#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr5 n SER 2 N 0.00 -1.55 -4.71 1.61 3.41 -1.26 -4.85 113.62 106.27 2cr5 n SER 2 Ca 0.00 -1.20 -0.42 0.00 -0.26 0.00 0.00 58.87 56.99 2cr5 n SER 2 Cb 0.00 -1.88 -0.03 0.00 -0.26 0.00 0.00 64.21 62.04 2cr5 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cr5 s SER 3 N -3.51 7.25 0.00 4.04 0.01 -1.26 -4.68 113.70 115.56 2cr5 s SER 3 Ca 0.64 1.77 0.00 0.00 1.31 0.00 0.00 55.95 59.66 2cr5 s SER 3 Cb -0.37 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.29 2cr5 s SER 3 CO 1.00 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 174.90 2cr5 n GLY 4 N 3.05 -3.12 2.83 3.44 0.00 -1.26 -5.08 105.19 105.05 2cr5 n GLY 4 Ca 0.07 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 2cr5 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cr5 s SER 5 N -0.03 0.85 -1.05 1.61 1.04 -1.26 -5.07 113.70 109.78 2cr5 s SER 5 Ca 0.00 -0.10 -0.25 0.00 0.48 0.00 0.00 55.95 56.08 2cr5 s SER 5 Cb 0.00 0.77 -0.13 0.00 0.10 0.00 0.00 66.02 66.76 2cr5 s SER 5 CO 0.00 -0.32 2.05 -0.44 0.98 0.00 0.00 173.24 175.50 2cr5 s SER 6 N 2.44 4.45 0.00 7.02 0.01 -1.26 -4.25 113.70 122.11 2cr5 s SER 6 Ca 0.10 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.30 2cr5 s SER 6 Cb -0.15 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.50 2cr5 s SER 6 CO -0.17 -3.60 0.00 0.61 0.41 0.00 0.00 173.24 170.49 2cr5 n GLY 7 N 6.24 -1.71 3.55 3.44 0.00 -1.26 -5.09 105.19 110.36 2cr5 n GLY 7 Ca 0.43 0.70 -0.36 0.00 0.00 0.00 0.00 46.02 46.80 2cr5 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cr5 s GLU 8 N 0.00 2.36 -0.06 1.61 2.02 -1.26 -4.93 118.70 118.44 2cr5 s GLU 8 Ca 0.00 0.87 0.01 0.00 0.02 0.00 0.00 54.97 55.87 2cr5 s GLU 8 Cb 0.00 -4.52 0.02 0.00 0.10 0.00 0.00 34.13 29.72 2cr5 s GLU 8 CO 0.00 -3.07 -0.08 0.08 0.02 0.00 0.00 175.26 172.21 2cr5 s VAL 9 N 10.66 0.79 0.60 2.63 1.01 -1.26 -5.14 120.40 129.69 2cr5 s VAL 9 Ca 0.81 -0.26 -0.17 0.00 0.00 0.00 0.00 61.98 62.35 2cr5 s VAL 9 Cb -0.14 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 2cr5 s VAL 9 CO 0.21 0.28 1.12 -2.16 0.00 0.00 0.00 175.10 174.55 2cr5 s PRO 10 N 0.89 3.10 0.07 2.72 0.04 -1.26 -5.05 135.00 135.51 2cr5 s PRO 10 Ca -0.11 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.44 2cr5 s PRO 10 Cb -0.15 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2cr5 s PRO 10 CO 0.01 -1.03 0.22 0.16 0.04 0.00 0.00 177.00 176.39 2cr5 s ASP 11 N -2.14 6.33 0.04 6.66 -4.77 -1.26 -5.03 116.67 116.50 2cr5 s ASP 11 Ca 0.70 0.25 -0.10 0.00 -3.30 0.00 0.00 52.55 50.10 2cr5 s ASP 11 Cb -0.22 -1.94 -0.05 0.00 -1.09 0.00 0.00 42.92 39.62 2cr5 s ASP 11 CO 0.34 0.15 0.37 -0.76 0.70 0.00 0.00 175.17 175.97 2cr5 s LEU 12 N -2.61 4.38 0.67 2.11 1.43 -1.26 -5.08 118.68 118.32 2cr5 s LEU 12 Ca 0.35 0.76 -0.15 0.00 -1.03 0.00 0.00 54.13 54.07 2cr5 s LEU 12 Cb -0.13 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.28 2cr5 s LEU 12 CO 0.28 0.22 1.11 -2.16 0.23 0.00 0.00 176.35 176.03 2cr5 s PRO 13 N -1.70 2.75 -0.22 1.29 0.04 -1.26 -4.90 135.00 131.01 2cr5 s PRO 13 Ca 0.30 1.36 -0.34 0.00 0.04 0.00 0.00 61.00 62.36 2cr5 s PRO 13 Cb -0.14 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 2cr5 s PRO 13 CO 0.16 -1.28 2.02 0.39 0.04 0.00 0.00 177.00 178.33 2cr5 n GLU 14 N -2.52 1.66 -2.20 4.56 1.02 -1.26 -4.90 120.64 116.99 2cr5 n GLU 14 Ca 0.10 0.55 -0.40 0.00 -0.02 0.00 0.00 57.16 57.38 2cr5 n GLU 14 Cb 0.52 -2.60 -0.02 0.00 -0.02 0.00 0.00 31.44 29.31 2cr5 n GLU 14 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2cr5 s GLU 15 N 5.09 4.37 0.59 3.49 8.01 -1.26 -5.00 118.70 133.99 2cr5 s GLU 15 Ca 1.00 2.10 -0.18 0.00 0.01 0.00 0.00 54.97 57.90 2cr5 s GLU 15 Cb -0.74 -3.05 -0.03 0.00 -4.31 0.00 0.00 34.13 26.00 2cr5 s GLU 15 CO 0.50 -0.13 1.12 -1.25 0.01 0.00 0.00 175.26 175.51 2cr5 s PRO 16 N -1.79 3.13 0.48 0.39 0.04 -1.26 -5.04 135.00 130.94 2cr5 s PRO 16 Ca 0.49 1.52 0.07 0.00 0.04 0.00 0.00 61.00 63.13 2cr5 s PRO 16 Cb -0.37 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.20 2cr5 s PRO 16 CO 0.49 -1.01 0.47 0.45 0.04 0.00 0.00 177.00 177.43 2cr5 s SER 17 N -2.10 4.97 0.32 6.66 0.15 -1.26 -4.61 113.70 117.82 2cr5 s SER 17 Ca 0.70 -0.89 0.20 0.00 0.70 0.00 0.00 55.95 56.66 2cr5 s SER 17 Cb -0.23 -0.15 1.07 0.00 -1.71 0.00 0.00 66.02 65.00 2cr5 s SER 17 CO 0.33 -0.90 1.58 -1.84 1.20 0.00 0.00 173.24 173.61 2cr5 n GLU 18 N -1.74 0.13 0.01 5.44 -0.00 -1.26 0.18 120.64 123.39 2cr5 n GLU 18 Ca 0.04 0.62 0.11 0.00 -0.00 0.00 0.00 57.16 57.94 2cr5 n GLU 18 Cb 0.62 -1.98 0.05 0.00 -0.00 0.00 0.00 31.44 30.13 2cr5 n GLU 18 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2cr5 n THR 19 N -2.20 0.08 -0.65 3.84 -2.24 -1.26 -4.96 114.28 106.89 2cr5 n THR 19 Ca -0.01 -0.12 -0.29 0.00 -2.27 0.00 0.00 64.05 61.36 2cr5 n THR 19 Cb 0.09 0.41 0.22 0.00 -2.10 0.00 0.00 70.33 68.95 2cr5 n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cr5 s ALA 20 N -3.10 0.25 -0.13 6.98 0.00 0.13 -5.02 121.76 120.87 2cr5 s ALA 20 Ca 0.07 0.08 -0.04 0.00 0.00 0.00 0.00 51.96 52.07 2cr5 s ALA 20 Cb 0.16 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 2cr5 s ALA 20 CO 0.79 -3.42 0.03 -1.21 0.00 0.00 0.00 175.76 171.95 2cr5 s GLU 21 N -4.56 3.46 -1.22 0.00 2.02 -1.26 -4.56 118.70 112.58 2cr5 s GLU 21 Ca 0.68 -0.38 -0.03 0.00 0.02 0.00 0.00 54.97 55.25 2cr5 s GLU 21 Cb -0.24 -2.98 -0.01 0.00 0.10 0.00 0.00 34.13 31.00 2cr5 s GLU 21 CO 0.62 0.50 0.83 0.39 0.02 0.00 0.00 175.26 177.62 2cr5 n GLU 22 N 2.80 -4.51 -4.92 1.61 1.02 -1.26 -4.77 120.64 110.61 2cr5 n GLU 22 Ca -0.18 0.71 -0.27 0.00 -0.02 0.00 0.00 57.16 57.39 2cr5 n GLU 22 Cb 0.53 -5.36 -0.16 0.00 -0.02 0.00 0.00 31.44 26.42 2cr5 n GLU 22 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2cr5 s VAL 23 N -3.52 1.57 0.35 2.62 0.11 -1.26 0.09 120.40 120.36 2cr5 s VAL 23 Ca 0.13 -0.78 0.09 0.00 -2.93 0.00 0.00 61.98 58.49 2cr5 s VAL 23 Cb -0.03 -1.35 -0.05 0.00 -1.53 0.00 0.00 36.38 33.42 2cr5 s VAL 23 CO 0.78 0.45 0.07 0.68 -3.33 0.00 0.00 175.10 173.75 2cr5 s VAL 24 N 0.12 2.70 -0.49 2.04 -7.23 -0.78 -4.92 120.40 111.84 2cr5 s VAL 24 Ca -0.07 -1.86 -0.15 0.00 -1.81 0.00 0.00 61.98 58.10 2cr5 s VAL 24 Cb -0.13 -2.88 0.09 0.00 0.56 0.00 0.00 36.38 34.02 2cr5 s VAL 24 CO 0.03 -0.17 0.41 -0.89 -0.31 0.00 0.00 175.10 174.18 2cr5 s THR 25 N -2.50 5.05 -0.26 5.32 2.01 -1.26 -1.13 115.64 122.87 2cr5 s THR 25 Ca 0.36 -1.28 -0.10 0.00 0.31 0.00 0.00 61.69 60.98 2cr5 s THR 25 Cb -0.00 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 2cr5 s THR 25 CO 0.21 -0.67 0.15 -0.69 -0.69 0.00 0.00 174.62 172.92 2cr5 s VAL 26 N 1.59 5.05 -0.09 3.82 1.01 -0.19 -2.58 120.40 129.00 2cr5 s VAL 26 Ca 0.04 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 2cr5 s VAL 26 Cb -0.26 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2cr5 s VAL 26 CO 0.05 0.30 -0.06 0.00 0.00 0.00 0.00 175.10 175.39 2cr5 s ALA 27 N 1.49 3.00 -0.19 5.51 0.00 -1.07 -2.56 121.76 127.95 2cr5 s ALA 27 Ca 0.07 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 51.13 2cr5 s ALA 27 Cb -0.15 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.63 2cr5 s ALA 27 CO 0.07 0.48 -0.05 -0.51 0.00 0.00 0.00 175.76 175.75 2cr5 s LEU 28 N -0.50 2.97 0.43 0.00 1.43 0.43 0.13 118.68 123.57 2cr5 s LEU 28 Ca 0.08 -0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 2cr5 s LEU 28 Cb -0.12 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 2cr5 s LEU 28 CO 0.02 0.06 0.68 -0.13 0.23 0.00 0.00 176.35 177.21 2cr5 s ARG 29 N 1.03 3.36 0.14 1.70 1.81 -1.04 -1.50 118.95 124.43 2cr5 s ARG 29 Ca 0.00 -0.18 0.08 0.00 -1.72 0.00 0.00 55.73 53.92 2cr5 s ARG 29 Cb -0.15 -2.52 -0.04 0.00 -0.45 0.00 0.00 34.95 31.80 2cr5 s ARG 29 CO 0.00 -0.13 -0.19 0.00 -0.68 0.00 0.00 175.30 174.30 2cr5 n PRO 31 N 0.64 0.33 0.01 0.00 -0.04 -1.26 -1.90 135.00 132.78 2cr5 n PRO 31 Ca -0.16 0.08 0.11 0.00 -0.04 0.00 0.00 63.50 63.49 2cr5 n PRO 31 Cb 0.56 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 2cr5 n PRO 31 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2cr5 n ASN 32 N -1.16 0.71 0.00 3.54 0.23 -1.26 -4.96 115.26 112.36 2cr5 n ASN 32 Ca 0.09 -0.56 0.00 0.00 -0.53 0.00 0.00 54.58 53.58 2cr5 n ASN 32 Cb 0.09 0.95 0.00 0.00 -2.08 0.00 0.00 39.78 38.74 2cr5 n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2cr5 n GLY 33 N 1.44 1.18 3.94 4.83 0.00 -0.80 -5.11 105.19 110.67 2cr5 n GLY 33 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 2cr5 n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cr5 s ARG 34 N -0.13 3.41 -0.04 1.61 1.81 -1.25 -4.94 118.95 119.41 2cr5 s ARG 34 Ca 0.00 -0.64 0.02 0.00 -1.72 0.00 0.00 55.73 53.39 2cr5 s ARG 34 Cb 0.00 -2.94 0.02 0.00 -0.45 0.00 0.00 34.95 31.58 2cr5 s ARG 34 CO 0.00 0.51 -0.07 0.08 -0.68 0.00 0.00 175.30 175.14 2cr5 s VAL 35 N -1.77 0.67 -0.15 3.52 1.01 -1.26 -1.31 120.40 121.11 2cr5 s VAL 35 Ca 0.34 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.11 2cr5 s VAL 35 Cb -0.11 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.63 2cr5 s VAL 35 CO 0.28 0.25 -0.20 -0.76 0.00 0.00 0.00 175.10 174.66 2cr5 s LEU 36 N 0.70 2.06 -0.06 3.92 1.43 -0.56 -5.00 118.68 121.18 2cr5 s LEU 36 Ca -0.11 -0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 52.37 2cr5 s LEU 36 Cb -0.13 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 2cr5 s LEU 36 CO 0.01 0.04 0.05 -0.13 0.23 0.00 0.00 176.35 176.55 2cr5 s ARG 37 N 1.05 3.07 0.28 1.70 0.52 -1.26 -0.43 118.95 123.87 2cr5 s ARG 37 Ca -0.02 -0.40 -0.20 0.00 -0.52 0.00 0.00 55.73 54.59 2cr5 s ARG 37 Cb -0.14 -2.87 0.05 0.00 0.52 0.00 0.00 34.95 32.51 2cr5 s ARG 37 CO -0.07 0.69 0.83 0.50 0.02 0.00 0.00 175.30 177.27 2cr5 s ARG 38 N -1.22 1.78 0.15 3.54 3.52 -1.06 -5.00 118.95 120.66 2cr5 s ARG 38 Ca 0.17 -1.07 0.09 0.00 -0.13 0.00 0.00 55.73 54.79 2cr5 s ARG 38 Cb -0.12 0.55 -0.04 0.00 -1.56 0.00 0.00 34.95 33.78 2cr5 s ARG 38 CO 0.07 -0.82 -0.14 1.03 -0.81 0.00 0.00 175.30 174.63 2cr5 s ARG 39 N -3.03 1.92 -0.22 5.12 0.52 -1.26 -1.03 118.95 120.98 2cr5 s ARG 39 Ca 0.14 -1.23 -0.10 0.00 -0.52 0.00 0.00 55.73 54.02 2cr5 s ARG 39 Cb -0.04 -2.13 0.08 0.00 0.52 0.00 0.00 34.95 33.37 2cr5 s ARG 39 CO 0.07 0.46 0.50 -0.06 0.02 0.00 0.00 175.30 176.29 2cr5 s PHE 40 N -1.45 -0.84 1.02 -0.53 0.40 -0.28 -4.40 117.98 111.90 2cr5 s PHE 40 Ca 0.22 1.66 -0.14 0.00 -0.60 0.00 0.00 56.93 58.07 2cr5 s PHE 40 Cb -0.10 0.42 0.11 0.00 0.51 0.00 0.00 43.02 43.97 2cr5 s PHE 40 CO 0.13 -0.46 0.51 1.19 0.70 0.00 0.00 175.22 177.29 2cr5 n PHE 41 N 4.72 -1.02 0.70 0.36 3.72 -1.26 -1.87 117.46 122.81 2cr5 n PHE 41 Ca -0.17 0.18 0.12 0.00 -0.05 0.00 0.00 57.45 57.53 2cr5 n PHE 41 Cb 0.54 -1.75 0.27 0.00 -0.94 0.00 0.00 39.48 37.60 2cr5 n PHE 41 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2cr5 n LYS 42 N -2.72 0.20 0.08 -1.08 5.02 0.11 -3.67 118.16 116.11 2cr5 n LYS 42 Ca 0.05 0.09 -0.03 0.00 -2.02 0.00 0.00 58.31 56.40 2cr5 n LYS 42 Cb 0.56 -1.65 -0.06 0.00 -0.02 0.00 0.00 35.03 33.85 2cr5 n LYS 42 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2cr5 h SER 43 N 0.00 0.00 -2.88 4.39 0.87 -1.91 -3.21 113.55 110.81 2cr5 h SER 43 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 2cr5 h SER 43 Cb 0.67 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 62.67 2cr5 h SER 43 CO 0.00 0.75 0.84 0.26 -0.53 0.00 0.00 176.83 178.15 2cr5 s TRP 44 N -2.82 3.11 0.26 2.24 0.51 -1.24 -4.70 118.94 116.29 2cr5 s TRP 44 Ca 0.01 0.72 -0.29 0.00 -2.12 0.00 0.00 56.10 54.42 2cr5 s TRP 44 Cb 0.09 -3.86 -0.09 0.00 -0.81 0.00 0.00 33.47 28.79 2cr5 s TRP 44 CO 0.79 -3.14 0.95 1.21 -0.51 0.00 0.00 176.95 176.25 2cr5 s ASN 45 N 1.11 7.56 0.33 2.95 3.84 -1.26 -2.14 114.94 127.33 2cr5 s ASN 45 Ca 0.68 1.93 0.26 0.00 0.21 0.00 0.00 52.86 55.95 2cr5 s ASN 45 Cb -0.42 -2.60 1.09 0.00 -0.55 0.00 0.00 41.25 38.77 2cr5 s ASN 45 CO 0.31 0.09 1.09 -1.54 -2.79 0.00 0.00 177.10 174.26 2cr5 n SER 46 N 1.25 0.10 -0.26 -4.21 3.41 -1.26 -0.17 113.62 112.48 2cr5 n SER 46 Ca -0.01 0.89 -0.12 0.00 -0.26 0.00 0.00 58.87 59.37 2cr5 n SER 46 Cb 0.48 -0.44 -0.10 0.00 -0.26 0.00 0.00 64.21 63.89 2cr5 n SER 46 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2cr5 h GLN 47 N 0.00 -0.20 -1.50 4.33 1.08 -1.89 0.49 115.11 117.42 2cr5 h GLN 47 Ca 0.63 0.01 0.48 0.00 -1.45 0.00 0.00 58.65 58.32 2cr5 h GLN 47 Cb 2.17 0.05 -0.11 0.00 -0.05 0.00 0.00 27.48 29.54 2cr5 h GLN 47 CO -0.23 -0.13 1.01 1.55 -0.95 0.00 0.00 178.83 180.08 2cr5 n VAL 48 N -5.23 -0.16 0.19 -0.54 3.14 0.76 0.56 118.33 117.06 2cr5 n VAL 48 Ca -0.01 1.60 -0.14 0.00 -2.96 0.00 0.00 64.34 62.83 2cr5 n VAL 48 Cb 0.29 -2.64 -0.07 0.00 -1.06 0.00 0.00 33.84 30.37 2cr5 n VAL 48 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2cr5 h LEU 49 N 0.00 -0.59 -1.64 6.55 3.38 -0.15 -1.96 115.31 120.91 2cr5 h LEU 49 Ca 0.85 0.05 0.49 0.00 0.09 0.00 0.00 57.88 59.35 2cr5 h LEU 49 Cb 2.99 0.19 -0.11 0.00 0.09 0.00 0.00 40.66 43.82 2cr5 h LEU 49 CO -0.29 -0.34 1.05 -0.07 0.09 0.00 0.00 178.44 178.87 2cr5 h LEU 50 N -0.52 0.14 0.06 1.67 3.38 0.09 0.55 115.31 120.68 2cr5 h LEU 50 Ca -0.02 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2cr5 h LEU 50 Cb 0.46 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2cr5 h LEU 50 CO -0.01 -0.13 -0.03 -0.78 0.09 0.00 0.00 178.44 177.58 2cr5 h ASP 51 N 0.04 -0.07 -0.07 -0.43 3.58 -1.40 -2.52 116.42 115.54 2cr5 h ASP 51 Ca 0.86 -0.48 0.02 0.00 0.42 0.00 0.00 57.03 57.85 2cr5 h ASP 51 Cb 3.02 0.02 -0.00 0.00 1.72 0.00 0.00 39.33 44.08 2cr5 h ASP 51 CO -0.27 0.47 0.06 -0.25 -2.88 0.00 0.00 179.24 176.37 2cr5 h TRP 52 N -0.64 0.00 -0.09 0.28 7.01 0.20 -0.71 115.95 122.00 2cr5 h TRP 52 Ca -0.01 0.00 -0.19 0.00 2.11 0.00 0.00 58.89 60.80 2cr5 h TRP 52 Cb 0.55 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.60 2cr5 h TRP 52 CO 0.11 0.00 -0.74 1.98 -2.79 0.00 0.00 178.44 177.00 2cr5 h MET 53 N 0.00 0.45 -0.03 2.65 4.05 -1.01 -2.73 114.93 118.30 2cr5 h MET 53 Ca 0.04 -0.37 -0.19 0.00 -0.28 0.00 0.00 59.70 58.90 2cr5 h MET 53 Cb 0.15 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 2cr5 h MET 53 CO -0.00 1.00 -0.80 0.52 0.23 0.00 0.00 176.91 177.86 2cr5 h MET 54 N 0.30 0.31 -0.56 0.39 2.86 -0.69 -1.56 114.93 115.97 2cr5 h MET 54 Ca -0.03 -0.29 -0.11 0.00 -2.06 0.00 0.00 59.70 57.21 2cr5 h MET 54 Cb 1.32 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 33.03 2cr5 h MET 54 CO 0.13 0.96 -0.07 -0.22 1.06 0.00 0.00 176.91 178.77 2cr5 h LYS 55 N 0.19 1.04 0.00 1.72 1.63 -1.17 -2.78 116.57 117.21 2cr5 h LYS 55 Ca -0.04 -0.37 -0.06 0.00 -0.85 0.00 0.00 60.65 59.33 2cr5 h LYS 55 Cb 1.40 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.95 2cr5 h LYS 55 CO 0.13 1.06 -0.27 -0.39 -3.45 0.00 0.00 179.45 176.54 2cr5 h VAL 56 N 0.93 1.14 0.00 2.00 -1.51 -1.50 -3.46 116.25 113.85 2cr5 h VAL 56 Ca 0.15 -0.93 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 2cr5 h VAL 56 Cb 0.64 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 2cr5 h VAL 56 CO 0.04 0.26 0.00 0.61 -1.23 0.00 0.00 177.57 177.25 2cr5 n GLY 57 N -0.72 0.80 3.46 5.19 0.00 -1.05 -5.12 105.19 107.74 2cr5 n GLY 57 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 2cr5 n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cr5 s TYR 58 N -0.34 -1.33 0.61 1.61 2.02 -0.60 -5.01 117.35 114.32 2cr5 s TYR 58 Ca 0.00 1.97 -0.14 0.00 -0.37 0.00 0.00 57.07 58.53 2cr5 s TYR 58 Cb 0.00 0.67 -0.03 0.00 -0.40 0.00 0.00 41.96 42.20 2cr5 s TYR 58 CO 0.00 -0.68 1.04 -1.58 -1.57 0.00 0.00 175.55 172.76 2cr5 s HIS 59 N 2.84 3.18 0.25 2.71 2.46 -1.26 -2.13 115.29 123.34 2cr5 s HIS 59 Ca 0.02 1.46 0.00 0.00 0.47 0.00 0.00 55.06 57.02 2cr5 s HIS 59 Cb -0.12 -2.90 0.31 0.00 -0.13 0.00 0.00 32.58 29.74 2cr5 s HIS 59 CO -0.19 -0.96 1.66 1.57 -2.47 0.00 0.00 174.74 174.35 2cr5 h LYS 60 N 0.14 0.53 -0.08 2.88 2.10 -1.86 0.26 116.57 120.54 2cr5 h LYS 60 Ca -0.46 -0.23 -0.22 0.00 -2.00 0.00 0.00 60.65 57.75 2cr5 h LYS 60 Cb 1.21 -0.02 0.01 0.00 -0.90 0.00 0.00 32.23 32.53 2cr5 h LYS 60 CO 0.58 0.78 -0.83 1.03 -2.00 0.00 0.00 179.45 179.02 2cr5 h SER 61 N 0.46 0.73 0.19 7.07 0.87 -2.00 -3.28 113.55 117.58 2cr5 h SER 61 Ca 0.06 -0.51 -0.27 0.00 -1.23 0.00 0.00 61.79 59.84 2cr5 h SER 61 Cb 0.77 -0.22 0.02 0.00 -0.44 0.00 0.00 62.40 62.53 2cr5 h SER 61 CO 0.06 1.29 -1.09 -0.07 -0.53 0.00 0.00 176.83 176.49 2cr5 h LEU 62 N 0.39 0.76 -7.97 2.23 3.38 -1.92 -3.41 115.31 108.77 2cr5 h LEU 62 Ca -0.06 -0.65 -0.34 0.00 0.09 0.00 0.00 57.88 56.92 2cr5 h LEU 62 Cb 1.45 -0.24 -0.28 0.00 0.09 0.00 0.00 40.66 41.68 2cr5 h LEU 62 CO 0.16 1.46 -0.76 -0.31 0.09 0.00 0.00 178.44 179.08 2cr5 s TYR 63 N -3.15 0.58 0.49 1.13 2.02 0.89 -2.31 117.35 116.99 2cr5 s TYR 63 Ca -0.08 -0.14 0.05 0.00 -0.37 0.00 0.00 57.07 56.52 2cr5 s TYR 63 Cb 0.07 -0.37 -0.01 0.00 -0.40 0.00 0.00 41.96 41.25 2cr5 s TYR 63 CO 0.91 -0.01 0.17 -0.98 -1.57 0.00 0.00 175.55 174.07 2cr5 s ARG 64 N -0.29 2.21 -0.12 -0.62 1.70 0.12 -3.86 118.95 118.08 2cr5 s ARG 64 Ca 0.01 -2.12 -0.07 0.00 -0.47 0.00 0.00 55.73 53.09 2cr5 s ARG 64 Cb -0.03 -1.83 -0.04 0.00 -0.57 0.00 0.00 34.95 32.48 2cr5 s ARG 64 CO -0.00 -0.35 0.12 -0.51 -1.08 0.00 0.00 175.30 173.48 2cr5 s LEU 65 N -4.00 4.26 0.02 -1.89 1.43 -1.26 -2.64 118.68 114.60 2cr5 s LEU 65 Ca 0.26 0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 53.73 2cr5 s LEU 65 Cb 0.02 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 2cr5 s LEU 65 CO 0.15 0.38 0.03 -0.94 0.23 0.00 0.00 176.35 176.20 2cr5 s SER 66 N -0.86 0.20 1.01 2.29 1.04 -0.73 -2.26 113.70 114.40 2cr5 s SER 66 Ca 0.14 -0.49 -0.16 0.00 0.48 0.00 0.00 55.95 55.92 2cr5 s SER 66 Cb -0.12 0.15 0.20 0.00 0.10 0.00 0.00 66.02 66.36 2cr5 s SER 66 CO 0.03 -0.38 1.23 0.42 0.98 0.00 0.00 173.24 175.52 2cr5 s THR 67 N -1.87 1.89 0.49 2.02 -4.23 -1.05 -1.15 115.64 111.74 2cr5 s THR 67 Ca -0.12 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.34 2cr5 s THR 67 Cb -0.06 -2.83 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 2cr5 s THR 67 CO -0.02 0.00 0.80 -0.94 -0.54 0.00 0.00 174.62 173.92 2cr5 s SER 68 N -4.47 6.21 -0.28 3.99 1.04 -1.25 -4.09 113.70 114.84 2cr5 s SER 68 Ca 0.71 0.91 -0.38 0.00 0.48 0.00 0.00 55.95 57.67 2cr5 s SER 68 Cb -0.08 -2.20 -0.17 0.00 0.10 0.00 0.00 66.02 63.67 2cr5 s SER 68 CO 0.54 -0.62 1.22 0.33 0.98 0.00 0.00 173.24 175.68 2cr5 n PHE 69 N -2.29 1.17 -2.21 5.02 7.35 -1.26 -3.64 117.46 121.61 2cr5 n PHE 69 Ca 0.01 0.97 -0.42 0.00 -0.76 0.00 0.00 57.45 57.25 2cr5 n PHE 69 Cb 0.55 -1.89 -0.03 0.00 0.35 0.00 0.00 39.48 38.47 2cr5 n PHE 69 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2cr5 s PRO 70 N 1.66 4.35 0.30 -7.13 0.04 -1.26 -5.12 135.00 127.84 2cr5 s PRO 70 Ca 0.87 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.65 2cr5 s PRO 70 Cb -1.23 -3.24 -0.10 0.00 0.04 0.00 0.00 34.50 29.97 2cr5 s PRO 70 CO 0.63 -0.37 1.33 0.50 0.04 0.00 0.00 177.00 179.13 2cr5 s ARG 71 N 0.78 4.35 0.02 4.56 3.52 -1.24 -4.83 118.95 126.11 2cr5 s ARG 71 Ca 0.62 2.21 -0.19 0.00 -0.13 0.00 0.00 55.73 58.24 2cr5 s ARG 71 Cb -0.36 -3.09 0.04 0.00 -1.56 0.00 0.00 34.95 29.97 2cr5 s ARG 71 CO 0.32 -0.23 0.42 1.03 -0.81 0.00 0.00 175.30 176.03 2cr5 s ARG 72 N -1.35 0.87 -0.19 5.12 0.52 -1.26 -4.98 118.95 117.69 2cr5 s ARG 72 Ca 0.52 -0.23 -0.29 0.00 -0.52 0.00 0.00 55.73 55.21 2cr5 s ARG 72 Cb -0.40 0.39 0.00 0.00 0.52 0.00 0.00 34.95 35.47 2cr5 s ARG 72 CO 0.49 -0.28 1.00 0.00 0.02 0.00 0.00 175.30 176.53 2cr5 s ALA 73 N -1.99 3.58 0.08 2.13 0.00 -1.26 -2.51 121.76 121.79 2cr5 s ALA 73 Ca -0.08 0.21 -0.07 0.00 0.00 0.00 0.00 51.96 52.02 2cr5 s ALA 73 Cb -0.02 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 2cr5 s ALA 73 CO 0.01 -0.87 0.34 -0.51 0.00 0.00 0.00 175.76 174.73 2cr5 s LEU 74 N 2.72 4.33 -0.32 0.00 1.43 -0.96 -4.98 118.68 120.91 2cr5 s LEU 74 Ca 0.44 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 54.18 2cr5 s LEU 74 Cb -0.16 -3.00 0.07 0.00 0.03 0.00 0.00 46.19 43.14 2cr5 s LEU 74 CO 0.10 0.16 0.03 -1.61 0.23 0.00 0.00 176.35 175.26 2cr5 s GLU 75 N -2.14 2.10 -0.10 1.70 2.02 -1.26 -4.70 118.70 116.32 2cr5 s GLU 75 Ca 0.34 -1.53 -0.30 0.00 0.02 0.00 0.00 54.97 53.51 2cr5 s GLU 75 Cb -0.13 -3.21 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 2cr5 s GLU 75 CO 0.20 -0.77 1.44 0.14 0.02 0.00 0.00 175.26 176.29 2cr5 s VAL 76 N 1.12 3.92 -0.14 2.63 -7.23 -1.26 -5.01 120.40 114.43 2cr5 s VAL 76 Ca 0.00 1.14 -0.03 0.00 -1.81 0.00 0.00 61.98 61.28 2cr5 s VAL 76 Cb -0.20 -3.73 -0.03 0.00 0.56 0.00 0.00 36.38 32.98 2cr5 s VAL 76 CO -0.04 -0.09 -0.04 -0.70 -0.31 0.00 0.00 175.10 173.93 2cr5 s GLU 77 N 3.56 3.54 0.53 4.82 2.12 -1.26 -4.97 118.70 127.03 2cr5 s GLU 77 Ca 0.64 -0.51 0.29 0.00 0.36 0.00 0.00 54.97 55.74 2cr5 s GLU 77 Cb -0.28 -2.87 1.47 0.00 0.26 0.00 0.00 34.13 32.71 2cr5 s GLU 77 CO 0.22 0.32 2.07 0.78 -0.54 0.00 0.00 175.26 178.11 2cr5 h GLY 78 N 6.45 0.00 0.41 -1.50 0.00 -1.99 -3.10 103.07 103.34 2cr5 h GLY 78 Ca -0.34 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.80 2cr5 h GLY 78 CO 0.61 0.00 -0.93 -1.33 0.00 0.00 0.00 176.54 174.89 2cr5 h GLY 79 N 0.97 0.21 -4.61 4.60 0.00 -2.02 -3.45 103.07 98.76 2cr5 h GLY 79 Ca -0.00 -0.53 -0.55 0.00 0.00 0.00 0.00 47.33 46.26 2cr5 h GLY 79 CO 0.01 0.46 0.56 -0.45 0.00 0.00 0.00 176.54 177.13 2cr5 s SER 80 N -6.83 7.17 0.93 0.19 0.15 -1.17 -5.04 113.70 109.10 2cr5 s SER 80 Ca -0.19 1.77 -0.15 0.00 0.70 0.00 0.00 55.95 58.08 2cr5 s SER 80 Cb 0.02 -2.57 0.18 0.00 -1.71 0.00 0.00 66.02 61.95 2cr5 s SER 80 CO 0.75 -0.45 1.29 -0.94 1.20 0.00 0.00 173.24 175.08 2cr5 s SER 81 N 1.19 3.35 0.13 5.45 1.04 -1.26 -4.20 113.70 119.40 2cr5 s SER 81 Ca 0.54 0.30 -0.19 0.00 0.48 0.00 0.00 55.95 57.08 2cr5 s SER 81 Cb -0.24 -0.42 -0.03 0.00 0.10 0.00 0.00 66.02 65.44 2cr5 s SER 81 CO 0.24 -2.59 1.73 -0.07 0.98 0.00 0.00 173.24 173.54 2cr5 h LEU 82 N -1.51 -0.04 -1.47 2.42 3.38 -1.56 0.21 115.31 116.73 2cr5 h LEU 82 Ca -0.44 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 2cr5 h LEU 82 Cb 1.25 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 2cr5 h LEU 82 CO 0.42 0.01 -0.23 -0.08 0.09 0.00 0.00 178.44 178.64 2cr5 h GLU 83 N 0.09 0.00 -0.11 1.13 4.81 -1.67 0.14 114.58 118.97 2cr5 h GLU 83 Ca 0.10 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 2cr5 h GLU 83 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2cr5 h GLU 83 CO -0.15 0.23 -0.32 -0.44 -0.73 0.00 0.00 179.01 177.60 2cr5 h ASP 84 N 0.00 0.47 0.38 1.04 5.19 -1.58 -3.20 116.42 118.73 2cr5 h ASP 84 Ca -0.00 -0.60 -0.08 0.00 -0.62 0.00 0.00 57.03 55.73 2cr5 h ASP 84 Cb 0.56 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 2cr5 h ASP 84 CO 0.03 0.99 -0.39 0.16 -3.12 0.00 0.00 179.24 176.91 2cr5 h ILE 85 N -0.02 1.28 0.00 0.35 3.07 -0.84 -3.46 117.51 117.88 2cr5 h ILE 85 Ca -0.01 -1.33 0.00 0.00 1.55 0.00 0.00 64.86 65.07 2cr5 h ILE 85 Cb 0.94 1.71 0.00 0.00 -0.27 0.00 0.00 36.82 39.20 2cr5 h ILE 85 CO 0.07 0.38 0.00 0.61 -1.05 0.00 0.00 178.15 178.16 2cr5 n GLY 86 N -0.41 0.59 2.32 0.16 0.00 -0.88 -5.10 105.19 101.88 2cr5 n GLY 86 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 2cr5 n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cr5 n ILE 87 N 0.00 0.89 0.22 -0.61 2.08 0.44 -4.83 119.36 117.55 2cr5 n ILE 87 Ca 0.00 -4.66 0.05 0.00 0.56 0.00 0.00 62.75 58.71 2cr5 n ILE 87 Cb 0.00 -1.94 -0.08 0.00 -0.75 0.00 0.00 39.64 36.87 2cr5 n ILE 87 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2cr5 n THR 88 N 1.04 0.00 -4.26 1.39 -2.24 -1.26 -3.93 114.28 105.02 2cr5 n THR 88 Ca 0.26 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 2cr5 n THR 88 Cb 0.47 0.57 -0.10 0.00 -2.10 0.00 0.00 70.33 69.17 2cr5 n THR 88 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2cr5 s VAL 89 N -2.46 0.81 -0.03 2.28 -7.23 -1.26 -4.82 120.40 107.69 2cr5 s VAL 89 Ca -0.01 -2.00 -0.32 0.00 -1.81 0.00 0.00 61.98 57.84 2cr5 s VAL 89 Cb 0.08 -2.11 -0.16 0.00 0.56 0.00 0.00 36.38 34.74 2cr5 s VAL 89 CO 0.46 -0.50 0.89 -0.90 -0.31 0.00 0.00 175.10 174.74 2cr5 n ASP 90 N -0.26 0.08 -3.79 4.85 5.68 -1.26 -4.76 116.55 117.08 2cr5 n ASP 90 Ca -0.07 0.93 -0.12 0.00 -0.50 0.00 0.00 54.79 55.02 2cr5 n ASP 90 Cb 0.63 -0.73 -0.09 0.00 -1.14 0.00 0.00 41.12 39.79 2cr5 n ASP 90 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2cr5 s THR 91 N 0.21 0.07 -0.14 2.12 2.01 -1.07 -5.00 115.64 113.84 2cr5 s THR 91 Ca 0.74 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 62.17 2cr5 s THR 91 Cb -1.03 -0.63 0.02 0.00 0.01 0.00 0.00 72.50 70.87 2cr5 s THR 91 CO 0.47 -0.31 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.25 2cr5 s VAL 92 N -1.56 1.58 0.63 3.82 1.01 -1.26 -2.59 120.40 122.03 2cr5 s VAL 92 Ca -0.12 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 61.28 2cr5 s VAL 92 Cb -0.05 -1.48 0.10 0.00 0.00 0.00 0.00 36.38 34.96 2cr5 s VAL 92 CO 0.02 0.46 0.86 -0.76 0.00 0.00 0.00 175.10 175.69 2cr5 s LEU 93 N 1.40 3.05 -0.07 3.92 1.43 0.12 -3.92 118.68 124.61 2cr5 s LEU 93 Ca 0.03 -0.73 -0.07 0.00 -1.03 0.00 0.00 54.13 52.33 2cr5 s LEU 93 Cb -0.13 -1.68 0.02 0.00 0.03 0.00 0.00 46.19 44.43 2cr5 s LEU 93 CO -0.09 -1.53 0.19 0.20 0.23 0.00 0.00 176.35 175.35 2cr5 s ASN 94 N -4.70 -0.19 -0.33 2.29 -0.87 -0.30 -2.51 114.94 108.32 2cr5 s ASN 94 Ca 0.64 0.34 -0.13 0.00 -1.57 0.00 0.00 52.86 52.14 2cr5 s ASN 94 Cb -0.05 0.38 -0.02 0.00 -0.02 0.00 0.00 41.25 41.54 2cr5 s ASN 94 CO 0.41 -0.10 0.23 -0.69 -2.57 0.00 0.00 177.10 174.39 2cr5 s VAL 95 N -0.03 5.27 0.21 1.60 1.01 -0.95 -1.77 120.40 125.74 2cr5 s VAL 95 Ca -0.01 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 61.86 2cr5 s VAL 95 Cb -0.02 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 2cr5 s VAL 95 CO 0.00 0.02 -0.15 -1.83 0.00 0.00 0.00 175.10 173.14 2cr5 s GLU 96 N 1.72 1.35 0.47 2.72 -1.05 -1.08 -4.08 118.70 118.75 2cr5 s GLU 96 Ca 0.06 -1.60 -0.22 0.00 -0.15 0.00 0.00 54.97 53.07 2cr5 s GLU 96 Cb -0.17 -1.17 -0.08 0.00 -0.44 0.00 0.00 34.13 32.27 2cr5 s GLU 96 CO 0.10 0.20 1.10 -1.21 0.95 0.00 0.00 175.26 176.40 2cr5 s GLU 97 N -3.61 3.76 0.67 -4.83 0.41 -1.26 -0.70 118.70 113.13 2cr5 s GLU 97 Ca 0.23 1.58 -0.04 0.00 -0.41 0.00 0.00 54.97 56.32 2cr5 s GLU 97 Cb -0.01 -2.26 0.06 0.00 -1.78 0.00 0.00 34.13 30.13 2cr5 s GLU 97 CO 0.07 -0.50 0.95 0.15 -0.49 0.00 0.00 175.26 175.44 2cr5 s LYS 98 N -2.92 2.26 -0.20 1.61 1.02 -0.98 -4.75 119.74 115.77 2cr5 s LYS 98 Ca 0.65 -0.43 -0.22 0.00 0.02 0.00 0.00 55.97 55.99 2cr5 s LYS 98 Cb -0.23 -2.26 -0.02 0.00 -0.52 0.00 0.00 37.83 34.80 2cr5 s LYS 98 CO 0.28 -1.12 0.71 -2.00 -0.92 0.00 0.00 175.35 172.30 2cr5 s GLU 99 N -5.12 4.22 -0.21 1.68 2.12 -1.26 -4.95 118.70 115.18 2cr5 s GLU 99 Ca 0.60 0.76 -0.19 0.00 0.36 0.00 0.00 54.97 56.50 2cr5 s GLU 99 Cb -0.10 -3.60 -0.19 0.00 0.26 0.00 0.00 34.13 30.50 2cr5 s GLU 99 CO 0.43 -0.33 0.16 0.94 -0.54 0.00 0.00 175.26 175.93 2cr5 n GLN 100 N 5.32 0.59 -3.53 4.30 7.27 -1.26 -4.70 117.38 125.38 2cr5 n GLN 100 Ca 0.01 0.50 -0.41 0.00 0.07 0.00 0.00 57.00 57.18 2cr5 n GLN 100 Cb 0.49 -1.71 -0.05 0.00 2.41 0.00 0.00 30.24 31.37 2cr5 n GLN 100 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2cr5 s SER 101 N -6.95 6.10 0.03 1.69 0.15 -1.26 -5.05 113.70 108.42 2cr5 s SER 101 Ca -0.29 -3.04 -0.30 0.00 0.70 0.00 0.00 55.95 53.02 2cr5 s SER 101 Cb 0.07 -2.02 -0.05 0.00 -1.71 0.00 0.00 66.02 62.30 2cr5 s SER 101 CO 0.60 -0.40 1.23 -0.55 1.20 0.00 0.00 173.24 175.33 2cr5 s SER 102 N 1.10 7.03 -0.07 5.45 0.15 -1.26 -5.02 113.70 121.08 2cr5 s SER 102 Ca 0.21 2.00 -0.10 0.00 0.70 0.00 0.00 55.95 58.76 2cr5 s SER 102 Cb -0.13 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 61.56 2cr5 s SER 102 CO -0.07 -0.53 0.25 -1.58 1.20 0.00 0.00 173.24 172.51 2cr5 s GLN 103 N 1.46 3.64 0.20 5.44 0.74 -1.26 -5.10 119.66 124.78 2cr5 s GLN 103 Ca 0.59 0.10 -0.02 0.00 0.05 0.00 0.00 55.36 56.08 2cr5 s GLN 103 Cb -0.29 -3.20 -0.05 0.00 1.10 0.00 0.00 33.01 30.57 2cr5 s GLN 103 CO 0.27 0.74 0.40 -1.12 -0.55 0.00 0.00 175.29 175.04 2cr5 s SER 104 N -1.06 6.41 0.17 6.67 0.01 -1.26 -5.11 113.70 119.53 2cr5 s SER 104 Ca 0.19 0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.91 2cr5 s SER 104 Cb -0.14 -2.04 0.00 0.00 0.21 0.00 0.00 66.02 64.05 2cr5 s SER 104 CO 0.08 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.30 2cr5 n GLY 105 N -0.54 0.46 0.17 3.44 0.00 -1.26 -4.95 105.19 102.51 2cr5 n GLY 105 Ca -0.04 -1.85 0.02 0.00 0.00 0.00 0.00 46.02 44.15 2cr5 n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr5 h PRO 106 N 0.00 0.00 0.00 1.61 0.13 -2.06 -3.32 132.00 128.36 2cr5 h PRO 106 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.83 2cr5 h PRO 106 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2cr5 h PRO 106 CO 0.00 0.46 -2.13 0.45 -0.23 0.00 0.00 178.00 176.56 2cr5 n SER 107 N -3.92 2.46 -4.03 1.44 2.88 -1.26 -4.99 113.62 106.21 2cr5 n SER 107 Ca -0.01 -0.11 -0.32 0.00 -1.33 0.00 0.00 58.87 57.10 2cr5 n SER 107 Cb 0.49 -0.31 -0.07 0.00 -0.75 0.00 0.00 64.21 63.57 2cr5 n SER 107 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2cr5 n SER 108 N -3.08 -0.61 0.00 -3.46 3.41 -1.25 -5.20 113.62 103.42 2cr5 n SER 108 Ca -0.35 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 2cr5 n SER 108 Cb 0.87 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 2cr5 n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49