#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crp s SER 2 N 0.00 3.75 -0.16 1.61 0.01 -1.26 -5.04 113.70 112.61 2crp s SER 2 Ca 0.00 -0.31 -0.27 0.00 1.31 0.00 0.00 55.95 56.68 2crp s SER 2 Cb 0.00 -0.93 -0.24 0.00 0.21 0.00 0.00 66.02 65.06 2crp s SER 2 CO 0.00 0.29 0.64 -1.28 0.41 0.00 0.00 173.24 173.30 2crp h SER 3 N 5.74 0.00 0.00 2.44 0.87 -2.09 -3.50 113.55 117.01 2crp h SER 3 Ca -0.40 -0.88 0.00 0.00 -1.23 0.00 0.00 61.79 59.28 2crp h SER 3 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2crp h SER 3 CO 0.50 1.11 0.00 0.61 -0.53 0.00 0.00 176.83 178.52 2crp n GLY 4 N 1.57 3.11 3.70 5.77 0.00 -1.26 -5.11 105.19 112.97 2crp n GLY 4 Ca -0.15 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 2crp n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crp s SER 5 N 0.00 6.97 1.15 1.61 0.01 -1.26 -5.06 113.70 117.12 2crp s SER 5 Ca 0.00 1.17 -0.12 0.00 1.31 0.00 0.00 55.95 58.31 2crp s SER 5 Cb 0.00 -2.42 0.18 0.00 0.21 0.00 0.00 66.02 63.99 2crp s SER 5 CO 0.00 -0.18 0.65 -1.20 0.41 0.00 0.00 173.24 172.93 2crp n SER 6 N 4.11 -1.68 -4.41 2.44 7.64 -1.26 -5.00 113.62 115.46 2crp n SER 6 Ca -0.00 -0.89 -0.40 0.00 1.01 0.00 0.00 58.87 58.58 2crp n SER 6 Cb 0.51 -0.60 -0.11 0.00 -1.01 0.00 0.00 64.21 63.00 2crp n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2crp s GLY 7 N -3.67 1.93 0.00 0.23 0.00 -1.26 -4.94 107.32 99.62 2crp s GLY 7 Ca 0.42 -1.62 0.05 0.00 0.00 0.00 0.00 44.72 43.57 2crp s GLY 7 CO 0.33 0.82 0.75 -1.55 0.00 0.00 0.00 173.10 173.44 2crp n PRO 8 N 5.03 0.49 -0.57 2.90 -0.04 -1.26 -4.90 135.00 136.65 2crp n PRO 8 Ca -0.12 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.12 2crp n PRO 8 Cb 0.47 -1.15 -0.02 0.00 -0.04 0.00 0.00 33.50 32.76 2crp n PRO 8 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2crp n GLU 9 N -0.65 0.00 -1.66 0.54 0.28 -1.26 -4.83 120.64 113.06 2crp n GLU 9 Ca 0.04 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.71 2crp n GLU 9 Cb 0.02 -0.52 0.06 0.00 1.43 0.00 0.00 31.44 32.42 2crp n GLU 9 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2crp s LYS 10 N -0.12 2.66 -1.18 3.44 -0.14 -1.26 -4.88 119.74 118.25 2crp s LYS 10 Ca 0.32 1.42 -0.23 0.00 -1.36 0.00 0.00 55.97 56.12 2crp s LYS 10 Cb -0.45 -1.93 -0.09 0.00 -1.68 0.00 0.00 37.83 33.68 2crp s LYS 10 CO 0.22 -1.37 1.94 -1.25 -0.76 0.00 0.00 175.35 174.13 2crp s PRO 11 N -4.15 2.49 0.06 -1.68 0.04 -1.26 -4.78 135.00 125.72 2crp s PRO 11 Ca 0.67 -1.15 -0.17 0.00 0.04 0.00 0.00 61.00 60.39 2crp s PRO 11 Cb -0.21 -5.24 0.06 0.00 0.04 0.00 0.00 34.50 29.15 2crp s PRO 11 CO 0.43 -3.98 0.81 0.00 0.04 0.00 0.00 177.00 174.30 2crp n ALA 12 N 14.39 -2.20 -1.82 8.56 0.00 -1.26 -5.11 120.51 133.06 2crp n ALA 12 Ca 0.45 -0.65 -0.43 0.00 0.00 0.00 0.00 53.44 52.81 2crp n ALA 12 Cb 0.47 0.26 -0.03 0.00 0.00 0.00 0.00 19.45 20.15 2crp n ALA 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2crp s LYS 13 N -2.02 3.66 1.00 0.00 2.20 -1.26 -4.94 119.74 118.38 2crp s LYS 13 Ca 0.19 2.04 -0.18 0.00 -0.36 0.00 0.00 55.97 57.65 2crp s LYS 13 Cb -0.01 -4.19 -0.08 0.00 -1.51 0.00 0.00 37.83 32.04 2crp s LYS 13 CO 0.02 -1.48 -0.52 -2.37 -0.36 0.00 0.00 175.35 170.64 2crp n THR 14 N 6.64 0.00 0.01 3.43 5.66 -1.26 -4.99 114.28 123.77 2crp n THR 14 Ca 0.23 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 2crp n THR 14 Cb 0.44 -0.24 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 2crp n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2crp n GLN 15 N 0.81 0.00 -4.12 1.09 10.64 -1.26 -5.15 117.38 119.39 2crp n GLN 15 Ca 0.01 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.06 2crp n GLN 15 Cb 0.60 -0.06 -0.08 0.00 -0.86 0.00 0.00 30.24 29.84 2crp n GLN 15 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2crp s LYS 16 N -1.18 1.43 -0.05 2.61 3.01 -1.26 -5.16 119.74 119.13 2crp s LYS 16 Ca 0.00 -1.53 -0.07 0.00 -1.01 0.00 0.00 55.97 53.35 2crp s LYS 16 Cb 0.00 0.36 -0.04 0.00 -1.01 0.00 0.00 37.83 37.14 2crp s LYS 16 CO 0.00 -0.54 0.22 0.99 0.51 0.00 0.00 175.35 176.53 2crp s THR 17 N -3.95 5.38 0.16 2.17 2.01 -1.26 -5.09 115.64 115.06 2crp s THR 17 Ca 0.32 0.23 -0.20 0.00 0.31 0.00 0.00 61.69 62.36 2crp s THR 17 Cb 0.03 -3.51 -0.08 0.00 0.01 0.00 0.00 72.50 68.96 2crp s THR 17 CO 0.13 0.50 0.67 -0.44 -0.69 0.00 0.00 174.62 174.79 2crp s SER 18 N -1.35 7.08 0.10 3.53 0.01 -1.26 -4.70 113.70 117.11 2crp s SER 18 Ca 0.21 1.36 -0.24 0.00 1.31 0.00 0.00 55.95 58.59 2crp s SER 18 Cb -0.13 -2.40 -0.08 0.00 0.21 0.00 0.00 66.02 63.62 2crp s SER 18 CO 0.11 0.13 1.41 0.25 0.41 0.00 0.00 173.24 175.55 2crp h LEU 19 N 3.87 -1.38 -1.14 2.44 7.12 -1.78 0.77 115.31 125.21 2crp h LEU 19 Ca -0.48 0.18 0.00 0.00 0.13 0.00 0.00 57.88 57.71 2crp h LEU 19 Cb 1.20 0.56 0.00 0.00 -0.53 0.00 0.00 40.66 41.89 2crp h LEU 19 CO 0.65 -0.30 0.57 0.44 -0.13 0.00 0.00 178.44 179.67 2crp h ASP 20 N -0.30 0.00 0.00 1.25 3.32 -1.83 -1.07 116.42 117.78 2crp h ASP 20 Ca 0.05 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 2crp h ASP 20 Cb 0.45 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 2crp h ASP 20 CO -0.44 0.00 -0.41 -0.08 -1.72 0.00 0.00 179.24 176.59 2crp h GLU 21 N 0.00 0.00 -1.73 3.56 4.81 0.07 -3.28 114.58 118.00 2crp h GLU 21 Ca 0.00 0.00 0.52 0.00 -0.13 0.00 0.00 59.36 59.75 2crp h GLU 21 Cb 1.14 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.43 2crp h GLU 21 CO 0.00 0.12 1.22 0.00 -0.73 0.00 0.00 179.01 179.62 2crp h ALA 22 N -0.92 3.53 -0.00 2.92 0.00 0.38 1.77 119.26 126.94 2crp h ALA 22 Ca -0.03 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.63 2crp h ALA 22 Cb 0.45 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2crp h ALA 22 CO -0.02 -2.09 -0.94 -0.07 0.00 0.00 0.00 179.25 176.14 2crp h LEU 23 N 0.01 0.56 -2.07 0.00 3.38 -1.63 -3.14 115.31 112.42 2crp h LEU 23 Ca 0.87 -0.44 0.07 0.00 0.09 0.00 0.00 57.88 58.47 2crp h LEU 23 Cb 3.33 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 43.90 2crp h LEU 23 CO -0.11 1.24 0.35 1.56 0.09 0.00 0.00 178.44 181.57 2crp h GLN 24 N 0.24 0.00 0.00 1.13 4.20 0.27 0.46 115.11 121.40 2crp h GLN 24 Ca -0.08 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 2crp h GLN 24 Cb 1.58 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.35 2crp h GLN 24 CO 0.16 0.00 -0.21 -1.49 -0.67 0.00 0.00 178.83 176.62 2crp h TRP 25 N 0.00 0.00 -0.09 2.96 6.55 -1.48 -3.10 115.95 120.79 2crp h TRP 25 Ca 0.12 0.00 -0.20 0.00 0.95 0.00 0.00 58.89 59.75 2crp h TRP 25 Cb 0.81 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 29.12 2crp h TRP 25 CO 0.00 0.21 -0.74 0.00 -1.05 0.00 0.00 178.44 176.86 2crp h ARG 26 N 0.00 0.66 0.45 0.49 3.08 -0.24 -3.33 114.38 115.50 2crp h ARG 26 Ca -0.00 -0.59 -0.01 0.00 0.07 0.00 0.00 59.98 59.44 2crp h ARG 26 Cb 0.77 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 2crp h ARG 26 CO 0.03 1.20 -0.32 0.22 -1.07 0.00 0.00 179.97 180.03 2crp h ASP 27 N 0.33 -0.83 -3.83 7.04 3.58 -1.53 -3.44 116.42 117.74 2crp h ASP 27 Ca -0.07 0.06 -0.36 0.00 0.42 0.00 0.00 57.03 57.09 2crp h ASP 27 Cb 1.39 0.26 -0.30 0.00 1.72 0.00 0.00 39.33 42.40 2crp h ASP 27 CO 0.15 -0.49 -0.76 -0.55 -2.88 0.00 0.00 179.24 174.71 2crp s SER 28 N -4.55 0.75 0.27 2.28 0.15 -1.20 -5.04 113.70 106.37 2crp s SER 28 Ca -0.17 -0.11 -0.01 0.00 0.70 0.00 0.00 55.95 56.36 2crp s SER 28 Cb 0.05 -0.16 0.46 0.00 -1.71 0.00 0.00 66.02 64.66 2crp s SER 28 CO 0.63 0.04 1.86 0.25 1.20 0.00 0.00 173.24 177.22 2crp h LEU 29 N 6.28 0.98 -0.49 3.45 5.85 -1.85 -2.89 115.31 126.64 2crp h LEU 29 Ca -0.31 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.48 2crp h LEU 29 Cb 1.18 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.96 2crp h LEU 29 CO 0.49 0.58 -0.42 0.44 -0.34 0.00 0.00 178.44 179.20 2crp h ASP 30 N 1.08 -1.47 -1.10 1.25 5.19 -1.94 0.38 116.42 119.82 2crp h ASP 30 Ca 0.46 0.21 0.40 0.00 -0.62 0.00 0.00 57.03 57.47 2crp h ASP 30 Cb 0.30 0.62 -0.13 0.00 0.18 0.00 0.00 39.33 40.31 2crp h ASP 30 CO -0.21 -0.24 0.68 0.29 -3.12 0.00 0.00 179.24 176.63 2crp n LYS 31 N -4.66 -0.04 0.06 3.56 4.76 -1.09 -0.02 118.16 120.74 2crp n LYS 31 Ca -0.01 1.12 -0.03 0.00 -2.87 0.00 0.00 58.31 56.53 2crp n LYS 31 Cb 0.22 -2.15 -0.01 0.00 -1.84 0.00 0.00 35.03 31.25 2crp n LYS 31 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2crp h LEU 32 N 0.00 -0.16 -0.56 -0.35 5.85 -0.39 -2.54 115.31 117.16 2crp h LEU 32 Ca 0.76 0.01 0.11 0.00 0.84 0.00 0.00 57.88 59.59 2crp h LEU 32 Cb 2.31 0.04 -0.11 0.00 0.37 0.00 0.00 40.66 43.27 2crp h LEU 32 CO -0.49 0.02 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.33 2crp h LEU 33 N -0.46 -0.82 -0.80 2.25 3.38 -0.18 0.87 115.31 119.55 2crp h LEU 33 Ca -0.02 0.20 0.11 0.00 0.09 0.00 0.00 57.88 58.25 2crp h LEU 33 Cb 0.14 0.45 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 2crp h LEU 33 CO 0.03 -0.25 0.43 1.56 0.09 0.00 0.00 178.44 180.30 2crp h GLN 34 N -0.10 0.68 -6.37 1.13 1.08 -0.58 -3.40 115.11 107.55 2crp h GLN 34 Ca 0.25 -0.04 -0.54 0.00 -1.45 0.00 0.00 58.65 56.87 2crp h GLN 34 Cb 0.50 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.77 2crp h GLN 34 CO -0.62 0.45 0.87 -0.80 -0.95 0.00 0.00 178.83 177.77 2crp s ASN 35 N -5.54 6.82 0.15 1.46 -0.87 0.28 -4.92 114.94 112.32 2crp s ASN 35 Ca -0.12 2.15 -0.17 0.00 -1.57 0.00 0.00 52.86 53.14 2crp s ASN 35 Cb 0.20 -2.56 0.04 0.00 -0.02 0.00 0.00 41.25 38.91 2crp s ASN 35 CO 0.78 -0.75 1.75 -0.55 -2.57 0.00 0.00 177.10 175.76 2crp h ASN 36 N 7.99 0.14 0.34 -1.22 -1.07 -1.79 0.35 115.58 120.31 2crp h ASN 36 Ca -0.38 0.03 -0.02 0.00 0.07 0.00 0.00 56.30 56.01 2crp h ASN 36 Cb 1.18 0.02 0.00 0.00 -2.07 0.00 0.00 38.32 37.45 2crp h ASN 36 CO 0.91 0.12 -0.16 0.22 0.07 0.00 0.00 177.43 178.58 2crp h TYR 37 N 0.27 -0.42 -0.96 4.14 3.20 -1.91 -1.41 116.97 119.88 2crp h TYR 37 Ca 0.15 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.03 2crp h TYR 37 Cb 0.11 0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 2crp h TYR 37 CO -0.13 -0.18 0.63 0.78 -1.64 0.00 0.00 178.16 177.63 2crp h GLY 38 N -0.60 1.38 0.74 1.82 0.00 -1.72 -2.64 103.07 102.05 2crp h GLY 38 Ca -0.05 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 2crp h GLY 38 CO 0.08 0.44 -0.35 -2.00 0.00 0.00 0.00 176.54 174.70 2crp h LEU 39 N 1.25 -0.84 -0.88 3.11 5.85 -0.05 0.21 115.31 123.96 2crp h LEU 39 Ca 0.37 0.03 0.17 0.00 0.84 0.00 0.00 57.88 59.29 2crp h LEU 39 Cb -0.05 0.22 -0.16 0.00 0.37 0.00 0.00 40.66 41.04 2crp h LEU 39 CO -0.10 -0.54 -0.27 0.00 -0.34 0.00 0.00 178.44 177.18 2crp h ALA 40 N -1.43 0.43 -0.30 1.25 0.00 -1.19 0.21 119.26 118.23 2crp h ALA 40 Ca -0.10 0.31 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2crp h ALA 40 Cb 0.76 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 2crp h ALA 40 CO 0.17 -0.47 -0.02 0.77 0.00 0.00 0.00 179.25 179.70 2crp h SER 41 N -0.02 0.53 -0.92 0.00 0.02 -1.44 -2.98 113.55 108.74 2crp h SER 41 Ca 0.39 -0.32 0.17 0.00 -0.84 0.00 0.00 61.79 61.19 2crp h SER 41 Cb 0.63 -0.14 -0.10 0.00 0.14 0.00 0.00 62.40 62.93 2crp h SER 41 CO -0.91 0.72 0.50 0.15 -1.14 0.00 0.00 176.83 176.16 2crp h PHE 42 N 0.32 0.88 0.58 3.45 3.57 0.24 -2.29 116.94 123.69 2crp h PHE 42 Ca 0.08 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 2crp h PHE 42 Cb 0.46 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 38.95 2crp h PHE 42 CO 0.04 0.19 -0.28 0.87 -2.23 0.00 0.00 178.31 176.90 2crp h LYS 43 N 0.67 -0.75 -0.99 1.11 1.57 -0.82 -2.81 116.57 114.54 2crp h LYS 43 Ca 0.52 0.05 0.37 0.00 -1.87 0.00 0.00 60.65 59.72 2crp h LYS 43 Cb 0.78 0.17 -0.18 0.00 0.08 0.00 0.00 32.23 33.08 2crp h LYS 43 CO -0.38 -0.50 0.39 1.03 -0.57 0.00 0.00 179.45 179.42 2crp h SER 44 N -0.80 0.11 -0.41 0.86 0.87 -1.35 0.80 113.55 113.62 2crp h SER 44 Ca -0.08 0.26 0.04 0.00 -1.23 0.00 0.00 61.79 60.78 2crp h SER 44 Cb 0.60 0.32 -0.04 0.00 -0.44 0.00 0.00 62.40 62.84 2crp h SER 44 CO 0.13 -0.39 0.20 0.15 -0.53 0.00 0.00 176.83 176.39 2crp h PHE 45 N 0.03 0.36 -0.08 2.24 3.57 -1.24 -2.71 116.94 119.12 2crp h PHE 45 Ca 0.77 0.02 0.02 0.00 3.53 0.00 0.00 57.97 62.30 2crp h PHE 45 Cb 1.90 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 40.52 2crp h PHE 45 CO -0.15 0.18 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.00 2crp h LEU 46 N 0.40 -0.13 -0.86 0.59 3.38 0.86 -2.24 115.31 117.31 2crp h LEU 46 Ca 0.18 0.03 0.21 0.00 0.09 0.00 0.00 57.88 58.39 2crp h LEU 46 Cb 0.10 0.07 -0.15 0.00 0.09 0.00 0.00 40.66 40.77 2crp h LEU 46 CO -0.14 -0.05 -0.02 0.11 0.09 0.00 0.00 178.44 178.43 2crp h LYS 47 N -0.04 0.06 -0.59 1.13 1.57 -1.11 1.46 116.57 119.06 2crp h LYS 47 Ca 0.04 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2crp h LYS 47 Cb 0.10 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2crp h LYS 47 CO -0.10 0.04 0.09 1.03 -0.57 0.00 0.00 179.45 179.94 2crp h SER 48 N 0.06 0.94 0.54 0.86 0.87 -1.30 -2.21 113.55 113.30 2crp h SER 48 Ca 0.48 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2crp h SER 48 Cb 0.88 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2crp h SER 48 CO -0.79 0.97 -0.03 -0.62 -0.53 0.00 0.00 176.83 175.83 2crp n GLU 49 N -4.30 0.46 -3.11 2.24 -0.58 0.13 -4.90 120.64 110.58 2crp n GLU 49 Ca 0.03 -0.04 -0.20 0.00 -0.42 0.00 0.00 57.16 56.53 2crp n GLU 49 Cb 0.28 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.70 2crp n GLU 49 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2crp n PHE 50 N -1.23 -2.01 -2.23 -0.32 3.01 0.46 -4.91 117.46 110.23 2crp n PHE 50 Ca 0.14 0.61 -0.03 0.00 1.01 0.00 0.00 57.45 59.18 2crp n PHE 50 Cb 0.25 -4.25 0.08 0.00 -0.01 0.00 0.00 39.48 35.55 2crp n PHE 50 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2crp n SER 51 N -2.15 2.29 0.23 4.37 7.64 -0.70 -4.78 113.62 120.52 2crp n SER 51 Ca -0.06 -2.94 0.13 0.00 1.01 0.00 0.00 58.87 57.01 2crp n SER 51 Cb 0.59 -0.41 0.36 0.00 -1.01 0.00 0.00 64.21 63.73 2crp n SER 51 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2crp h GLU 52 N 1.67 0.00 -0.14 1.43 4.81 -1.91 -3.14 114.58 117.30 2crp h GLU 52 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2crp h GLU 52 Cb 1.43 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.80 2crp h GLU 52 CO 0.26 0.07 0.09 1.05 -0.73 0.00 0.00 179.01 179.74 2crp h GLU 53 N 0.00 0.19 -0.06 1.92 9.09 -1.87 -1.89 114.58 121.96 2crp h GLU 53 Ca -0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 59.36 59.40 2crp h GLU 53 Cb 0.85 -0.04 -0.00 0.00 -1.65 0.00 0.00 28.75 27.90 2crp h GLU 53 CO 0.01 0.13 0.04 -0.91 0.05 0.00 0.00 179.01 178.33 2crp h ASN 54 N 0.19 0.08 -0.37 3.06 4.21 -1.84 -2.79 115.58 118.12 2crp h ASN 54 Ca 0.05 -0.04 -0.06 0.00 1.21 0.00 0.00 56.30 57.45 2crp h ASN 54 Cb -0.01 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.16 2crp h ASN 54 CO -0.01 0.10 -0.02 0.25 -1.29 0.00 0.00 177.43 176.46 2crp h LEU 55 N 0.05 0.66 -0.57 1.61 6.46 -1.64 -3.22 115.31 118.66 2crp h LEU 55 Ca 0.02 -0.32 0.08 0.00 -0.12 0.00 0.00 57.88 57.54 2crp h LEU 55 Cb 0.04 -0.18 -0.10 0.00 -0.73 0.00 0.00 40.66 39.69 2crp h LEU 55 CO -0.00 0.82 -0.49 -0.33 -0.62 0.00 0.00 178.44 177.81 2crp h GLU 56 N 0.48 -0.25 -1.10 1.25 4.39 -1.22 0.63 114.58 118.76 2crp h GLU 56 Ca 0.10 0.02 0.31 0.00 0.34 0.00 0.00 59.36 60.13 2crp h GLU 56 Cb 0.49 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.14 2crp h GLU 56 CO 0.02 -0.17 0.77 0.35 -1.16 0.00 0.00 179.01 178.83 2crp h PHE 57 N -0.26 0.17 0.20 4.33 3.57 -1.51 -0.45 116.94 122.98 2crp h PHE 57 Ca 0.14 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2crp h PHE 57 Cb 0.56 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.25 2crp h PHE 57 CO -0.75 0.01 -0.09 2.35 -2.23 0.00 0.00 178.31 177.60 2crp h TRP 58 N 0.10 -0.24 -0.94 0.41 7.01 0.14 -2.68 115.95 119.75 2crp h TRP 58 Ca 0.55 -0.01 0.26 0.00 2.11 0.00 0.00 58.89 61.80 2crp h TRP 58 Cb 1.99 0.08 -0.14 0.00 -2.10 0.00 0.00 29.16 28.99 2crp h TRP 58 CO -0.00 -0.15 0.42 0.82 -2.79 0.00 0.00 178.44 176.74 2crp h ILE 59 N -0.79 0.37 -0.08 2.65 2.04 -0.44 0.78 117.51 122.05 2crp h ILE 59 Ca -0.03 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 2crp h ILE 59 Cb 0.20 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.29 2crp h ILE 59 CO 0.04 0.06 0.04 0.00 0.00 0.00 0.00 178.15 178.29 2crp h ALA 60 N 1.78 0.10 -0.46 1.87 0.00 -1.20 -2.48 119.26 118.88 2crp h ALA 60 Ca 0.62 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.54 2crp h ALA 60 Cb 1.30 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.96 2crp h ALA 60 CO -0.59 -0.32 -0.34 0.00 0.00 0.00 0.00 179.25 178.00 2crp h GLU 62 N -0.23 0.65 0.00 0.00 4.39 -1.40 0.13 114.58 118.11 2crp h GLU 62 Ca 0.19 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2crp h GLU 62 Cb 0.55 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2crp h GLU 62 CO -0.59 0.43 0.00 0.22 -1.16 0.00 0.00 179.01 177.91 2crp h ASP 63 N 0.67 0.00 0.44 1.42 3.58 -0.57 -1.81 116.42 120.15 2crp h ASP 63 Ca 0.30 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.45 2crp h ASP 63 Cb 0.20 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.20 2crp h ASP 63 CO -0.19 0.00 -1.77 0.00 -2.88 0.00 0.00 179.24 174.41 2crp n TYR 64 N -2.36 0.95 0.11 0.28 4.19 0.36 -4.05 117.16 116.65 2crp n TYR 64 Ca -0.00 0.33 0.01 0.00 3.31 0.00 0.00 57.90 61.55 2crp n TYR 64 Cb 0.12 -1.17 0.33 0.00 0.49 0.00 0.00 39.34 39.11 2crp n TYR 64 CO 0.00 0.00 0.00 0.87 0.91 0.00 0.00 176.86 178.64 2crp h LYS 65 N 0.00 0.23 -0.73 2.98 1.79 -0.42 -1.96 116.57 118.46 2crp h LYS 65 Ca -0.31 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 2crp h LYS 65 Cb 2.03 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.66 2crp h LYS 65 CO 0.08 0.45 0.00 0.36 -1.08 0.00 0.00 179.45 179.26 2crp n LYS 66 N -4.19 1.37 -3.29 3.15 2.85 -1.16 -4.79 118.16 112.11 2crp n LYS 66 Ca -0.01 -0.34 -0.40 0.00 -1.05 0.00 0.00 58.31 56.51 2crp n LYS 66 Cb 0.34 -1.45 -0.08 0.00 -0.65 0.00 0.00 35.03 33.18 2crp n LYS 66 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2crp s ILE 67 N -1.37 5.09 -0.18 0.58 1.01 -0.74 -4.93 121.20 120.66 2crp s ILE 67 Ca 0.06 0.58 0.09 0.00 0.00 0.00 0.00 60.65 61.39 2crp s ILE 67 Cb 0.04 -3.83 -0.22 0.00 0.01 0.00 0.00 42.46 38.46 2crp s ILE 67 CO 0.02 0.01 0.11 2.29 0.00 0.00 0.00 174.94 177.38 2crp n LYS 68 N 5.53 0.68 -1.57 2.79 -0.00 -1.26 -4.77 118.16 119.56 2crp n LYS 68 Ca -0.06 0.12 -0.50 0.00 -0.00 0.00 0.00 58.31 57.87 2crp n LYS 68 Cb 0.50 -1.59 -0.05 0.00 -0.00 0.00 0.00 35.03 33.89 2crp n LYS 68 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2crp n SER 69 N -3.05 1.19 0.19 -5.58 7.64 -1.26 -4.86 113.62 107.90 2crp n SER 69 Ca -0.34 1.14 0.05 0.00 1.01 0.00 0.00 58.87 60.73 2crp n SER 69 Cb 1.08 -1.18 0.38 0.00 -1.01 0.00 0.00 64.21 63.48 2crp n SER 69 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2crp h PRO 70 N 3.45 0.00 0.12 1.43 0.13 -2.00 -1.93 132.00 133.21 2crp h PRO 70 Ca -0.44 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.39 2crp h PRO 70 Cb 1.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 2crp h PRO 70 CO 0.70 0.36 -1.58 0.00 -0.23 0.00 0.00 178.00 177.26 2crp h ALA 71 N 1.64 0.23 0.14 -0.56 0.00 -2.00 -3.36 119.26 115.35 2crp h ALA 71 Ca -0.00 -1.17 -0.01 0.00 0.00 0.00 0.00 54.91 53.73 2crp h ALA 71 Cb 0.77 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2crp h ALA 71 CO 0.05 0.95 -0.07 -0.22 0.00 0.00 0.00 179.25 179.96 2crp h LYS 72 N -0.21 -0.18 -1.27 0.00 1.63 -1.94 0.40 116.57 114.99 2crp h LYS 72 Ca -0.34 0.01 0.39 0.00 -0.85 0.00 0.00 60.65 59.86 2crp h LYS 72 Cb 1.84 0.04 -0.11 0.00 -0.60 0.00 0.00 32.23 33.40 2crp h LYS 72 CO 0.06 -0.01 0.83 0.52 -3.45 0.00 0.00 179.45 177.41 2crp h MET 73 N -0.33 0.15 0.00 1.90 2.86 -1.53 0.50 114.93 118.49 2crp h MET 73 Ca -0.02 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2crp h MET 73 Cb 0.26 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2crp h MET 73 CO 0.03 0.10 -0.40 0.00 1.06 0.00 0.00 176.91 177.70 2crp n ALA 74 N -2.56 0.35 0.03 6.32 0.00 -1.00 -3.81 120.51 119.84 2crp n ALA 74 Ca 0.33 -0.36 -0.15 0.00 0.00 0.00 0.00 53.44 53.26 2crp n ALA 74 Cb 1.29 0.01 -0.10 0.00 0.00 0.00 0.00 19.45 20.66 2crp n ALA 74 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2crp h GLU 75 N -0.77 -0.61 -0.83 0.00 4.39 0.15 -1.32 114.58 115.58 2crp h GLU 75 Ca 0.00 0.04 0.21 0.00 0.34 0.00 0.00 59.36 59.95 2crp h GLU 75 Cb 0.40 0.14 -0.14 0.00 -0.10 0.00 0.00 28.75 29.05 2crp h GLU 75 CO 0.00 -0.40 0.10 -0.22 -1.16 0.00 0.00 179.01 177.33 2crp h LYS 76 N -0.63 0.13 -0.63 2.33 1.63 -0.18 0.97 116.57 120.18 2crp h LYS 76 Ca 0.02 -0.01 0.13 0.00 -0.85 0.00 0.00 60.65 59.94 2crp h LYS 76 Cb 0.70 -0.03 -0.12 0.00 -0.60 0.00 0.00 32.23 32.18 2crp h LYS 76 CO -0.39 0.09 -0.15 0.00 -3.45 0.00 0.00 179.45 175.54 2crp h ALA 77 N 1.77 0.43 -0.91 5.00 0.00 -1.34 0.13 119.26 124.33 2crp h ALA 77 Ca 0.49 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.63 2crp h ALA 77 Cb 0.93 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 2crp h ALA 77 CO -0.69 -0.42 0.54 1.57 0.00 0.00 0.00 179.25 180.24 2crp h LYS 78 N 0.00 1.25 -0.32 0.00 2.10 -0.61 -2.75 116.57 116.24 2crp h LYS 78 Ca 0.31 -0.12 0.07 0.00 -2.00 0.00 0.00 60.65 58.90 2crp h LYS 78 Cb 0.47 -0.26 -0.06 0.00 -0.90 0.00 0.00 32.23 31.48 2crp h LYS 78 CO -0.65 0.88 -0.09 1.96 -2.00 0.00 0.00 179.45 179.55 2crp h GLN 79 N 1.26 -0.02 0.00 0.07 4.20 -0.30 0.39 115.11 120.72 2crp h GLN 79 Ca 0.33 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.02 2crp h GLN 79 Cb -0.03 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 2crp h GLN 79 CO -0.06 -0.01 -0.06 0.82 -0.67 0.00 0.00 178.83 178.85 2crp h ILE 80 N -0.02 1.00 0.04 2.54 2.04 -1.13 -2.15 117.51 119.84 2crp h ILE 80 Ca 0.16 -0.22 -0.12 0.00 1.00 0.00 0.00 64.86 65.69 2crp h ILE 80 Cb 0.26 1.12 0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2crp h ILE 80 CO -0.34 0.06 -0.48 0.22 0.00 0.00 0.00 178.15 177.61 2crp h TYR 81 N 0.00 0.40 0.00 1.37 5.03 -0.76 -0.56 116.97 122.46 2crp h TYR 81 Ca -0.00 -0.25 0.00 0.00 2.58 0.00 0.00 58.73 61.06 2crp h TYR 81 Cb 0.11 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.36 2crp h TYR 81 CO 0.00 1.11 0.00 0.39 -1.32 0.00 0.00 178.16 178.34 2crp n GLU 82 N -4.33 0.05 -0.10 1.82 1.02 0.12 0.22 120.64 119.44 2crp n GLU 82 Ca -0.11 0.29 -0.19 0.00 -0.02 0.00 0.00 57.16 57.13 2crp n GLU 82 Cb 0.64 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.49 2crp n GLU 82 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2crp n GLU 83 N -1.42 0.45 -0.11 3.49 2.13 -0.84 -4.55 120.64 119.79 2crp n GLU 83 Ca 0.03 0.19 -0.20 0.00 0.66 0.00 0.00 57.16 57.84 2crp n GLU 83 Cb 0.09 -1.26 -0.07 0.00 0.27 0.00 0.00 31.44 30.47 2crp n GLU 83 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2crp n PHE 84 N -4.05 0.00 0.95 4.31 3.72 -0.22 -3.69 117.46 118.48 2crp n PHE 84 Ca -0.35 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.05 2crp n PHE 84 Cb 0.70 -0.74 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 2crp n PHE 84 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2crp n ILE 85 N -4.23 0.65 -4.07 4.37 2.08 0.57 -4.09 119.36 114.63 2crp n ILE 85 Ca -0.36 0.00 -0.31 0.00 0.56 0.00 0.00 62.75 62.64 2crp n ILE 85 Cb 0.71 -0.82 -0.07 0.00 -0.75 0.00 0.00 39.64 38.72 2crp n ILE 85 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2crp s GLN 86 N -0.28 2.98 0.01 0.38 0.74 0.59 -4.63 119.66 119.45 2crp s GLN 86 Ca 0.00 -0.60 -0.34 0.00 0.05 0.00 0.00 55.36 54.47 2crp s GLN 86 Cb 0.00 -2.79 -0.13 0.00 1.10 0.00 0.00 33.01 31.19 2crp s GLN 86 CO 0.00 0.60 1.76 2.41 -0.55 0.00 0.00 175.29 179.51 2crp n THR 87 N 0.75 0.36 -3.10 -0.34 -1.04 -1.26 -1.11 114.28 108.53 2crp n THR 87 Ca -0.10 -0.06 -0.18 0.00 -2.04 0.00 0.00 64.05 61.66 2crp n THR 87 Cb 0.52 -1.74 -0.01 0.00 -1.82 0.00 0.00 70.33 67.28 2crp n THR 87 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2crp n GLU 88 N 5.39 -2.91 -0.73 -2.82 1.02 -1.26 -4.88 120.64 114.45 2crp n GLU 88 Ca 0.20 0.41 -0.32 0.00 -0.02 0.00 0.00 57.16 57.44 2crp n GLU 88 Cb 0.29 -5.06 0.15 0.00 -0.02 0.00 0.00 31.44 26.80 2crp n GLU 88 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2crp n ALA 89 N -3.10 -2.91 0.07 0.62 0.00 -0.27 -4.91 120.51 110.01 2crp n ALA 89 Ca -0.04 -0.83 -0.04 0.00 0.00 0.00 0.00 53.44 52.54 2crp n ALA 89 Cb 0.55 -1.76 0.18 0.00 0.00 0.00 0.00 19.45 18.41 2crp n ALA 89 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2crp h PRO 90 N -1.80 0.31 0.00 0.00 0.13 -1.90 -3.22 132.00 125.51 2crp h PRO 90 Ca -0.47 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2crp h PRO 90 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2crp h PRO 90 CO 0.37 0.70 -0.04 1.63 -0.23 0.00 0.00 178.00 180.43 2crp n LYS 91 N -4.00 1.50 -1.37 0.86 5.02 -1.24 -5.04 118.16 113.89 2crp n LYS 91 Ca -0.02 -2.21 -0.51 0.00 -2.02 0.00 0.00 58.31 53.55 2crp n LYS 91 Cb 0.51 -1.31 -0.13 0.00 -0.02 0.00 0.00 35.03 34.09 2crp n LYS 91 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2crp n GLU 92 N -1.12 0.07 -0.23 1.97 2.13 -1.22 -4.75 120.64 117.50 2crp n GLU 92 Ca 0.11 0.01 -0.20 0.00 0.66 0.00 0.00 57.16 57.75 2crp n GLU 92 Cb 0.56 -1.58 0.19 0.00 0.27 0.00 0.00 31.44 30.88 2crp n GLU 92 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2crp n VAL 93 N 6.96 0.00 -3.26 6.31 0.24 -1.26 -4.94 118.33 122.38 2crp n VAL 93 Ca 0.58 -0.05 -0.46 0.00 -2.04 0.00 0.00 64.34 62.37 2crp n VAL 93 Cb 0.01 -0.72 -0.04 0.00 -1.47 0.00 0.00 33.84 31.62 2crp n VAL 93 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2crp s ASN 94 N -2.82 6.27 -0.18 -1.34 0.01 -1.26 -5.00 114.94 110.62 2crp s ASN 94 Ca 0.44 -1.84 -0.04 0.00 -0.71 0.00 0.00 52.86 50.71 2crp s ASN 94 Cb -0.07 -2.23 0.09 0.00 0.41 0.00 0.00 41.25 39.44 2crp s ASN 94 CO 0.36 -0.88 0.24 0.27 -1.51 0.00 0.00 177.10 175.58 2crp s ILE 95 N 1.66 -0.37 0.88 0.60 -4.36 -1.26 -4.78 121.20 113.58 2crp s ILE 95 Ca 0.07 -0.00 -0.14 0.00 -0.26 0.00 0.00 60.65 60.32 2crp s ILE 95 Cb -0.26 -0.62 -0.01 0.00 1.25 0.00 0.00 42.46 42.82 2crp s ILE 95 CO 0.02 -0.11 0.30 -0.67 0.24 0.00 0.00 174.94 174.72 2crp n ASP 96 N 5.33 -2.29 -0.33 4.36 2.03 -1.26 -4.32 116.55 120.07 2crp n ASP 96 Ca -0.05 0.40 0.27 0.00 0.52 0.00 0.00 54.79 55.93 2crp n ASP 96 Cb 0.50 -1.15 0.59 0.00 -0.72 0.00 0.00 41.12 40.33 2crp n ASP 96 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2crp h HIS 97 N -1.11 0.45 0.00 -0.67 3.86 -2.01 -0.83 115.15 114.84 2crp h HIS 97 Ca -0.44 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 2crp h HIS 97 Cb 1.31 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.65 2crp h HIS 97 CO 0.35 0.02 0.00 0.34 0.86 0.00 0.00 177.93 179.51 2crp n PHE 98 N -4.50 0.00 0.04 2.45 -0.00 -1.26 -0.38 117.46 113.81 2crp n PHE 98 Ca 0.26 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.59 2crp n PHE 98 Cb 1.02 -0.46 -0.07 0.00 -0.00 0.00 0.00 39.48 39.97 2crp n PHE 98 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 2crp h THR 99 N 0.00 1.00 -0.86 -2.13 2.02 -1.76 -2.67 112.91 108.51 2crp h THR 99 Ca 0.00 -0.02 0.22 0.00 0.77 0.00 0.00 66.41 67.38 2crp h THR 99 Cb 0.00 1.01 -0.14 0.00 -1.74 0.00 0.00 68.15 67.28 2crp h THR 99 CO 0.00 0.01 0.18 0.50 0.37 0.00 0.00 175.52 176.57 2crp h LYS 100 N -0.02 0.17 -0.39 6.66 3.11 -1.13 0.19 116.57 125.17 2crp h LYS 100 Ca -0.00 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.82 2crp h LYS 100 Cb 0.02 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.19 2crp h LYS 100 CO 0.00 0.12 0.19 -0.44 -2.81 0.00 0.00 179.45 176.51 2crp h ASP 101 N 0.18 0.50 -0.34 4.20 5.19 -0.40 -3.19 116.42 122.56 2crp h ASP 101 Ca 0.52 -0.12 0.04 0.00 -0.62 0.00 0.00 57.03 56.85 2crp h ASP 101 Cb 1.03 -0.13 -0.06 0.00 0.18 0.00 0.00 39.33 40.36 2crp h ASP 101 CO -0.67 0.47 -0.36 0.40 -3.12 0.00 0.00 179.24 175.97 2crp h ILE 102 N 0.49 0.00 -0.84 0.35 1.08 -0.30 -1.52 117.51 116.76 2crp h ILE 102 Ca 0.13 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.73 2crp h ILE 102 Cb 0.10 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 33.71 2crp h ILE 102 CO -0.02 0.00 -0.41 0.74 -0.69 0.00 0.00 178.15 177.77 2crp h THR 103 N -0.20 0.05 -0.80 -0.27 2.02 -1.50 0.73 112.91 112.94 2crp h THR 103 Ca 0.06 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.37 2crp h THR 103 Cb 0.35 0.05 -0.14 0.00 -1.74 0.00 0.00 68.15 66.68 2crp h THR 103 CO -0.43 0.00 -0.37 0.24 0.37 0.00 0.00 175.52 175.33 2crp h MET 104 N -0.07 -0.08 0.00 6.66 2.86 -1.28 1.40 114.93 124.42 2crp h MET 104 Ca 0.28 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.91 2crp h MET 104 Cb 0.56 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 2crp h MET 104 CO -0.87 -0.05 -0.03 0.87 1.06 0.00 0.00 176.91 177.88 2crp h LYS 105 N -0.08 0.00 -0.23 1.72 1.57 -0.50 0.67 116.57 119.72 2crp h LYS 105 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2crp h LYS 105 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2crp h LYS 105 CO -0.84 0.03 0.00 0.09 -0.57 0.00 0.00 179.45 178.16 2crp n ASN 106 N -3.66 1.45 -0.40 0.86 3.02 0.47 -3.52 115.26 113.48 2crp n ASN 106 Ca -0.03 -1.87 0.12 0.00 -0.03 0.00 0.00 54.58 52.77 2crp n ASN 106 Cb 0.12 -0.15 0.27 0.00 -0.61 0.00 0.00 39.78 39.41 2crp n ASN 106 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2crp n LEU 107 N 0.25 1.51 0.03 3.41 4.77 0.23 -3.33 117.00 123.87 2crp n LEU 107 Ca 0.12 -0.49 -0.05 0.00 -0.03 0.00 0.00 56.01 55.56 2crp n LEU 107 Cb 0.25 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 2crp n LEU 107 CO 0.09 0.27 0.16 0.58 -1.33 0.00 0.00 177.39 177.16 2crp h VAL 108 N 1.96 0.32 -1.53 4.08 2.07 -1.71 -3.39 116.25 118.04 2crp h VAL 108 Ca 0.00 -1.06 -0.55 0.00 0.82 0.00 0.00 66.70 65.91 2crp h VAL 108 Cb 0.61 0.58 -0.42 0.00 -1.52 0.00 0.00 31.29 30.55 2crp h VAL 108 CO 0.00 0.10 -0.80 -0.62 0.02 0.00 0.00 177.57 176.27 2crp n GLU 109 N -4.88 3.03 -2.23 1.57 1.02 -1.26 -5.08 120.64 112.81 2crp n GLU 109 Ca -0.04 -4.34 -0.41 0.00 -0.02 0.00 0.00 57.16 52.35 2crp n GLU 109 Cb 0.15 -2.09 -0.03 0.00 -0.02 0.00 0.00 31.44 29.45 2crp n GLU 109 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2crp s PRO 110 N -3.45 4.40 0.09 3.49 0.04 -1.21 -4.92 135.00 133.43 2crp s PRO 110 Ca 0.45 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.53 2crp s PRO 110 Cb 0.40 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.74 2crp s PRO 110 CO -0.15 -0.23 0.00 0.43 0.04 0.00 0.00 177.00 177.09 2crp n SER 111 N 2.52 0.13 0.00 6.66 7.64 -1.26 -4.48 113.62 124.83 2crp n SER 111 Ca 0.06 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.08 2crp n SER 111 Cb 0.43 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 2crp n SER 111 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2crp n LEU 112 N -2.89 0.35 -1.28 -3.43 4.77 -1.26 -4.81 117.00 108.45 2crp n LEU 112 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2crp n LEU 112 Cb 0.00 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.27 2crp n LEU 112 CO 0.00 -0.14 0.63 -0.24 -1.33 0.00 0.00 177.39 176.31 2crp n SER 113 N -2.22 3.35 -0.28 -1.43 2.88 -1.26 -4.31 113.62 110.36 2crp n SER 113 Ca 0.00 -2.53 -0.00 0.00 -1.33 0.00 0.00 58.87 55.00 2crp n SER 113 Cb 0.12 -0.61 0.19 0.00 -0.75 0.00 0.00 64.21 63.17 2crp n SER 113 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2crp h SER 114 N 1.64 0.97 -1.41 -3.46 4.64 -1.87 -2.83 113.55 111.23 2crp h SER 114 Ca 0.07 -0.03 -0.63 0.00 -0.47 0.00 0.00 61.79 60.74 2crp h SER 114 Cb 1.39 -0.24 -0.38 0.00 -0.31 0.00 0.00 62.40 62.85 2crp h SER 114 CO 0.31 0.71 -0.25 0.49 -0.87 0.00 0.00 176.83 177.22 2crp n PHE 115 N -4.40 3.17 -0.04 4.77 3.72 -1.26 -4.76 117.46 118.66 2crp n PHE 115 Ca 0.10 -2.76 -0.12 0.00 -0.05 0.00 0.00 57.45 54.61 2crp n PHE 115 Cb 0.02 -0.48 -0.11 0.00 -0.94 0.00 0.00 39.48 37.98 2crp n PHE 115 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2crp h ASP 116 N 2.53 -0.02 0.69 4.37 3.58 -1.80 -2.75 116.42 123.02 2crp h ASP 116 Ca 0.40 -0.75 -0.03 0.00 0.42 0.00 0.00 57.03 57.07 2crp h ASP 116 Cb 0.86 0.01 0.01 0.00 1.72 0.00 0.00 39.33 41.92 2crp h ASP 116 CO 1.01 0.78 -0.33 -0.03 -2.88 0.00 0.00 179.24 177.80 2crp h MET 117 N -0.87 -0.89 -0.88 0.28 4.05 -1.85 -1.88 114.93 112.88 2crp h MET 117 Ca -0.00 0.06 0.19 0.00 -0.28 0.00 0.00 59.70 59.67 2crp h MET 117 Cb 0.77 0.20 -0.11 0.00 -0.80 0.00 0.00 31.60 31.66 2crp h MET 117 CO 0.00 -0.57 0.41 0.00 0.23 0.00 0.00 176.91 176.99 2crp h ALA 118 N -1.06 1.37 0.78 0.39 0.00 -1.88 0.49 119.26 119.35 2crp h ALA 118 Ca -0.09 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2crp h ALA 118 Cb 0.74 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.61 2crp h ALA 118 CO 0.16 -0.24 -0.37 0.37 0.00 0.00 0.00 179.25 179.17 2crp h GLN 119 N 0.50 -1.00 0.00 0.00 5.75 -1.44 -1.22 115.11 117.69 2crp h GLN 119 Ca 0.52 0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 59.07 2crp h GLN 119 Cb 0.89 0.23 -0.00 0.00 1.07 0.00 0.00 27.48 29.67 2crp h GLN 119 CO -0.46 -0.66 -0.08 1.57 -2.65 0.00 0.00 178.83 176.55 2crp h LYS 120 N -1.07 0.00 0.23 1.69 2.10 -0.61 -0.36 116.57 118.54 2crp h LYS 120 Ca -0.11 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.53 2crp h LYS 120 Cb 0.81 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 2crp h LYS 120 CO 0.18 0.08 -0.11 -0.09 -2.00 0.00 0.00 179.45 177.51 2crp h ARG 121 N 0.00 -0.29 -0.24 0.07 1.12 0.31 -2.19 114.38 113.16 2crp h ARG 121 Ca -0.00 0.02 -0.06 0.00 -1.11 0.00 0.00 59.98 58.83 2crp h ARG 121 Cb 0.17 0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.19 2crp h ARG 121 CO 0.01 0.03 -0.09 0.82 -3.11 0.00 0.00 179.97 177.63 2crp h ILE 122 N -0.64 1.29 -0.93 1.20 1.08 -0.98 -2.99 117.51 115.55 2crp h ILE 122 Ca -0.03 -1.14 0.16 0.00 -0.39 0.00 0.00 64.86 63.46 2crp h ILE 122 Cb 0.46 1.53 -0.08 0.00 -3.07 0.00 0.00 36.82 35.66 2crp h ILE 122 CO 0.05 0.35 0.59 -0.74 -0.69 0.00 0.00 178.15 177.72 2crp h HIS 123 N 0.22 0.85 0.00 1.37 2.76 -1.13 0.45 115.15 119.67 2crp h HIS 123 Ca 0.06 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 2crp h HIS 123 Cb 0.58 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 29.27 2crp h HIS 123 CO 0.06 0.28 -0.03 0.00 -1.30 0.00 0.00 177.93 176.94 2crp h ALA 124 N 1.60 1.00 0.11 5.26 0.00 -1.26 -2.73 119.26 123.24 2crp h ALA 124 Ca 0.48 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 55.08 2crp h ALA 124 Cb 0.80 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2crp h ALA 124 CO -0.24 0.04 -1.44 1.25 0.00 0.00 0.00 179.25 178.87 2crp h LEU 125 N 0.00 0.35 -0.06 0.00 5.85 -0.09 -3.14 115.31 118.22 2crp h LEU 125 Ca -0.00 -0.84 0.00 0.00 0.84 0.00 0.00 57.88 57.88 2crp h LEU 125 Cb 0.60 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2crp h LEU 125 CO 0.00 1.62 0.00 0.23 -0.34 0.00 0.00 178.44 179.96 2crp n MET 126 N -3.93 0.01 -0.02 1.25 0.00 0.03 0.11 117.12 114.58 2crp n MET 126 Ca -0.26 0.29 0.03 0.00 0.00 0.00 0.00 57.70 57.76 2crp n MET 126 Cb 0.89 -1.53 -0.14 0.00 0.00 0.00 0.00 33.22 32.45 2crp n MET 126 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 2crp n GLU 127 N -1.55 0.66 0.00 0.03 0.28 -1.03 0.28 120.64 119.30 2crp n GLU 127 Ca 0.03 -0.04 0.05 0.00 -0.16 0.00 0.00 57.16 57.04 2crp n GLU 127 Cb 0.15 -1.60 -0.01 0.00 1.43 0.00 0.00 31.44 31.41 2crp n GLU 127 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2crp n LYS 128 N -2.55 2.59 -0.00 3.44 -0.00 -0.86 -4.02 118.16 116.76 2crp n LYS 128 Ca -0.13 -0.44 -0.01 0.00 -0.00 0.00 0.00 58.31 57.73 2crp n LYS 128 Cb 0.79 -1.03 -0.00 0.00 -0.00 0.00 0.00 35.03 34.78 2crp n LYS 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2crp n ASP 129 N -0.51 0.52 -0.02 -5.58 2.03 0.31 -4.71 116.55 108.59 2crp n ASP 129 Ca 0.03 0.08 -0.05 0.00 0.52 0.00 0.00 54.79 55.37 2crp n ASP 129 Cb 0.19 -0.31 -0.04 0.00 -0.72 0.00 0.00 41.12 40.24 2crp n ASP 129 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2crp h SER 130 N -0.15 -0.07 -0.71 1.67 4.64 -1.64 -2.95 113.55 114.35 2crp h SER 130 Ca 0.00 -0.24 0.11 0.00 -0.47 0.00 0.00 61.79 61.20 2crp h SER 130 Cb 0.15 0.02 -0.12 0.00 -0.31 0.00 0.00 62.40 62.14 2crp h SER 130 CO 0.00 0.53 -0.27 -0.11 -0.87 0.00 0.00 176.83 176.11 2crp n LEU 131 N -4.80 -0.45 0.17 5.97 7.94 0.14 0.25 117.00 126.23 2crp n LEU 131 Ca -0.04 1.24 0.02 0.00 -1.11 0.00 0.00 56.01 56.12 2crp n LEU 131 Cb 0.15 -0.29 0.31 0.00 0.53 0.00 0.00 43.42 44.11 2crp n LEU 131 CO 0.11 -1.12 0.65 1.55 -1.11 0.00 0.00 177.39 177.47 2crp h PRO 132 N 0.00 0.00 0.00 1.96 0.13 -1.70 -2.53 132.00 129.85 2crp h PRO 132 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 2crp h PRO 132 Cb 0.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.56 2crp h PRO 132 CO -0.71 0.45 -0.39 0.54 -0.23 0.00 0.00 178.00 177.66 2crp n ARG 133 N -3.88 0.22 -0.09 0.86 5.12 0.71 -4.02 116.66 115.57 2crp n ARG 133 Ca -0.01 0.10 -0.18 0.00 -1.93 0.00 0.00 57.85 55.83 2crp n ARG 133 Cb 0.49 -1.67 -0.12 0.00 -1.16 0.00 0.00 32.46 29.99 2crp n ARG 133 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2crp h PHE 134 N 0.00 0.00 -0.66 -1.55 3.57 0.24 -3.30 116.94 115.24 2crp h PHE 134 Ca 0.00 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.69 2crp h PHE 134 Cb 0.69 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 2crp h PHE 134 CO 0.00 1.23 0.65 -0.39 -2.23 0.00 0.00 178.31 177.57 2crp h VAL 135 N -1.00 0.32 -0.04 1.41 -1.51 -1.60 0.24 116.25 114.06 2crp h VAL 135 Ca -0.18 0.00 -0.19 0.00 -1.23 0.00 0.00 66.70 65.10 2crp h VAL 135 Cb 1.14 0.50 0.01 0.00 -2.13 0.00 0.00 31.29 30.81 2crp h VAL 135 CO -0.11 0.00 -0.71 0.03 -1.23 0.00 0.00 177.57 175.55 2crp h ARG 136 N 0.00 0.56 -6.75 5.19 3.08 -1.70 -3.39 114.38 111.37 2crp h ARG 136 Ca 0.31 -0.54 -0.53 0.00 0.07 0.00 0.00 59.98 59.30 2crp h ARG 136 Cb 1.61 0.14 0.07 0.00 0.08 0.00 0.00 29.97 31.87 2crp h ARG 136 CO -0.00 1.17 0.94 -1.54 -1.07 0.00 0.00 179.97 179.46 2crp s SER 137 N -6.91 6.37 0.29 7.04 1.04 0.83 -4.81 113.70 117.54 2crp s SER 137 Ca -0.12 2.92 0.13 0.00 0.48 0.00 0.00 55.95 59.37 2crp s SER 137 Cb 0.05 -2.62 0.98 0.00 0.10 0.00 0.00 66.02 64.53 2crp s SER 137 CO 0.86 -0.94 1.26 -1.84 0.98 0.00 0.00 173.24 173.56 2crp n GLU 138 N 2.88 -0.05 -0.23 4.02 0.00 -1.26 0.11 120.64 126.11 2crp n GLU 138 Ca 0.11 1.13 0.16 0.00 0.00 0.00 0.00 57.16 58.56 2crp n GLU 138 Cb 0.36 -1.97 0.31 0.00 0.00 0.00 0.00 31.44 30.14 2crp n GLU 138 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2crp n PHE 139 N -4.88 0.62 0.04 -1.84 3.72 -1.26 0.14 117.46 114.01 2crp n PHE 139 Ca 0.28 0.82 -0.20 0.00 -0.05 0.00 0.00 57.45 58.30 2crp n PHE 139 Cb 0.94 -1.13 -0.14 0.00 -0.94 0.00 0.00 39.48 38.21 2crp n PHE 139 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 2crp h TYR 140 N 0.00 0.51 -1.05 1.38 5.03 -0.52 -3.21 116.97 119.11 2crp h TYR 140 Ca 0.50 -0.38 0.27 0.00 2.58 0.00 0.00 58.73 61.71 2crp h TYR 140 Cb 1.21 -0.02 -0.08 0.00 1.55 0.00 0.00 36.73 39.38 2crp h TYR 140 CO -0.18 1.32 0.69 1.96 -1.32 0.00 0.00 178.16 180.63 2crp h GLN 141 N -0.40 0.31 0.00 1.82 1.08 0.13 0.81 115.11 118.86 2crp h GLN 141 Ca -0.15 -0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 56.93 2crp h GLN 141 Cb 1.63 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.97 2crp h GLN 141 CO 0.14 0.20 -0.48 1.05 -0.95 0.00 0.00 178.83 178.79 2crp h GLU 142 N 0.32 0.00 -0.14 1.46 4.11 -1.07 0.50 114.58 119.75 2crp h GLU 142 Ca 0.58 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.87 2crp h GLU 142 Cb 1.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 2crp h GLU 142 CO -0.24 0.48 -0.49 -0.07 0.07 0.00 0.00 179.01 178.76 2crp h LEU 143 N 0.00 0.39 0.00 3.06 3.38 0.61 -0.12 115.31 122.63 2crp h LEU 143 Ca -0.00 -0.19 -0.39 0.00 0.09 0.00 0.00 57.88 57.38 2crp h LEU 143 Cb 1.25 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.82 2crp h LEU 143 CO 0.06 0.82 -2.46 2.30 0.09 0.00 0.00 178.44 179.26 2crp n ILE 144 N -3.97 1.47 0.08 1.22 -5.35 -0.82 -4.45 119.36 107.54 2crp n ILE 144 Ca -0.02 -0.55 -0.04 0.00 -0.27 0.00 0.00 62.75 61.88 2crp n ILE 144 Cb 0.55 -1.44 0.18 0.00 -1.74 0.00 0.00 39.64 37.19 2crp n ILE 144 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2crp h SER 145 N -0.07 0.31 -0.50 7.28 0.87 -0.11 -3.42 113.55 117.90 2crp h SER 145 Ca -0.58 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 59.84 2crp h SER 145 Cb 1.86 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.74 2crp h SER 145 CO -0.11 0.73 0.00 0.61 -0.53 0.00 0.00 176.83 177.53 2crp n GLY 146 N -0.03 -3.04 3.56 5.77 0.00 -0.06 -4.72 105.19 106.67 2crp n GLY 146 Ca -0.02 -1.01 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 2crp n GLY 146 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crp s PRO 147 N -1.51 2.56 -0.29 1.61 0.04 -1.26 -4.83 135.00 131.31 2crp s PRO 147 Ca 0.00 -0.40 -0.21 0.00 0.04 0.00 0.00 61.00 60.43 2crp s PRO 147 Cb 0.00 -5.09 0.17 0.00 0.04 0.00 0.00 34.50 29.62 2crp s PRO 147 CO 0.00 -3.44 1.18 -1.54 0.04 0.00 0.00 177.00 173.25 2crp s SER 148 N 7.82 -0.27 0.33 6.66 1.04 -1.26 -4.86 113.70 123.16 2crp s SER 148 Ca 0.70 0.47 -0.15 0.00 0.48 0.00 0.00 55.95 57.45 2crp s SER 148 Cb -0.06 0.78 0.03 0.00 0.10 0.00 0.00 66.02 66.87 2crp s SER 148 CO 0.01 -0.08 0.67 -0.55 0.98 0.00 0.00 173.24 174.27 2crp s SER 149 N 0.64 0.06 0.00 7.02 0.15 -1.26 -4.46 113.70 115.84 2crp s SER 149 Ca -0.01 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 55.62 2crp s SER 149 Cb -0.04 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 65.02 2crp s SER 149 CO -0.12 -1.45 0.00 0.61 1.20 0.00 0.00 173.24 173.48