#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr4 n SER 2 N 0.00 -3.01 -4.26 1.61 7.64 -1.26 -4.93 113.62 109.42 2cr4 n SER 2 Ca 0.00 0.62 -0.39 0.00 1.01 0.00 0.00 58.87 60.12 2cr4 n SER 2 Cb 0.00 -0.96 -0.11 0.00 -1.01 0.00 0.00 64.21 62.13 2cr4 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cr4 s SER 3 N -1.10 5.44 0.00 6.43 0.15 -1.26 -4.98 113.70 118.39 2cr4 s SER 3 Ca 0.59 -1.38 0.00 0.00 0.70 0.00 0.00 55.95 55.86 2cr4 s SER 3 Cb -0.44 -1.91 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 2cr4 s SER 3 CO 0.64 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 175.26 2cr4 n GLY 4 N 4.83 1.02 3.60 9.45 0.00 -1.26 -5.10 105.19 117.73 2cr4 n GLY 4 Ca -0.10 0.52 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 2cr4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr4 s SER 5 N 0.00 5.66 0.29 1.61 0.01 -1.26 -4.96 113.70 115.06 2cr4 s SER 5 Ca 0.00 1.43 -0.28 0.00 1.31 0.00 0.00 55.95 58.41 2cr4 s SER 5 Cb 0.00 -2.52 -0.09 0.00 0.21 0.00 0.00 66.02 63.61 2cr4 s SER 5 CO 0.00 -1.87 0.95 -0.44 0.41 0.00 0.00 173.24 172.29 2cr4 s SER 6 N 7.13 7.45 0.00 2.44 0.01 -1.26 -4.95 113.70 124.52 2cr4 s SER 6 Ca 0.86 1.90 0.00 0.00 1.31 0.00 0.00 55.95 60.03 2cr4 s SER 6 Cb -0.25 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.39 2cr4 s SER 6 CO 0.33 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.60 2cr4 n GLY 7 N 0.95 3.53 3.86 3.44 0.00 -1.26 -5.13 105.19 110.58 2cr4 n GLY 7 Ca 0.00 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 2cr4 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cr4 s GLU 8 N -4.23 3.70 -0.68 1.61 0.41 -1.26 -5.03 118.70 113.22 2cr4 s GLU 8 Ca 0.00 0.79 -0.09 0.00 -0.41 0.00 0.00 54.97 55.27 2cr4 s GLU 8 Cb 0.00 -2.11 0.18 0.00 -1.78 0.00 0.00 34.13 30.42 2cr4 s GLU 8 CO 0.00 -0.47 0.56 0.16 -0.49 0.00 0.00 175.26 175.02 2cr4 s ASP 9 N -3.85 5.93 -0.32 -0.19 -4.77 -1.26 -5.00 116.67 107.22 2cr4 s ASP 9 Ca 0.56 -2.63 -0.01 0.00 -3.30 0.00 0.00 52.55 47.17 2cr4 s ASP 9 Cb -0.11 -2.03 0.10 0.00 -1.09 0.00 0.00 42.92 39.80 2cr4 s ASP 9 CO 0.47 -0.51 0.11 -0.31 0.70 0.00 0.00 175.17 175.63 2cr4 s TYR 10 N 0.28 1.54 0.00 2.11 1.51 -1.26 -4.91 117.35 116.62 2cr4 s TYR 10 Ca 0.15 -1.68 0.00 0.00 -1.01 0.00 0.00 57.07 54.54 2cr4 s TYR 10 Cb -0.17 -1.61 0.00 0.00 -0.11 0.00 0.00 41.96 40.06 2cr4 s TYR 10 CO -0.05 -0.87 0.00 -0.85 -1.11 0.00 0.00 175.55 172.67 2cr4 n GLU 11 N 4.80 2.26 0.00 -0.62 0.00 -1.26 -4.70 120.64 121.12 2cr4 n GLU 11 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.21 2cr4 n GLU 11 Cb 0.41 -0.78 0.39 0.00 0.00 0.00 0.00 31.44 31.46 2cr4 n GLU 11 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2cr4 n LYS 12 N -1.32 0.36 -1.73 3.44 4.76 -1.26 -4.80 118.16 117.61 2cr4 n LYS 12 Ca 0.00 0.05 -0.38 0.00 -2.87 0.00 0.00 58.31 55.11 2cr4 n LYS 12 Cb 0.27 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 32.01 2cr4 n LYS 12 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2cr4 n VAL 13 N -1.09 4.27 0.05 -0.18 0.24 -1.26 -4.96 118.33 115.40 2cr4 n VAL 13 Ca 0.09 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.34 61.77 2cr4 n VAL 13 Cb 0.07 -1.55 -0.09 0.00 -1.47 0.00 0.00 33.84 30.80 2cr4 n VAL 13 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2cr4 h PRO 14 N 1.00 -0.16 -4.22 7.34 0.13 -2.01 -3.40 132.00 130.68 2cr4 h PRO 14 Ca -0.51 0.01 -0.65 0.00 -0.87 0.00 0.00 66.00 63.98 2cr4 h PRO 14 Cb 1.32 0.04 -0.40 0.00 0.13 0.00 0.00 31.00 32.09 2cr4 h PRO 14 CO 0.55 0.26 -0.69 -0.51 -0.23 0.00 0.00 178.00 177.38 2cr4 s LEU 15 N -9.24 4.55 0.18 1.56 2.01 -1.26 -4.94 118.68 111.54 2cr4 s LEU 15 Ca -0.15 -2.44 -0.30 0.00 0.01 0.00 0.00 54.13 51.25 2cr4 s LEU 15 Cb 0.01 -1.61 -0.08 0.00 0.01 0.00 0.00 46.19 44.52 2cr4 s LEU 15 CO 0.59 -0.33 1.32 -2.16 1.01 0.00 0.00 176.35 176.77 2cr4 s PRO 16 N 0.52 4.38 0.66 1.29 0.04 -1.26 -4.86 135.00 135.75 2cr4 s PRO 16 Ca 0.13 2.04 0.17 0.00 0.04 0.00 0.00 61.00 63.38 2cr4 s PRO 16 Cb -0.21 -3.21 0.87 0.00 0.04 0.00 0.00 34.50 31.98 2cr4 s PRO 16 CO -0.06 -0.28 1.48 -0.97 0.04 0.00 0.00 177.00 177.21 2cr4 h ASN 17 N 5.71 0.00 0.02 6.66 -0.73 -1.98 -0.80 115.58 124.45 2cr4 h ASN 17 Ca -0.44 0.00 0.03 0.00 1.87 0.00 0.00 56.30 57.76 2cr4 h ASN 17 Cb 1.21 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.76 2cr4 h ASN 17 CO 0.79 0.00 -0.31 0.28 -0.37 0.00 0.00 177.43 177.82 2cr4 h SER 18 N 0.00 -0.92 -0.27 1.15 0.02 -1.89 -0.06 113.55 111.58 2cr4 h SER 18 Ca 0.04 0.12 0.08 0.00 -0.84 0.00 0.00 61.79 61.19 2cr4 h SER 18 Cb 1.41 0.37 -0.01 0.00 0.14 0.00 0.00 62.40 64.30 2cr4 h SER 18 CO -0.00 -0.38 0.27 -0.37 -1.14 0.00 0.00 176.83 175.21 2cr4 h VAL 19 N -0.47 0.53 -3.07 2.27 -1.51 -1.11 -3.38 116.25 109.51 2cr4 h VAL 19 Ca 0.06 0.00 -0.58 0.00 -1.23 0.00 0.00 66.70 64.95 2cr4 h VAL 19 Cb 0.55 0.79 -0.10 0.00 -2.13 0.00 0.00 31.29 30.40 2cr4 h VAL 19 CO -0.25 0.00 0.79 -0.36 -1.23 0.00 0.00 177.57 176.52 2cr4 s PHE 20 N -4.72 2.65 -0.07 5.19 0.40 -0.04 0.00 117.98 121.40 2cr4 s PHE 20 Ca -0.05 0.13 -0.01 0.00 -0.60 0.00 0.00 56.93 56.40 2cr4 s PHE 20 Cb 0.16 -4.33 -0.03 0.00 0.51 0.00 0.00 43.02 39.32 2cr4 s PHE 20 CO 0.58 -1.55 -0.00 0.54 0.70 0.00 0.00 175.22 175.49 2cr4 s VAL 21 N 4.57 4.25 -0.14 -0.44 0.11 -0.85 -4.95 120.40 122.95 2cr4 s VAL 21 Ca 0.36 -0.34 0.01 0.00 -2.93 0.00 0.00 61.98 59.08 2cr4 s VAL 21 Cb -0.10 -2.81 0.13 0.00 -1.53 0.00 0.00 36.38 32.07 2cr4 s VAL 21 CO 0.21 0.55 1.15 -3.20 -3.33 0.00 0.00 175.10 170.48 2cr4 n ASN 22 N 1.97 3.06 -4.72 3.54 2.85 -1.26 -4.05 115.26 116.64 2cr4 n ASN 22 Ca -0.18 -2.30 -0.35 0.00 -0.11 0.00 0.00 54.58 51.64 2cr4 n ASN 22 Cb 0.53 -0.56 -0.08 0.00 1.24 0.00 0.00 39.78 40.91 2cr4 n ASN 22 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2cr4 s THR 23 N -0.69 4.96 -0.41 -0.44 -1.32 -1.26 -4.99 115.64 111.49 2cr4 s THR 23 Ca 0.11 0.01 0.05 0.00 -1.21 0.00 0.00 61.69 60.65 2cr4 s THR 23 Cb 0.09 -3.19 0.52 0.00 -1.51 0.00 0.00 72.50 68.42 2cr4 s THR 23 CO 0.02 0.53 1.64 0.35 -2.21 0.00 0.00 174.62 174.96 2cr4 n THR 24 N 2.79 2.92 -3.91 5.08 -2.24 -1.26 -2.78 114.28 114.89 2cr4 n THR 24 Ca -0.18 -2.84 -0.09 0.00 -2.27 0.00 0.00 64.05 58.67 2cr4 n THR 24 Cb 0.53 -0.65 -0.08 0.00 -2.10 0.00 0.00 70.33 68.03 2cr4 n THR 24 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2cr4 s GLU 25 N -3.44 0.76 -0.15 -0.78 2.02 -1.26 -4.79 118.70 111.05 2cr4 s GLU 25 Ca 0.53 -0.94 -0.14 0.00 0.02 0.00 0.00 54.97 54.43 2cr4 s GLU 25 Cb 0.45 0.30 -0.24 0.00 0.10 0.00 0.00 34.13 34.74 2cr4 s GLU 25 CO 0.03 -0.22 0.33 0.66 0.02 0.00 0.00 175.26 176.08 2cr4 h SER 26 N 3.00 0.25 -1.00 -0.19 4.64 -1.97 -3.33 113.55 114.96 2cr4 h SER 26 Ca -0.34 -0.76 0.37 0.00 -0.47 0.00 0.00 61.79 60.59 2cr4 h SER 26 Cb 1.19 -0.08 -0.17 0.00 -0.31 0.00 0.00 62.40 63.03 2cr4 h SER 26 CO 0.56 1.69 0.54 0.00 -0.87 0.00 0.00 176.83 178.75 2cr4 h GLU 28 N 0.16 -0.32 -0.76 0.00 4.57 -2.01 -3.12 114.58 113.09 2cr4 h GLU 28 Ca 0.79 0.02 0.10 0.00 -1.18 0.00 0.00 59.36 59.09 2cr4 h GLU 28 Cb 1.95 0.07 -0.11 0.00 -0.16 0.00 0.00 28.75 30.50 2cr4 h GLU 28 CO -0.69 -0.22 -0.36 0.28 -1.18 0.00 0.00 179.01 176.84 2cr4 n VAL 29 N -3.61 -0.45 -0.35 0.32 0.31 -0.62 0.22 118.33 114.15 2cr4 n VAL 29 Ca -0.04 1.81 0.14 0.00 -0.01 0.00 0.00 64.34 66.24 2cr4 n VAL 29 Cb 0.13 -2.33 0.33 0.00 -0.91 0.00 0.00 33.84 31.06 2cr4 n VAL 29 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2cr4 h GLU 30 N 0.00 0.68 0.21 5.55 4.81 -1.44 -1.18 114.58 123.21 2cr4 h GLU 30 Ca 0.21 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2cr4 h GLU 30 Cb 0.40 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2cr4 h GLU 30 CO -0.74 0.45 -0.10 -0.09 -0.73 0.00 0.00 179.01 177.80 2cr4 h ARG 31 N 0.70 -0.27 -0.10 1.92 2.43 0.27 -3.21 114.38 116.12 2cr4 h ARG 31 Ca 0.59 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.81 2cr4 h ARG 31 Cb 0.96 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.51 2cr4 h ARG 31 CO -0.41 0.04 -0.45 -0.07 -1.51 0.00 0.00 179.97 177.57 2cr4 h LEU 32 N -0.59 -1.40 -0.68 3.80 3.38 -0.17 -1.68 115.31 117.97 2cr4 h LEU 32 Ca -0.03 0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.18 2cr4 h LEU 32 Cb 0.43 0.56 -0.08 0.00 0.09 0.00 0.00 40.66 41.66 2cr4 h LEU 32 CO 0.05 -0.45 -0.40 0.49 0.09 0.00 0.00 178.44 178.22 2cr4 n PHE 33 N -5.44 -0.30 -0.04 1.13 3.01 -0.54 0.21 117.46 115.49 2cr4 n PHE 33 Ca -0.05 0.85 0.12 0.00 1.01 0.00 0.00 57.45 59.38 2cr4 n PHE 33 Cb 0.37 -0.54 0.53 0.00 -0.01 0.00 0.00 39.48 39.83 2cr4 n PHE 33 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 2cr4 h LYS 34 N 0.00 0.32 0.45 -1.08 1.57 -1.47 -2.49 116.57 113.88 2cr4 h LYS 34 Ca 0.11 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2cr4 h LYS 34 Cb 0.28 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2cr4 h LYS 34 CO -0.64 0.21 -0.22 0.00 -0.57 0.00 0.00 179.45 178.24 2cr4 h ALA 35 N 1.73 -0.61 -1.07 3.86 0.00 0.34 -2.93 119.26 120.59 2cr4 h ALA 35 Ca 0.24 -0.17 0.37 0.00 0.00 0.00 0.00 54.91 55.35 2cr4 h ALA 35 Cb 0.52 0.24 -0.15 0.00 0.00 0.00 0.00 17.79 18.40 2cr4 h ALA 35 CO -0.06 -0.76 0.63 1.79 0.00 0.00 0.00 179.25 180.85 2cr4 h THR 36 N -0.77 0.19 -3.59 0.00 1.35 -0.45 -3.39 112.91 106.25 2cr4 h THR 36 Ca -0.06 -0.07 -0.51 0.00 -0.55 0.00 0.00 66.41 65.22 2cr4 h THR 36 Cb 0.54 -0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.95 2cr4 h THR 36 CO 0.10 0.04 0.47 -0.44 -0.25 0.00 0.00 175.52 175.44 2cr4 s SER 37 N -4.73 7.29 0.20 5.36 0.01 -1.11 -4.93 113.70 115.80 2cr4 s SER 37 Ca -0.09 2.09 0.21 0.00 1.31 0.00 0.00 55.95 59.48 2cr4 s SER 37 Cb 0.31 -2.61 0.90 0.00 0.21 0.00 0.00 66.02 64.83 2cr4 s SER 37 CO 0.79 -0.20 1.65 -0.81 0.41 0.00 0.00 173.24 175.09 2cr4 n PRO 38 N 2.24 0.15 -0.47 12.44 -0.04 -1.26 -2.19 135.00 145.87 2cr4 n PRO 38 Ca 0.02 0.39 0.08 0.00 -0.04 0.00 0.00 63.50 63.96 2cr4 n PRO 38 Cb 0.46 -1.79 0.27 0.00 -0.04 0.00 0.00 33.50 32.40 2cr4 n PRO 38 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2cr4 n ARG 39 N -2.07 3.05 -2.07 0.54 1.74 -1.26 -4.94 116.66 111.65 2cr4 n ARG 39 Ca 0.02 -2.84 -0.14 0.00 -0.77 0.00 0.00 57.85 54.12 2cr4 n ARG 39 Cb 0.21 -1.85 -0.03 0.00 -1.02 0.00 0.00 32.46 29.77 2cr4 n ARG 39 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cr4 n GLY 40 N -0.39 0.17 2.66 -0.13 0.00 -0.93 -4.93 105.19 101.64 2cr4 n GLY 40 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 2cr4 n GLY 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2cr4 s GLU 41 N -4.39 -0.02 0.77 1.61 -1.05 -1.24 -4.81 118.70 109.58 2cr4 s GLU 41 Ca 0.00 0.23 -0.11 0.00 -0.15 0.00 0.00 54.97 54.95 2cr4 s GLU 41 Cb 0.00 -0.96 0.06 0.00 -0.44 0.00 0.00 34.13 32.79 2cr4 s GLU 41 CO 0.00 -0.45 1.09 -1.25 0.95 0.00 0.00 175.26 175.60 2cr4 s PRO 42 N 2.17 2.27 0.20 -4.83 0.04 -1.26 -4.75 135.00 128.84 2cr4 s PRO 42 Ca 0.04 1.18 0.01 0.00 0.04 0.00 0.00 61.00 62.27 2cr4 s PRO 42 Cb -0.13 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2cr4 s PRO 42 CO -0.05 -1.63 0.37 -0.65 0.04 0.00 0.00 177.00 175.07 2cr4 s GLN 43 N -4.87 3.48 -0.09 4.56 -1.52 -1.26 -5.01 119.66 114.95 2cr4 s GLN 43 Ca 0.61 -0.47 -0.29 0.00 -1.95 0.00 0.00 55.36 53.26 2cr4 s GLN 43 Cb -0.17 -2.87 -0.06 0.00 -0.22 0.00 0.00 33.01 29.69 2cr4 s GLN 43 CO 0.56 0.42 1.86 0.34 -0.25 0.00 0.00 175.29 178.21 2cr4 s ASP 44 N -3.38 6.30 0.00 5.90 -1.08 -1.26 -2.15 116.67 120.99 2cr4 s ASP 44 Ca 0.37 2.18 0.00 0.00 -0.52 0.00 0.00 52.55 54.58 2cr4 s ASP 44 Cb -0.11 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.83 2cr4 s ASP 44 CO 0.29 -1.24 0.00 0.61 0.52 0.00 0.00 175.17 175.35 2cr4 n GLY 45 N 4.70 1.18 3.55 2.66 0.00 -1.24 -4.70 105.19 111.33 2cr4 n GLY 45 Ca 0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 2cr4 n GLY 45 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2cr4 n LEU 46 N 0.00 2.78 -4.51 0.99 7.94 -0.92 -3.45 117.00 119.85 2cr4 n LEU 46 Ca 0.00 0.17 -0.25 0.00 -1.11 0.00 0.00 56.01 54.83 2cr4 n LEU 46 Cb 0.00 -1.47 -0.10 0.00 0.53 0.00 0.00 43.42 42.38 2cr4 n LEU 46 CO 0.00 -0.81 -0.40 -0.72 -1.11 0.00 0.00 177.39 174.36 2cr4 s TYR 47 N 8.52 2.29 0.21 1.96 1.13 -0.80 0.15 117.35 130.82 2cr4 s TYR 47 Ca 1.04 -0.51 -0.10 0.00 -1.41 0.00 0.00 57.07 56.09 2cr4 s TYR 47 Cb -0.48 -1.26 0.04 0.00 -1.10 0.00 0.00 41.96 39.16 2cr4 s TYR 47 CO 0.38 0.55 0.53 0.00 -2.51 0.00 0.00 175.55 174.50 2cr4 s ILE 49 N -2.39 0.13 0.52 0.00 1.01 0.10 -1.94 121.20 118.62 2cr4 s ILE 49 Ca 0.11 -0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.55 2cr4 s ILE 49 Cb -0.03 -0.71 0.02 0.00 0.01 0.00 0.00 42.46 41.76 2cr4 s ILE 49 CO 0.06 -0.22 0.36 0.00 0.00 0.00 0.00 174.94 175.14 2cr4 s ARG 50 N 2.04 2.28 0.44 2.79 1.70 -1.17 -2.00 118.95 125.02 2cr4 s ARG 50 Ca 0.01 -1.97 -0.06 0.00 -0.47 0.00 0.00 55.73 53.24 2cr4 s ARG 50 Cb -0.16 -2.09 -0.04 0.00 -0.57 0.00 0.00 34.95 32.09 2cr4 s ARG 50 CO -0.08 -0.52 0.74 -0.80 -1.08 0.00 0.00 175.30 173.57 2cr4 s ASN 51 N -4.21 6.34 0.17 -2.89 0.01 -1.12 -1.83 114.94 111.41 2cr4 s ASN 51 Ca 0.35 0.92 0.06 0.00 -0.71 0.00 0.00 52.86 53.48 2cr4 s ASN 51 Cb -0.02 -2.24 -0.04 0.00 0.41 0.00 0.00 41.25 39.37 2cr4 s ASN 51 CO 0.21 -0.48 0.07 -0.55 -1.51 0.00 0.00 177.10 174.84 2cr4 s SER 52 N -3.80 5.17 0.30 -1.22 0.15 -0.95 -4.61 113.70 108.74 2cr4 s SER 52 Ca 0.47 -0.26 0.04 0.00 0.70 0.00 0.00 55.95 56.91 2cr4 s SER 52 Cb -0.10 -1.24 0.79 0.00 -1.71 0.00 0.00 66.02 63.75 2cr4 s SER 52 CO 0.40 0.08 1.63 -1.28 1.20 0.00 0.00 173.24 175.27 2cr4 h SER 53 N 2.54 -0.01 -2.26 5.45 0.87 -1.91 -3.42 113.55 114.81 2cr4 h SER 53 Ca -0.47 0.21 -0.48 0.00 -1.23 0.00 0.00 61.79 59.82 2cr4 h SER 53 Cb 1.20 0.29 0.24 0.00 -0.44 0.00 0.00 62.40 63.69 2cr4 h SER 53 CO 0.61 -0.20 -1.34 0.35 -0.53 0.00 0.00 176.83 175.71 2cr4 n THR 54 N -5.25 0.00 0.48 2.23 -2.24 -1.26 -4.92 114.28 103.33 2cr4 n THR 54 Ca 0.23 -0.24 -0.19 0.00 -2.27 0.00 0.00 64.05 61.58 2cr4 n THR 54 Cb 0.76 -0.46 -0.09 0.00 -2.10 0.00 0.00 70.33 68.44 2cr4 n THR 54 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2cr4 h LYS 55 N -1.71 -1.19 -4.37 -0.78 1.79 -2.05 -3.41 116.57 104.85 2cr4 h LYS 55 Ca -0.49 0.08 -0.63 0.00 -2.18 0.00 0.00 60.65 57.44 2cr4 h LYS 55 Cb 1.35 0.27 -0.39 0.00 -1.58 0.00 0.00 32.23 31.88 2cr4 h LYS 55 CO 0.33 -0.79 -0.76 0.45 -1.08 0.00 0.00 179.45 177.60 2cr4 s SER 56 N -4.13 4.24 -0.16 0.86 0.15 -1.26 -4.98 113.70 108.41 2cr4 s SER 56 Ca -0.18 -1.60 -0.34 0.00 0.70 0.00 0.00 55.95 54.53 2cr4 s SER 56 Cb 0.02 -1.30 0.13 0.00 -1.71 0.00 0.00 66.02 63.16 2cr4 s SER 56 CO 0.56 -0.31 1.15 -0.83 1.20 0.00 0.00 173.24 175.01 2cr4 s GLY 57 N 1.25 -0.32 0.15 9.45 0.00 -1.26 -5.05 107.32 111.53 2cr4 s GLY 57 Ca 0.02 1.50 0.06 0.00 0.00 0.00 0.00 44.72 46.30 2cr4 s GLY 57 CO -0.10 0.50 -0.12 0.54 0.00 0.00 0.00 173.10 173.92 2cr4 s LYS 58 N -2.54 1.11 -0.09 2.90 -0.14 -1.26 -2.23 119.74 117.50 2cr4 s LYS 58 Ca 0.09 -1.43 -0.03 0.00 -1.36 0.00 0.00 55.97 53.24 2cr4 s LYS 58 Cb -0.01 -0.81 0.04 0.00 -1.68 0.00 0.00 37.83 35.37 2cr4 s LYS 58 CO -0.05 0.13 0.08 0.08 -0.76 0.00 0.00 175.35 174.82 2cr4 s VAL 59 N -2.94 -0.12 -0.14 3.17 1.01 -0.76 -1.39 120.40 119.23 2cr4 s VAL 59 Ca 0.16 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 62.06 2cr4 s VAL 59 Cb -0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 2cr4 s VAL 59 CO 0.03 0.01 1.54 -0.22 0.00 0.00 0.00 175.10 176.46 2cr4 s LEU 60 N 2.17 4.15 -0.18 3.92 2.96 0.17 -3.02 118.68 128.85 2cr4 s LEU 60 Ca 0.04 1.89 -0.02 0.00 -0.22 0.00 0.00 54.13 55.81 2cr4 s LEU 60 Cb -0.13 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.01 2cr4 s LEU 60 CO -0.05 -0.99 -0.08 -0.69 -1.32 0.00 0.00 176.35 173.22 2cr4 s VAL 61 N 4.27 3.30 0.15 1.68 1.01 -0.82 -0.04 120.40 129.95 2cr4 s VAL 61 Ca 0.68 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 62.21 2cr4 s VAL 61 Cb -0.27 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2cr4 s VAL 61 CO 0.26 0.47 -0.15 -0.69 0.00 0.00 0.00 175.10 174.98 2cr4 s VAL 62 N 0.95 2.94 -0.03 2.92 1.01 -1.26 -0.36 120.40 126.56 2cr4 s VAL 62 Ca -0.01 -1.62 -0.14 0.00 0.00 0.00 0.00 61.98 60.21 2cr4 s VAL 62 Cb -0.15 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 2cr4 s VAL 62 CO 0.00 -0.01 0.36 0.86 0.00 0.00 0.00 175.10 176.31 2cr4 s TRP 63 N -1.43 3.68 -0.37 5.22 -0.11 0.40 -0.81 118.94 125.51 2cr4 s TRP 63 Ca 0.21 0.90 -0.04 0.00 1.22 0.00 0.00 56.10 58.38 2cr4 s TRP 63 Cb -0.10 -2.25 0.08 0.00 -1.50 0.00 0.00 33.47 29.70 2cr4 s TRP 63 CO 0.12 0.61 0.15 0.34 -4.62 0.00 0.00 176.95 173.55 2cr4 s ASP 64 N -0.90 5.25 0.19 5.86 -1.08 0.11 -3.72 116.67 122.37 2cr4 s ASP 64 Ca 0.22 -1.60 -0.03 0.00 -0.52 0.00 0.00 52.55 50.62 2cr4 s ASP 64 Cb -0.16 -1.84 0.10 0.00 -1.46 0.00 0.00 42.92 39.57 2cr4 s ASP 64 CO 0.11 -0.44 1.49 -0.08 0.52 0.00 0.00 175.17 176.77 2cr4 h GLU 65 N 8.13 0.51 -0.29 4.34 4.22 -1.88 1.95 114.58 131.56 2cr4 h GLU 65 Ca -0.19 -0.34 -0.09 0.00 0.08 0.00 0.00 59.36 58.83 2cr4 h GLU 65 Cb 1.06 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2cr4 h GLU 65 CO 0.65 0.96 -0.19 1.79 -2.18 0.00 0.00 179.01 180.04 2cr4 h THR 66 N 0.38 1.25 0.00 0.32 1.35 -1.96 -3.09 112.91 111.16 2cr4 h THR 66 Ca -0.00 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 2cr4 h THR 66 Cb 1.14 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 2cr4 h THR 66 CO 0.11 0.38 -1.58 -1.20 -0.25 0.00 0.00 175.52 172.98 2cr4 n SER 67 N -4.16 0.67 -3.04 5.36 7.64 -1.18 -5.00 113.62 113.92 2cr4 n SER 67 Ca 0.00 -0.29 -0.17 0.00 1.01 0.00 0.00 58.87 59.42 2cr4 n SER 67 Cb 0.37 1.61 0.07 0.00 -1.01 0.00 0.00 64.21 65.25 2cr4 n SER 67 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2cr4 n ASN 68 N -1.95 -4.12 -2.05 6.43 2.85 0.65 -5.00 115.26 112.07 2cr4 n ASN 68 Ca -0.01 -0.47 -0.08 0.00 -0.11 0.00 0.00 54.58 53.90 2cr4 n ASN 68 Cb 0.44 -4.29 -0.02 0.00 1.24 0.00 0.00 39.78 37.15 2cr4 n ASN 68 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 2cr4 n LYS 69 N -3.97 0.36 -4.51 1.20 2.85 -0.69 -4.97 118.16 108.43 2cr4 n LYS 69 Ca -0.10 -1.48 -0.31 0.00 -1.05 0.00 0.00 58.31 55.38 2cr4 n LYS 69 Cb 0.59 1.40 -0.12 0.00 -0.65 0.00 0.00 35.03 36.26 2cr4 n LYS 69 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2cr4 s VAL 70 N -2.64 3.08 0.35 0.58 -7.23 -1.26 0.06 120.40 113.35 2cr4 s VAL 70 Ca 0.16 -1.14 0.05 0.00 -1.81 0.00 0.00 61.98 59.23 2cr4 s VAL 70 Cb -0.00 -2.35 0.05 0.00 0.56 0.00 0.00 36.38 34.64 2cr4 s VAL 70 CO 0.11 0.29 0.40 0.54 -0.31 0.00 0.00 175.10 176.13 2cr4 n ARG 71 N 1.33 0.85 -3.71 4.82 5.12 0.01 -4.95 116.66 120.12 2cr4 n ARG 71 Ca -0.15 -1.99 -0.14 0.00 -1.93 0.00 0.00 57.85 53.63 2cr4 n ARG 71 Cb 0.52 -0.01 -0.14 0.00 -1.16 0.00 0.00 32.46 31.68 2cr4 n ARG 71 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 2cr4 s ASN 72 N -3.12 0.10 -0.37 0.55 0.01 -1.26 -4.12 114.94 106.73 2cr4 s ASN 72 Ca 0.30 0.40 0.00 0.00 -0.71 0.00 0.00 52.86 52.86 2cr4 s ASN 72 Cb -0.02 0.33 0.12 0.00 0.41 0.00 0.00 41.25 42.08 2cr4 s ASN 72 CO 0.19 -0.19 0.18 -0.31 -1.51 0.00 0.00 177.10 175.46 2cr4 s TYR 73 N 1.60 1.49 0.20 2.20 2.02 0.94 -4.99 117.35 120.81 2cr4 s TYR 73 Ca -0.05 -1.91 -0.33 0.00 -0.37 0.00 0.00 57.07 54.41 2cr4 s TYR 73 Cb -0.11 -1.55 -0.13 0.00 -0.40 0.00 0.00 41.96 39.76 2cr4 s TYR 73 CO -0.07 -0.83 1.57 0.54 -1.57 0.00 0.00 175.55 175.19 2cr4 n ARG 74 N 4.22 2.29 -3.58 -0.62 1.74 -1.26 0.43 116.66 119.87 2cr4 n ARG 74 Ca 0.05 0.82 -0.41 0.00 -0.77 0.00 0.00 57.85 57.54 2cr4 n ARG 74 Cb 0.38 -2.58 -0.10 0.00 -1.02 0.00 0.00 32.46 29.13 2cr4 n ARG 74 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2cr4 s ILE 75 N 0.66 4.48 0.69 0.55 1.01 -0.49 -4.36 121.20 123.74 2cr4 s ILE 75 Ca 0.74 -1.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 2cr4 s ILE 75 Cb -0.62 -3.63 0.10 0.00 0.01 0.00 0.00 42.46 38.32 2cr4 s ILE 75 CO 0.40 -0.40 0.96 -0.36 0.00 0.00 0.00 174.94 175.54 2cr4 s PHE 76 N 1.50 2.00 -0.19 3.97 0.08 0.67 -4.25 117.98 121.76 2cr4 s PHE 76 Ca 0.02 -0.13 -0.02 0.00 0.12 0.00 0.00 56.93 56.93 2cr4 s PHE 76 Cb -0.21 -3.00 0.06 0.00 -0.57 0.00 0.00 43.02 39.29 2cr4 s PHE 76 CO 0.05 -1.53 0.01 -2.00 -0.10 0.00 0.00 175.22 171.65 2cr4 s GLU 77 N -5.09 0.88 -0.03 0.44 2.12 -1.26 -2.30 118.70 113.45 2cr4 s GLU 77 Ca 0.64 -0.48 -0.03 0.00 0.36 0.00 0.00 54.97 55.45 2cr4 s GLU 77 Cb -0.07 -2.10 0.01 0.00 0.26 0.00 0.00 34.13 32.23 2cr4 s GLU 77 CO 0.43 -0.59 0.09 0.21 -0.54 0.00 0.00 175.26 174.86 2cr4 s LYS 78 N 1.77 0.12 -1.10 4.30 2.20 -1.00 -4.84 119.74 121.19 2cr4 s LYS 78 Ca -0.01 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.69 2cr4 s LYS 78 Cb -0.17 0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.21 2cr4 s LYS 78 CO -0.07 -0.02 0.00 -0.25 -0.36 0.00 0.00 175.35 174.65 2cr4 n ASP 79 N 2.96 -3.69 -1.78 1.43 9.92 -1.26 0.38 116.55 124.52 2cr4 n ASP 79 Ca -0.13 0.23 -0.14 0.00 -0.53 0.00 0.00 54.79 54.22 2cr4 n ASP 79 Cb 0.59 -3.22 0.01 0.00 -0.64 0.00 0.00 41.12 37.87 2cr4 n ASP 79 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2cr4 n SER 80 N -1.44 -4.30 -3.70 -2.24 2.88 -1.26 -4.97 113.62 98.59 2cr4 n SER 80 Ca -0.14 -0.11 -0.15 0.00 -1.33 0.00 0.00 58.87 57.15 2cr4 n SER 80 Cb 0.56 -3.31 -0.15 0.00 -0.75 0.00 0.00 64.21 60.56 2cr4 n SER 80 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2cr4 s LYS 81 N -5.00 0.09 0.14 -1.46 1.02 0.16 -4.11 119.74 110.58 2cr4 s LYS 81 Ca 0.11 0.51 -0.31 0.00 0.02 0.00 0.00 55.97 56.30 2cr4 s LYS 81 Cb -0.05 -0.19 -0.09 0.00 -0.52 0.00 0.00 37.83 36.98 2cr4 s LYS 81 CO 0.13 -0.23 1.53 -0.06 -0.92 0.00 0.00 175.35 175.80 2cr4 s PHE 82 N 1.76 3.02 0.11 3.18 0.08 0.20 -2.37 117.98 123.94 2cr4 s PHE 82 Ca -0.03 0.67 0.02 0.00 0.12 0.00 0.00 56.93 57.71 2cr4 s PHE 82 Cb -0.12 -3.87 -0.04 0.00 -0.57 0.00 0.00 43.02 38.42 2cr4 s PHE 82 CO -0.07 -3.21 -0.07 1.52 -0.10 0.00 0.00 175.22 173.29 2cr4 s TYR 83 N 1.36 0.96 -0.13 0.36 -0.85 -0.97 0.40 117.35 118.47 2cr4 s TYR 83 Ca 0.69 -0.87 0.03 0.00 -0.52 0.00 0.00 57.07 56.40 2cr4 s TYR 83 Cb -0.41 -0.54 -0.10 0.00 0.38 0.00 0.00 41.96 41.29 2cr4 s TYR 83 CO 0.31 -0.10 -0.09 1.28 -1.52 0.00 0.00 175.55 175.43 2cr4 n LEU 84 N -0.02 2.31 -0.05 -3.49 4.77 -1.24 -0.24 117.00 119.05 2cr4 n LEU 84 Ca -0.12 -0.06 -0.05 0.00 -0.03 0.00 0.00 56.01 55.75 2cr4 n LEU 84 Cb 0.61 -0.32 -0.08 0.00 -2.33 0.00 0.00 43.42 41.30 2cr4 n LEU 84 CO 0.30 0.63 -0.83 -1.84 -1.33 0.00 0.00 177.39 174.32 2cr4 n GLU 85 N -2.80 2.26 0.00 3.23 -0.00 -1.26 -4.89 120.64 117.18 2cr4 n GLU 85 Ca -0.23 -0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.93 2cr4 n GLU 85 Cb 0.79 -1.26 0.00 0.00 -0.00 0.00 0.00 31.44 30.97 2cr4 n GLU 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2cr4 n GLY 86 N 2.41 1.57 0.27 -1.84 0.00 -1.26 -4.92 105.19 101.42 2cr4 n GLY 86 Ca -0.17 -0.38 0.05 0.00 0.00 0.00 0.00 46.02 45.53 2cr4 n GLY 86 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2cr4 h GLU 87 N 0.00 0.25 -6.08 1.61 4.11 -2.00 -3.35 114.58 109.12 2cr4 h GLU 87 Ca 0.00 -0.02 -0.60 0.00 0.07 0.00 0.00 59.36 58.81 2cr4 h GLU 87 Cb 0.00 -0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.08 2cr4 h GLU 87 CO 0.00 0.17 0.59 0.08 0.07 0.00 0.00 179.01 179.92 2cr4 s VAL 88 N -6.06 4.43 0.19 -1.06 1.01 -1.26 -5.01 120.40 112.65 2cr4 s VAL 88 Ca -0.13 0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.47 2cr4 s VAL 88 Cb 0.21 -4.48 -0.00 0.00 0.00 0.00 0.00 36.38 32.11 2cr4 s VAL 88 CO 0.75 -0.94 0.04 0.18 0.00 0.00 0.00 175.10 175.13 2cr4 n LEU 89 N 7.30 0.00 -3.31 3.92 4.32 -1.26 -3.59 117.00 124.38 2cr4 n LEU 89 Ca 0.05 -1.33 0.03 0.00 -0.02 0.00 0.00 56.01 54.74 2cr4 n LEU 89 Cb 0.48 0.32 -0.02 0.00 -1.62 0.00 0.00 43.42 42.58 2cr4 n LEU 89 CO 0.64 -0.20 0.25 -0.36 -1.22 0.00 0.00 177.39 176.51 2cr4 s PHE 90 N -2.01 -1.39 0.46 -1.77 0.08 0.16 -4.84 117.98 108.67 2cr4 s PHE 90 Ca 0.05 1.76 0.39 0.00 0.12 0.00 0.00 56.93 59.25 2cr4 s PHE 90 Cb 0.00 0.60 1.47 0.00 -0.57 0.00 0.00 43.02 44.52 2cr4 s PHE 90 CO 0.04 -0.74 1.40 1.55 -0.10 0.00 0.00 175.22 177.37 2cr4 n VAL 91 N 5.41 -0.09 -3.72 -0.44 3.14 -1.26 0.59 118.33 121.96 2cr4 n VAL 91 Ca -0.05 1.45 -0.13 0.00 -2.96 0.00 0.00 64.34 62.65 2cr4 n VAL 91 Cb 0.51 -2.40 -0.08 0.00 -1.06 0.00 0.00 33.84 30.81 2cr4 n VAL 91 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2cr4 s SER 92 N -4.05 -0.24 0.28 6.55 1.04 -1.26 -4.54 113.70 111.48 2cr4 s SER 92 Ca -0.05 0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.46 2cr4 s SER 92 Cb 0.26 0.37 0.69 0.00 0.10 0.00 0.00 66.02 67.43 2cr4 s SER 92 CO 0.77 -0.55 1.70 0.58 0.98 0.00 0.00 173.24 176.72 2cr4 h VAL 93 N 3.45 0.49 -0.14 5.02 2.07 -1.95 -2.58 116.25 122.62 2cr4 h VAL 93 Ca -0.30 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.10 2cr4 h VAL 93 Cb 1.18 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2cr4 h VAL 93 CO 0.42 0.07 -0.16 1.23 0.02 0.00 0.00 177.57 179.15 2cr4 h GLY 94 N 0.39 -1.73 -0.68 2.17 0.00 -1.94 -1.31 103.07 99.98 2cr4 h GLY 94 Ca 0.54 0.83 0.13 0.00 0.00 0.00 0.00 47.33 48.83 2cr4 h GLY 94 CO -0.52 -0.58 -0.34 0.23 0.00 0.00 0.00 176.54 175.33 2cr4 h SER 95 N -0.10 -1.22 -0.44 0.19 0.87 -1.85 -0.05 113.55 110.95 2cr4 h SER 95 Ca 0.02 0.26 0.07 0.00 -1.23 0.00 0.00 61.79 60.92 2cr4 h SER 95 Cb 0.17 0.64 -0.09 0.00 -0.44 0.00 0.00 62.40 62.67 2cr4 h SER 95 CO -0.18 -0.29 -0.42 -0.03 -0.53 0.00 0.00 176.83 175.37 2cr4 h MET 96 N -0.08 -0.29 -0.69 2.24 4.05 -1.29 0.38 114.93 119.26 2cr4 h MET 96 Ca 0.30 0.02 0.13 0.00 -0.28 0.00 0.00 59.70 59.87 2cr4 h MET 96 Cb 0.58 0.07 -0.09 0.00 -0.80 0.00 0.00 31.60 31.35 2cr4 h MET 96 CO -0.83 -0.19 0.22 0.28 0.23 0.00 0.00 176.91 176.62 2cr4 h VAL 97 N -0.30 0.65 -0.14 -5.77 2.07 0.07 0.24 116.25 113.07 2cr4 h VAL 97 Ca 0.15 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 2cr4 h VAL 97 Cb 0.58 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2cr4 h VAL 97 CO -0.60 0.07 -0.25 -0.33 0.02 0.00 0.00 177.57 176.48 2cr4 h GLU 98 N 0.36 0.25 -0.03 1.57 5.08 -0.13 -1.42 114.58 120.26 2cr4 h GLU 98 Ca 0.37 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 2cr4 h GLU 98 Cb 0.56 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2cr4 h GLU 98 CO -0.41 0.50 -0.07 1.25 -1.00 0.00 0.00 179.01 179.28 2cr4 h HIS 99 N 0.23 0.13 -0.07 4.33 2.76 0.21 -3.20 115.15 119.54 2cr4 h HIS 99 Ca 0.04 -0.05 -0.04 0.00 -2.20 0.00 0.00 60.37 58.12 2cr4 h HIS 99 Cb 0.58 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 2cr4 h HIS 99 CO 0.01 0.67 -0.15 1.88 -1.30 0.00 0.00 177.93 179.04 2cr4 h TYR 100 N -0.45 0.11 -0.88 5.26 0.05 -0.57 -2.68 116.97 117.82 2cr4 h TYR 100 Ca -0.00 -0.01 0.25 0.00 0.05 0.00 0.00 58.73 59.02 2cr4 h TYR 100 Cb 0.66 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 38.33 2cr4 h TYR 100 CO 0.13 0.26 1.14 0.45 -1.05 0.00 0.00 178.16 179.09 2cr4 h HIS 101 N 0.10 0.00 0.00 4.88 3.86 -1.25 0.33 115.15 123.07 2cr4 h HIS 101 Ca 0.02 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 2cr4 h HIS 101 Cb 0.33 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 2cr4 h HIS 101 CO 0.00 0.00 -1.15 0.25 0.86 0.00 0.00 177.93 177.89 2cr4 n THR 102 N -3.19 0.12 -3.51 2.45 -2.24 -1.04 -4.85 114.28 102.02 2cr4 n THR 102 Ca 0.20 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.47 2cr4 n THR 102 Cb 1.41 -0.57 -0.07 0.00 -2.10 0.00 0.00 70.33 68.99 2cr4 n THR 102 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2cr4 s HIS 103 N -2.09 3.43 0.44 4.78 4.02 0.12 -5.06 115.29 120.93 2cr4 s HIS 103 Ca -0.01 -1.87 -0.21 0.00 1.02 0.00 0.00 55.06 53.98 2cr4 s HIS 103 Cb 0.01 -3.55 -0.13 0.00 -1.02 0.00 0.00 32.58 27.88 2cr4 s HIS 103 CO 0.10 -0.99 0.31 1.55 1.02 0.00 0.00 174.74 176.74 2cr4 n VAL 104 N 4.74 1.26 -1.74 -0.90 3.14 -1.25 -4.39 118.33 119.19 2cr4 n VAL 104 Ca -0.05 -0.50 -0.32 0.00 -2.96 0.00 0.00 64.34 60.51 2cr4 n VAL 104 Cb 0.41 -0.31 0.04 0.00 -1.06 0.00 0.00 33.84 32.92 2cr4 n VAL 104 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2cr4 s LEU 105 N 2.87 3.32 0.74 6.55 1.43 -0.74 -4.98 118.68 127.87 2cr4 s LEU 105 Ca 0.62 1.83 -0.12 0.00 -1.03 0.00 0.00 54.13 55.43 2cr4 s LEU 105 Cb -0.58 -4.53 0.04 0.00 0.03 0.00 0.00 46.19 41.15 2cr4 s LEU 105 CO 0.60 -1.49 1.10 -2.16 0.23 0.00 0.00 176.35 174.62 2cr4 s PRO 106 N -4.42 2.43 -0.50 1.29 0.04 -1.26 -3.76 135.00 128.82 2cr4 s PRO 106 Ca 0.63 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2cr4 s PRO 106 Cb -0.17 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2cr4 s PRO 106 CO 0.45 -1.52 0.00 -1.13 0.04 0.00 0.00 177.00 174.84 2cr4 n SER 107 N -3.16 -2.94 -2.51 6.66 3.41 -1.26 -5.00 113.62 108.82 2cr4 n SER 107 Ca 0.09 0.06 -0.09 0.00 -0.26 0.00 0.00 58.87 58.68 2cr4 n SER 107 Cb 0.53 -1.60 0.01 0.00 -0.26 0.00 0.00 64.21 62.89 2cr4 n SER 107 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2cr4 n HIS 108 N -3.42 -1.91 -0.04 7.33 -0.00 -1.25 -5.10 115.22 110.84 2cr4 n HIS 108 Ca -0.06 -1.63 -0.07 0.00 -0.00 0.00 0.00 57.72 55.96 2cr4 n HIS 108 Cb 0.36 0.68 -0.02 0.00 -0.00 0.00 0.00 29.99 31.00 2cr4 n HIS 108 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2cr4 n GLN 109 N -0.45 0.29 -2.89 1.57 10.64 -1.26 -4.88 117.38 120.41 2cr4 n GLN 109 Ca -0.05 0.12 -0.17 0.00 -1.83 0.00 0.00 57.00 55.07 2cr4 n GLN 109 Cb 0.49 -1.01 -0.01 0.00 -0.86 0.00 0.00 30.24 28.85 2cr4 n GLN 109 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2cr4 n SER 110 N -3.94 1.98 -4.23 2.61 7.64 -1.26 -4.92 113.62 111.50 2cr4 n SER 110 Ca -0.13 -3.08 -0.41 0.00 1.01 0.00 0.00 58.87 56.27 2cr4 n SER 110 Cb 0.38 -0.56 -0.09 0.00 -1.01 0.00 0.00 64.21 62.93 2cr4 n SER 110 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2cr4 s LEU 111 N -2.94 5.59 0.39 -3.43 2.96 -1.26 -5.05 118.68 114.94 2cr4 s LEU 111 Ca 0.38 -1.80 0.08 0.00 -0.22 0.00 0.00 54.13 52.56 2cr4 s LEU 111 Cb 0.39 -2.02 -0.06 0.00 0.50 0.00 0.00 46.19 45.00 2cr4 s LEU 111 CO -0.06 -0.66 0.10 -0.76 -1.32 0.00 0.00 176.35 173.64 2cr4 s LEU 112 N 1.39 3.03 -0.62 -0.68 1.43 -1.26 -1.78 118.68 120.19 2cr4 s LEU 112 Ca 0.05 -1.11 -0.22 0.00 -1.03 0.00 0.00 54.13 51.82 2cr4 s LEU 112 Cb -0.26 -1.31 0.07 0.00 0.03 0.00 0.00 46.19 44.73 2cr4 s LEU 112 CO 0.00 -0.43 0.88 -0.76 0.23 0.00 0.00 176.35 176.28 2cr4 s LEU 113 N -3.81 4.59 -0.15 1.79 1.43 -1.26 -4.53 118.68 116.75 2cr4 s LEU 113 Ca 0.38 -0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 2cr4 s LEU 113 Cb 0.04 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 2cr4 s LEU 113 CO 0.21 -1.31 -0.20 0.54 0.23 0.00 0.00 176.35 175.82 2cr4 n ARG 114 N 7.29 0.47 -4.46 1.70 1.74 -1.22 -4.76 116.66 117.41 2cr4 n ARG 114 Ca -0.05 0.48 -0.22 0.00 -0.77 0.00 0.00 57.85 57.30 2cr4 n ARG 114 Cb 0.45 -1.66 -0.16 0.00 -1.02 0.00 0.00 32.46 30.08 2cr4 n ARG 114 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2cr4 s HIS 115 N -2.34 1.11 1.25 -1.55 3.76 -1.22 -5.04 115.29 111.25 2cr4 s HIS 115 Ca -0.17 -0.31 -0.21 0.00 -0.15 0.00 0.00 55.06 54.22 2cr4 s HIS 115 Cb 0.02 -0.80 0.31 0.00 1.11 0.00 0.00 32.58 33.23 2cr4 s HIS 115 CO 0.26 -0.14 1.11 -0.35 -0.85 0.00 0.00 174.74 174.77 2cr4 n PRO 116 N 3.40 -3.19 -3.41 8.40 -0.04 -1.26 -1.90 135.00 137.00 2cr4 n PRO 116 Ca -0.19 -1.77 -0.30 0.00 -0.04 0.00 0.00 63.50 61.20 2cr4 n PRO 116 Cb 0.53 -1.66 -0.04 0.00 -0.04 0.00 0.00 33.50 32.29 2cr4 n PRO 116 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2cr4 s TYR 117 N -3.01 3.47 0.00 0.54 5.04 0.59 -4.35 117.35 119.63 2cr4 s TYR 117 Ca 0.72 0.67 0.00 0.00 -2.44 0.00 0.00 57.07 56.02 2cr4 s TYR 117 Cb -0.07 -2.12 0.00 0.00 0.35 0.00 0.00 41.96 40.12 2cr4 s TYR 117 CO 0.55 0.23 0.00 0.41 -1.34 0.00 0.00 175.55 175.40 2cr4 n GLY 118 N -0.64 1.16 3.77 8.97 0.00 -1.26 -3.22 105.19 113.97 2cr4 n GLY 118 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2cr4 n GLY 118 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2cr4 n TYR 119 N 0.00 2.98 -3.64 1.61 4.19 -1.26 -4.99 117.16 116.04 2cr4 n TYR 119 Ca 0.00 0.42 -0.35 0.00 3.31 0.00 0.00 57.90 61.28 2cr4 n TYR 119 Cb 0.00 -2.54 -0.05 0.00 0.49 0.00 0.00 39.34 37.23 2cr4 n TYR 119 CO 0.00 0.00 0.00 -0.08 0.91 0.00 0.00 176.86 177.69 2cr4 s THR 120 N -0.95 5.17 -0.06 2.97 -1.32 -1.26 -4.89 115.64 115.29 2cr4 s THR 120 Ca 0.55 0.37 -0.03 0.00 -1.21 0.00 0.00 61.69 61.37 2cr4 s THR 120 Cb -0.48 -3.62 0.04 0.00 -1.51 0.00 0.00 72.50 66.93 2cr4 s THR 120 CO 0.62 0.34 0.08 -0.55 -2.21 0.00 0.00 174.62 172.89 2cr4 s SER 121 N -1.69 1.28 0.00 8.08 0.15 -1.26 -5.02 113.70 115.24 2cr4 s SER 121 Ca 0.30 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.95 2cr4 s SER 121 Cb -0.14 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 2cr4 s SER 121 CO 0.17 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.95 2cr4 n GLY 122 N 5.30 -0.98 0.00 9.45 0.00 -1.26 -4.90 105.19 112.80 2cr4 n GLY 122 Ca -0.04 0.22 0.07 0.00 0.00 0.00 0.00 46.02 46.27 2cr4 n GLY 122 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cr4 n PRO 123 N -2.41 0.49 -1.83 1.61 -0.04 -1.26 -4.72 135.00 126.84 2cr4 n PRO 123 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 2cr4 n PRO 123 Cb 0.00 -1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 31.97 2cr4 n PRO 123 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cr4 s SER 124 N -1.96 5.20 -0.02 3.54 0.15 -1.26 -4.95 113.70 114.40 2cr4 s SER 124 Ca 0.22 1.00 0.08 0.00 0.70 0.00 0.00 55.95 57.94 2cr4 s SER 124 Cb 0.10 -2.52 -0.02 0.00 -1.71 0.00 0.00 66.02 61.87 2cr4 s SER 124 CO 0.17 -2.31 -0.26 -0.94 1.20 0.00 0.00 173.24 171.10 2cr4 s SER 125 N 8.83 3.08 0.00 5.45 1.04 -1.26 -5.17 113.70 125.67 2cr4 s SER 125 Ca 0.84 -0.47 0.23 0.00 0.48 0.00 0.00 55.95 57.03 2cr4 s SER 125 Cb -0.19 -0.35 0.19 0.00 0.10 0.00 0.00 66.02 65.77 2cr4 s SER 125 CO 0.27 0.32 1.24 0.61 0.98 0.00 0.00 173.24 176.66