 56.20 2crr n LYS 125 Cb 0.43 -5.80 -0.04 0.00 -1.84 0.00 0.00 35.03 27.77 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 -2.09 -0.59 -1.54 1.97 1.57 -1.23 -3.06 116.57 111.60 2crr h LYS 126 Ca -0.55 0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.13 2crr h LYS 126 Cb 1.37 0.13 -0.06 0.00 0.08 0.00 0.00 32.23 33.75 2crr h LYS 126 CO 0.57 -0.39 0.18 0.66 -0.57 0.00 0.00 179.45 179.89 2crr n TYR 127 N -3.83 0.69 -3.52 -1.35 4.02 -1.26 -4.84 117.16 107.06 2crr n TYR 127 Ca -0.08 -1.24 -0.39 0.00 -0.01 0.00 0.00 57.90 56.19 2crr n TYR 127 Cb 0.24 -0.61 -0.10 0.00 -0.02 0.00 0.00 39.34 38.85 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 -0.79 3.22 -0.47 -0.72 5.04 -1.16 -3.79 117.35 118.68 2crr s TYR 128 Ca 0.14 0.06 -0.16 0.00 -2.44 0.00 0.00 57.07 54.66 2crr s TYR 128 Cb 0.11 -2.47 0.07 0.00 0.35 0.00 0.00 41.96 40.02 2crr s TYR 128 CO 0.01 -0.25 0.40 0.34 -1.34 0.00 0.00 175.55 174.70 2crr s ASP 129 N 1.73 6.15 0.15 4.32 -1.08 -1.17 -4.91 116.67 121.86 2crr s ASP 129 Ca 0.08 -1.29 0.11 0.00 -0.52 0.00 0.00 52.55 50.93 2crr s ASP 129 Cb -0.16 -2.19 -0.12 0.00 -1.46 0.00 0.00 42.92 38.98 2crr s ASP 129 CO 0.11 -0.65 1.24 0.07 0.52 0.00 0.00 175.17 176.46 2crr h LYS 130 N 8.76 0.00 -0.98 4.34 2.10 -1.97 -3.30 116.57 125.53 2crr h LYS 130 Ca -0.28 0.00 0.10 0.00 -2.00 0.00 0.00 60.65 58.46 2crr h LYS 130 Cb 1.11 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.36 2crr h LYS 130 CO 0.88 0.75 0.61 -0.97 -2.00 0.00 0.00 179.45 178.72 2crr h ASN 131 N 0.00 0.93 -0.54 7.07 -1.24 -1.91 -2.95 115.58 116.94 2crr h ASN 131 Ca -0.04 0.04 0.05 0.00 0.71 0.00 0.00 56.30 57.05 2crr h ASN 131 Cb 1.66 -0.15 -0.07 0.00 0.73 0.00 0.00 38.32 40.50 2crr h ASN 131 CO 0.10 0.53 -0.32 0.00 -1.29 0.00 0.00 177.43 176.45 2crr n ALA 132 N -2.36 -0.35 -0.01 1.57 0.00 -1.24 -0.72 120.51 117.41 2crr n ALA 132 Ca 0.17 0.46 -0.14 0.00 0.00 0.00 0.00 53.44 53.93 2crr n ALA 132 Cb 0.29 0.06 -0.08 0.00 0.00 0.00 0.00 19.45 19.71 2crr n ALA 132 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2crr h ILE 133 N 0.00 0.07 -3.80 0.00 5.03 -1.77 -3.42 117.51 113.62 2crr h ILE 133 Ca 0.09 0.00 -0.43 0.00 -0.12 0.00 0.00 64.86 64.39 2crr h ILE 133 Cb 0.22 0.07 0.17 0.00 -3.03 0.00 0.00 36.82 34.26 2crr h ILE 133 CO -0.51 0.00 0.24 0.00 -0.68 0.00 0.00 178.15 177.21 2crr s ALA 134 N -5.81 1.27 0.21 1.87 0.00 0.11 -5.03 121.76 114.38 2crr s ALA 134 Ca -0.15 -0.90 -0.22 0.00 0.00 0.00 0.00 51.96 50.69 2crr s ALA 134 Cb 0.08 -2.90 -0.08 0.00 0.00 0.00 0.00 23.12 20.22 2crr s ALA 134 CO 0.63 -3.00 0.75 0.42 0.00 0.00 0.00 175.76 174.56 2crr s ILE 135 N -3.29 4.50 0.35 0.00 1.01 -1.26 -4.87 121.20 117.64 2crr s ILE 135 Ca 0.70 1.43 -0.26 0.00 0.00 0.00 0.00 60.65 62.52 2crr s ILE 135 Cb -0.10 -3.95 -0.09 0.00 0.01 0.00 0.00 42.46 38.34 2crr s ILE 135 CO 0.55 0.31 1.07 -0.94 0.00 0.00 0.00 174.94 175.92 2crr s SER 136 N -1.49 6.95 0.00 3.58 1.04 -1.26 -5.03 113.70 117.49 2crr s SER 136 Ca 0.41 2.13 0.00 0.00 0.48 0.00 0.00 55.95 58.97 2crr s SER 136 Cb -0.19 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.33 2crr s SER 136 CO 0.22 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.69 2crr n GLY 137 N 0.68 1.12 3.63 7.32 0.00 -1.26 -5.00 105.19 111.67 2crr n GLY 137 Ca 0.03 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 2crr n GLY 137 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crr s PRO 138 N 2.11 3.74 0.17 1.61 0.04 -1.26 -4.95 135.00 136.46 2crr s PRO 138 Ca 0.00 1.61 -0.32 0.00 0.04 0.00 0.00 61.00 62.33 2crr s PRO 138 Cb 0.00 -4.05 -0.11 0.00 0.04 0.00 0.00 34.50 30.38 2crr s PRO 138 CO 0.00 -1.36 1.72 -1.12 0.04 0.00 0.00 177.00 176.29 2crr s SER 139 N 4.38 6.43 0.36 6.66 0.01 -1.26 -5.00 113.70 125.29 2crr s SER 139 Ca 0.72 2.78 0.07 0.00 1.31 0.00 0.00 55.95 60.83 2crr s SER 139 Cb -0.24 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.39 2crr s SER 139 CO 0.30 -0.95 0.44 -0.44 0.41 0.00 0.00 173.24 173.00 2crr s SER 140 N 1.65 5.71 0.00 2.44 0.01 -1.26 -5.33 113.70 116.91 2crr s SER 140 Ca 0.76 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.68 2crr s SER 140 Cb -0.47 -1.03 0.00 0.00 0.21 0.00 0.00 66.02 64.73 2crr s SER 140 CO 0.33 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 174.10